G4VGP6_SCHMA Loading...

Varsurf_PPLC domain-containing protein

AlphaFold DB , UniProt , Accession G4VGP6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 326 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M73.8Confident94.1Very high241 Ų24160.1 Ų60.1100%1.18731%0.307SS*.  01310-167.6-177.2-67.200106.4N3M1-N3 PolarHBondContact O-N 3.43Å
2I91.4Very high94.3Very high38 Ų3858.6 Ų58.620%0.19531%0.305CS..  trans-73.1122.6-178.5-67.7158.2000108.1P4 W7 R309 V312 Y316I2-P4 WeakPolarHBondContact O-CD 3.42Å; I2-W7 HydrophobicContact CG2-CB 3.92Å; I2-R309 HydrophobicContact CD1-CG 4.08Å; I2-V312 HydrophobicContact CD1-CB 3.9Å; I2-V312 HydrophobicContact CD1-CG1 3.62Å; I2-V312 HydrophobicContact CG1-CG1 3.92Å; I2-V312 HydrophobicContact CG2-CB 4.31Å; I2-V312 HydrophobicContact CG2-CG1 3.9Å; I2-Y316 HydrophobicContact CD1-CE2 4.42Å; I2-Y316 HydrophobicContact CG1-CE2 4.26Å
3N95.3Very high94.4Very high77 Ų7759.3 Ų59.341%0.41232%0.324SS..  trans-86.7111.2170.1-178.3-1.5000108.9M1 R5 S6 W7M1-N3 PolarHBondContact O-N 3.43Å; N3-R5 PolarHBondContact O-N 2.9Å; N3-R5 PolarHBondContact OD1-N 2.84Å; N3-S6 PolarHBondContact ND2-OG 3.24Å; N3-S6 PolarHBondContact O-N 2.86Å; N3-W7 WeakPolarHBondContact O-CA 3.42Å; N3-W7 WeakPolarHBondContact O-CB 3.33Å; N3-W7 PolarHBondContact O-N 3.43Å
4P94.8Very high94.4Very high53 Ų5359.2 Ų59.234%0.34432%0.32SS..G310 helixtrans-59.5-32.9-175.5-21.632.5000113.6I2 S6 A81 G82 I308I2-P4 WeakPolarHBondContact O-CD 3.42Å; P4-S6 VanDerWaalsContact C-N 3.34Å; P4-S6 PolarHBondContact O-N 3.44Å; P4-A81 VanDerWaalsContact CB-O 3.29Å; P4-A81 WeakPolarHBondContact CB-O 3.39Å; P4-G82 WeakPolarHBondContact O-CA 3.41Å; P4-I308 HydrophobicContact CB-CG2 4.42Å
5R95.7Very high94.6Very high110 Ų11055.3 Ų55.342%0.41530%0.299SS..G310 helixtrans-69.4-29.6-177.2-172.1178.6-160.1-169.68.5113.6N3 E80 R84 F128N3-R5 PolarHBondContact O-N 2.9Å; N3-R5 PolarHBondContact OD1-N 2.84Å; R5-E80 WeakPolarHBondContact CD-OE2 3.49Å; R5-E80 VanDerWaalsContact CG-OE2 3.28Å; R5-E80 WeakPolarHBondContact CG-OE2 3.36Å; R5-E80 IonicContact CZ-OE1 3.48Å; R5-E80 IonicContact CZ-OE2 3.32Å; R5-E80 IonicContact NE-OE1 2.75Å; R5-E80 PolarHBondContact NE-OE1 3.24Å; R5-E80 IonicContact NE-OE2 3.8Å; R5-E80 PolarHBondContact NE-OE2 2.85Å; R5-E80 IonicContact NH2-OE1 3.72Å; R5-E80 PolarHBondContact NH2-OE1 2.95Å; R5-E80 IonicContact NH2-OE2 3.93Å; R5-R84 PolarHBondContact O-NH2 3.17Å; R5-F128 HydrophobicContact CG-CE2 4.4Å
6S97Very high94.8Very high21 Ų2152.1 Ų52.115%0.14728%0.283CS..G310 helixtrans-132.222.5-169.959.90000113.5N3 P4 M8 S9 D10 E135N3-S6 PolarHBondContact ND2-OG 3.24Å; N3-S6 PolarHBondContact O-N 2.86Å; P4-S6 VanDerWaalsContact C-N 3.34Å; P4-S6 PolarHBondContact O-N 3.44Å; S6-M8 VanDerWaalsContact C-N 3.26Å; S6-M8 PolarHBondContact O-N 3.47Å; S6-S9 WeakPolarHBondContact O-CB 3.45Å; S6-S9 PolarHBondContact O-N 2.78Å; S6-D10 VanDerWaalsContact O-CG 3.25Å; S6-D10 PolarHBondContact O-N 3.35Å; S6-D10 PolarHBondContact OG-OD2 3.5Å; S6-E135 WeakPolarHBondContact CA-OE1 3.36Å
7W97.9Very high94.9Very high1 Ų154.7 Ų54.70%0.00429%0.292CS..THydrogen-bonded Turntrans-63.7-30.2-166.273.8-94.4000113.3I2 N3 D10 L11 I25 P26 G82 R84 V312I2-W7 HydrophobicContact CG2-CB 3.92Å; N3-W7 WeakPolarHBondContact O-CA 3.42Å; N3-W7 WeakPolarHBondContact O-CB 3.33Å; N3-W7 PolarHBondContact O-N 3.43Å; W7-D10 PolarHBondContact O-N 3.43Å; W7-L11 HydrophobicContact CE3-CD1 4.27Å; W7-L11 HydrophobicContact CE3-CD2 4.16Å; W7-L11 HydrophobicContact CE3-CG 4.19Å; W7-L11 HydrophobicContact CZ3-CD1 3.88Å; W7-L11 HydrophobicContact CZ3-CD2 4.26Å; W7-L11 HydrophobicContact CZ3-CG 4.27Å; W7-L11 WeakPolarHBondContact O-CG 3.44Å; W7-L11 PolarHBondContact O-N 3.21Å; W7-I25 HydrophobicContact CH2-CG1 4.35Å; W7-I25 HydrophobicContact CZ2-CG2 4.49Å; W7-P26 HydrophobicContact CZ2-CG 4.24Å; W7-G82 PolarHBondContact NE1-O 2.93Å; W7-R84 HydrophobicContact CZ2-CB 4.21Å; W7-R84 HydrophobicContact CZ2-CG 3.86Å; W7-V312 HydrophobicContact CD2-CG1 4.28Å; W7-V312 HydrophobicContact CD2-CG2 3.57Å; W7-V312 HydrophobicContact CE3-CB 4.38Å; W7-V312 HydrophobicContact CE3-CG1 3.79Å; W7-V312 HydrophobicContact CE3-CG2 3.68Å; W7-V312 HydrophobicContact CG-CG2 3.98Å; W7-V312 HydrophobicContact CH2-CG2 4.39Å; W7-V312 HydrophobicContact CZ2-CG2 4.31Å; W7-V312 HydrophobicContact CZ3-CG1 4.38Å; W7-V312 HydrophobicContact CZ3-CG2 4.07Å
8M98.4Very high95Very high0 Ų055.6 Ų55.60%029%0.293CS..THydrogen-bonded Turntrans-70.5-39.9176.3-72-176.9158.900111.4S6 D10 L11 I25 R84 E135 V136 L178S6-M8 VanDerWaalsContact C-N 3.26Å; S6-M8 PolarHBondContact O-N 3.47Å; M8-D10 PolarHBondContact O-N 3.23Å; M8-L11 WeakPolarHBondContact O-CB 3.48Å; M8-L11 PolarHBondContact O-N 3.08Å; M8-I25 HydrophobicContact CE-CD1 4.41Å; M8-I25 HydrophobicContact CE-CG1 4.31Å; M8-I25 HydrophobicContact CE-CG2 4.29Å; M8-R84 HydrophobicContact CE-CB 3.62Å; M8-R84 HydrophobicContact CE-CG 3.78Å; M8-R84 HydrophobicContact CG-CG 4.4Å; M8-R84 HydrophobicContact SD-CB 4.31Å; M8-R84 HydrophobicContact SD-CG 3.89Å; M8-E135 PolarHBondContact N-OE1 2.71Å; M8-E135 PolarHBondContact N-OE2 2.81Å; M8-V136 HydrophobicContact SD-CB 3.78Å; M8-V136 PolarHBondContact SD-N 3.09Å; M8-L178 HydrophobicContact CB-CD1 4.32Å; M8-L178 HydrophobicContact CB-CD2 4.41Å; M8-L178 HydrophobicContact SD-CD2 4.02Å
9S97.4Very high95.2Very high23 Ų2353.7 Ų53.716%0.16129%0.286CS..THydrogen-bonded Turntrans-61.7-33.8175-54.80000112.5S6 R134 E135S6-S9 WeakPolarHBondContact O-CB 3.45Å; S6-S9 PolarHBondContact O-N 2.78Å; S9-R134 PolarHBondContact O-NH1 2.98Å; S9-R134 PolarHBondContact O-NH2 2.85Å; S9-R134 WeakPolarHBondContact OG-CB 2.83Å; S9-E135 WeakPolarHBondContact CB-OE1 3.37Å; S9-E135 PolarHBondContact N-OE1 3.35Å; S9-E135 PolarHBondContact OG-OE1 3.47Å
10D97Very high95.4Very high87 Ų8751 Ų5147%0.46527%0.272SS..THydrogen-bonded Turntrans-88.3-1.9-176.6-61.7-28.6000113.3S6 W7 M8S6-D10 VanDerWaalsContact O-CG 3.25Å; S6-D10 PolarHBondContact O-N 3.35Å; S6-D10 PolarHBondContact OG-OD2 3.5Å; W7-D10 PolarHBondContact O-N 3.43Å; M8-D10 PolarHBondContact O-N 3.23Å
11L97Very high95.5Very high10 Ų1048.7 Ų48.75%0.05226%0.26CS..SBendtrans-64.4134174.8-73.3179.4000110.6W7 M8 I15 I23 L178 Y316W7-L11 HydrophobicContact CE3-CD1 4.27Å; W7-L11 HydrophobicContact CE3-CD2 4.16Å; W7-L11 HydrophobicContact CE3-CG 4.19Å; W7-L11 HydrophobicContact CZ3-CD1 3.88Å; W7-L11 HydrophobicContact CZ3-CD2 4.26Å; W7-L11 HydrophobicContact CZ3-CG 4.27Å; W7-L11 WeakPolarHBondContact O-CG 3.44Å; W7-L11 PolarHBondContact O-N 3.21Å; M8-L11 WeakPolarHBondContact O-CB 3.48Å; M8-L11 PolarHBondContact O-N 3.08Å; L11-I15 HydrophobicContact CD1-CG2 4.14Å; L11-I15 HydrophobicContact CD2-CG2 4.1Å; L11-I23 HydrophobicContact CD1-CD1 4.38Å; L11-L178 HydrophobicContact CD1-CD1 3.76Å; L11-Y316 HydrophobicContact CD2-CE2 4.26Å
12P95.9Very high96.6Very high42 Ų4239 Ų3927%0.27321%0.213SC..  trans-57.6149.7169.3-24.934.6000112.1H14 I15 S16 Y316P12-H14 VanDerWaalsContact C-N 3.27Å; P12-H14 VanDerWaalsContact CB-CE1 3.42Å; P12-H14 WeakPolarHBondContact CB-CE1 3.37Å; P12-H14 VanDerWaalsContact CB-ND1 3.33Å; P12-H14 WeakPolarHBondContact CB-ND1 3.22Å; P12-H14 PolarHBondContact O-N 3Å; P12-I15 HydrophobicContact CG-CD1 4.43Å; P12-I15 WeakPolarHBondContact O-CA 3.43Å; P12-I15 PolarHBondContact O-N 2.83Å; P12-S16 PolarHBondContact O-N 3.21Å; P12-Y316 HydrophobicContact CG-CE1 3.97Å
13A95.3Very high96.9Very high68 Ų6837.2 Ų37.256%0.56220%0.203SC*.Hα-helixtrans-53.1-41.4-177.600000113.2I15 S16 Q17A13-I15 PolarHBondContact O-N 3.36Å; A13-I15 VanDerWaalsContact O-N 3.14Å; A13-S16 WeakPolarHBondContact CA-OG 3.44Å; A13-S16 PolarHBondContact O-N 3.04Å; A13-S16 PolarHBondContact O-OG 3.48Å; A13-Q17 VanDerWaalsContact O-CB 3.23Å; A13-Q17 WeakPolarHBondContact O-CB 3.39Å; A13-Q17 WeakPolarHBondContact O-CG 3.49Å; A13-Q17 PolarHBondContact O-N 3.37Å
14H95.3Very high97.1Very high58 Ų5833.6 Ų33.627%0.26918%0.184SC..Hα-helixtrans-66-18.6-179.471.5-76.3000113.7P12 K18 W319P12-H14 VanDerWaalsContact C-N 3.27Å; P12-H14 VanDerWaalsContact CB-CE1 3.42Å; P12-H14 WeakPolarHBondContact CB-CE1 3.37Å; P12-H14 VanDerWaalsContact CB-ND1 3.33Å; P12-H14 WeakPolarHBondContact CB-ND1 3.22Å; P12-H14 PolarHBondContact O-N 3Å; H14-K18 VanDerWaalsContact O-CE 3.26Å; H14-K18 WeakPolarHBondContact O-CE 3.29Å; H14-W319 PolarHBondContact NE2-O 3.24Å
15I97.3Very high97.3Very high0 Ų031 Ų310%017%0.167CC..Hα-helixtrans-93-45.7171.9-52-171.4000110.6L11 P12 A13 Q17 K18 I23 N315 Y316 W319L11-I15 HydrophobicContact CD1-CG2 4.14Å; L11-I15 HydrophobicContact CD2-CG2 4.1Å; P12-I15 HydrophobicContact CG-CD1 4.43Å; P12-I15 WeakPolarHBondContact O-CA 3.43Å; P12-I15 PolarHBondContact O-N 2.83Å; A13-I15 PolarHBondContact O-N 3.36Å; A13-I15 VanDerWaalsContact O-N 3.14Å; I15-Q17 PolarHBondContact O-N 3.4Å; I15-K18 VanDerWaalsContact O-CB 3.31Å; I15-K18 WeakPolarHBondContact O-CB 3.26Å; I15-K18 WeakPolarHBondContact O-CG 3.03Å; I15-K18 PolarHBondContact O-N 3.34Å; I15-I23 HydrophobicContact CG2-CG2 4.1Å; I15-N315 HydrophobicContact CD1-CB 4.41Å; I15-N315 HydrophobicContact CG2-CB 3.98Å; I15-Y316 HydrophobicContact CD1-CD1 4Å; I15-Y316 HydrophobicContact CD1-CE1 4.3Å; I15-Y316 HydrophobicContact CD1-CG 4.35Å; I15-W319 HydrophobicContact CD1-CB 4.5Å; I15-W319 HydrophobicContact CG1-CB 4.07Å; I15-W319 HydrophobicContact CG2-CE3 4.15Å
16S96.7Very high97.4Very high5 Ų525.8 Ų25.84%0.03515%0.148CC..Hα-helixtrans-67.2-19.6-177.869.80000113.7P12 A13 K18 L178P12-S16 PolarHBondContact O-N 3.21Å; A13-S16 WeakPolarHBondContact CA-OG 3.44Å; A13-S16 PolarHBondContact O-N 3.04Å; A13-S16 PolarHBondContact O-OG 3.48Å; S16-K18 VanDerWaalsContact C-N 3.28Å; S16-L178 PolarHBondContact O-N 3.4Å
17Q97Very high97.5Very high96 Ų9624.8 Ų24.845%0.44914%0.141SC..THydrogen-bonded Turntrans-83.52.6172.8-64.7-68.7-40.600113.4A13 I15 I177A13-Q17 VanDerWaalsContact O-CB 3.23Å; A13-Q17 WeakPolarHBondContact O-CB 3.39Å; A13-Q17 WeakPolarHBondContact O-CG 3.49Å; A13-Q17 PolarHBondContact O-N 3.37Å; I15-Q17 PolarHBondContact O-N 3.4Å; Q17-I177 WeakPolarHBondContact O-CG2 3.48Å
18K97.6Very high97.6Very high70 Ų7024.8 Ų24.830%0.30414%0.14SC..SBendtrans-83.9143.8168.2-56.2-60176.5-174.60109.3H14 I15 S16 L22 I23 W319H14-K18 VanDerWaalsContact O-CE 3.26Å; H14-K18 WeakPolarHBondContact O-CE 3.29Å; I15-K18 VanDerWaalsContact O-CB 3.31Å; I15-K18 WeakPolarHBondContact O-CB 3.26Å; I15-K18 WeakPolarHBondContact O-CG 3.03Å; I15-K18 PolarHBondContact O-N 3.34Å; S16-K18 VanDerWaalsContact C-N 3.28Å; K18-L22 HydrophobicContact CB-CB 4.27Å; K18-I23 HydrophobicContact CB-CG2 3.83Å; K18-W319 HydrophobicContact CD-CZ2 4.27Å; K18-W319 HydrophobicContact CG-CD2 4.24Å; K18-W319 HydrophobicContact CG-CH2 4.33Å; K18-W319 HydrophobicContact CG-CZ2 4.02Å
19A98.1Very high97.5Very high20 Ų2025.5 Ų25.517%0.16514%0.144CC..BIsolated β-bridgetrans-56.6145.3173.400000110.1N21 L22 I23 I175A19-N21 VanDerWaalsContact CB-OD1 3.22Å; A19-N21 WeakPolarHBondContact CB-OD1 3.39Å; A19-N21 PolarHBondContact O-N 3.39Å; A19-N21 VanDerWaalsContact O-N 3.1Å; A19-L22 HydrophobicContact CB-CD1 4.23Å; A19-L22 HydrophobicContact CB-CG 4.2Å; A19-L22 WeakPolarHBondContact O-CA 3.44Å; A19-L22 WeakPolarHBondContact O-CB 3.48Å; A19-L22 PolarHBondContact O-N 3.03Å; A19-I23 PolarHBondContact O-N 3.25Å; A19-I175 HydrophobicContact CB-CB 4.49Å; A19-I175 HydrophobicContact CB-CG2 4.48Å
20L98.7Very high97.6Very high0 Ų024.4 Ų24.40%014%0.136CC..THydrogen-bonded Turntrans-60.5-24.2-175.7-74.2173.8000113.3L22 I23 I25 V136 I175 P176 L178 L181 I189 F243 N293L20-L22 PolarHBondContact O-N 2.9Å; L20-I23 HydrophobicContact CD2-CD1 3.79Å; L20-I23 HydrophobicContact CD2-CG1 4.41Å; L20-I25 HydrophobicContact CD2-CD1 4.42Å; L20-V136 HydrophobicContact CD1-CG1 4.23Å; L20-I175 HydrophobicContact CB-CG2 3.82Å; L20-P176 HydrophobicContact CD1-CG 4.34Å; L20-P176 WeakPolarHBondContact CG-O 3.38Å; L20-P176 PolarHBondContact N-O 2.8Å; L20-L178 HydrophobicContact CD2-CD2 3.69Å; L20-L178 HydrophobicContact CD2-CG 3.82Å; L20-L181 HydrophobicContact CD1-CD1 3.98Å; L20-I189 HydrophobicContact CD1-CD1 3.65Å; L20-F243 HydrophobicContact CB-CE1 3.67Å; L20-F243 HydrophobicContact CB-CZ 4.13Å; L20-N293 PolarHBondContact O-ND2 3.37Å
21N98Very high97.6Very high3 Ų320.2 Ų20.22%0.01611%0.114CC..THydrogen-bonded Turntrans-78.5-6.8173.769.1-24.9000113A19 I175 R238 P239 D240 T242 F243 N293A19-N21 VanDerWaalsContact CB-OD1 3.22Å; A19-N21 WeakPolarHBondContact CB-OD1 3.39Å; A19-N21 PolarHBondContact O-N 3.39Å; A19-N21 VanDerWaalsContact O-N 3.1Å; N21-I175 HydrophobicContact CB-CB 4.12Å; N21-I175 HydrophobicContact CB-CG1 3.89Å; N21-I175 HydrophobicContact CB-CG2 3.86Å; N21-R238 WeakPolarHBondContact O-CD 3.33Å; N21-R238 PolarHBondContact O-NH1 2.95Å; N21-P239 PolarHBondContact ND2-O 2.77Å; N21-D240 PolarHBondContact ND2-O 3.12Å; N21-T242 WeakPolarHBondContact CB-O 3.35Å; N21-T242 PolarHBondContact ND2-O 3.08Å; N21-F243 HydrophobicContact CB-CD1 4.01Å; N21-F243 HydrophobicContact CB-CE1 4.37Å; N21-N293 WeakPolarHBondContact CA-ND2 3.44Å
22L97.5Very high97.7Very high38 Ų3819.8 Ų19.820%0.19911%0.111CC..THydrogen-bonded Turntrans-95.4-34.2175.3-59.9-179.6000111.2K18 A19 L20 A287 G288 P289 W319K18-L22 HydrophobicContact CB-CB 4.27Å; A19-L22 HydrophobicContact CB-CD1 4.23Å; A19-L22 HydrophobicContact CB-CG 4.2Å; A19-L22 WeakPolarHBondContact O-CA 3.44Å; A19-L22 WeakPolarHBondContact O-CB 3.48Å; A19-L22 PolarHBondContact O-N 3.03Å; L20-L22 PolarHBondContact O-N 2.9Å; L22-A287 VanDerWaalsContact O-CB 3.3Å; L22-A287 WeakPolarHBondContact O-CB 3.48Å; L22-G288 WeakPolarHBondContact O-CA 3.41Å; L22-G288 PolarHBondContact O-N 2.93Å; L22-P289 HydrophobicContact CD2-CB 4.27Å; L22-W319 HydrophobicContact CB-CH2 4.31Å; L22-W319 HydrophobicContact CB-CZ2 4.48Å; L22-W319 WeakPolarHBondContact O-CH2 3.39Å
23I98.2Very high97.8Very high0 Ų017.8 Ų17.80%010%0.098CC..SBendtrans-79.4153.6179.267.2172.3000112.2L11 I15 K18 A19 L20 I25 L178 N293 N315 W319L11-I23 HydrophobicContact CD1-CD1 4.38Å; I15-I23 HydrophobicContact CG2-CG2 4.1Å; K18-I23 HydrophobicContact CB-CG2 3.83Å; A19-I23 PolarHBondContact O-N 3.25Å; L20-I23 HydrophobicContact CD2-CD1 3.79Å; L20-I23 HydrophobicContact CD2-CG1 4.41Å; I23-I25 HydrophobicContact CD1-CD1 4.38Å; I23-I25 HydrophobicContact CD1-CG1 4.22Å; I23-I25 HydrophobicContact CG1-CD1 4.11Å; I23-I25 HydrophobicContact CG1-CG1 3.96Å; I23-L178 HydrophobicContact CD1-CD1 4.44Å; I23-N293 WeakPolarHBondContact O-CA 3.32Å; I23-N293 PolarHBondContact O-ND2 2.83Å; I23-N315 WeakPolarHBondContact CA-OD1 3.33Å; I23-N315 WeakPolarHBondContact CB-OD1 3.47Å; I23-W319 HydrophobicContact CG2-CH2 4.36Å; I23-W319 HydrophobicContact CG2-CZ3 4.06Å
24S98.5Very high97.9Very high0 Ų017.7 Ų17.70%08%0.084CC..  trans-81.3129.5171.8-61.30000111.5A287 I292 N293 I314 N315S24-A287 WeakPolarHBondContact OG-CB 3.23Å; S24-I292 PolarHBondContact OG-O 3.08Å; S24-N293 CarbonylContact C-O 3.53Å; S24-N293 WeakPolarHBondContact CA-O 3.03Å; S24-I314 VanDerWaalsContact OG-CG2 3.27Å; S24-I314 WeakPolarHBondContact OG-CG2 3.03Å; S24-N315 PolarHBondContact N-OD1 3.07Å; S24-N315 PolarHBondContact O-ND2 2.84Å
25I98.8Very high98Very high0 Ų015.8 Ų15.80%08%0.077CC..EExtended strand (participates in β ladder)trans-127.1126.6-174.4-60.8168.1000109.3W7 M8 L20 I23 R84 I138 N293 I294 T295W7-I25 HydrophobicContact CH2-CG1 4.35Å; W7-I25 HydrophobicContact CZ2-CG2 4.49Å; M8-I25 HydrophobicContact CE-CD1 4.41Å; M8-I25 HydrophobicContact CE-CG1 4.31Å; M8-I25 HydrophobicContact CE-CG2 4.29Å; L20-I25 HydrophobicContact CD2-CD1 4.42Å; I23-I25 HydrophobicContact CD1-CD1 4.38Å; I23-I25 HydrophobicContact CD1-CG1 4.22Å; I23-I25 HydrophobicContact CG1-CD1 4.11Å; I23-I25 HydrophobicContact CG1-CG1 3.96Å; I25-R84 HydrophobicContact CG2-CB 3.76Å; I25-I138 HydrophobicContact CD1-CD1 3.95Å; I25-N293 PolarHBondContact N-O 3.1Å; I25-I294 HydrophobicContact CB-CG1 4.21Å; I25-I294 HydrophobicContact CD1-CG1 4.43Å; I25-I294 WeakPolarHBondContact O-CA 3.1Å; I25-T295 PolarHBondContact O-N 2.78Å; I25-T295 PolarHBondContact O-OG1 3.07Å
26P98.6Very high98Very high0 Ų015.9 Ų15.90%08%0.078CC..EExtended strand (participates in β ladder)trans-76.8134.3175.831.2-33.8000111.5W7 G82 I83 R84 Y85 Y307 I308 V311 V312W7-P26 HydrophobicContact CZ2-CG 4.24Å; P26-G82 VanDerWaalsContact CG-O 3.25Å; P26-G82 WeakPolarHBondContact CG-O 3.28Å; P26-I83 HydrophobicContact CB-CD1 4.38Å; P26-R84 PolarHBondContact O-N 2.96Å; P26-Y85 PolarHBondContact O-N 3.41Å; P26-Y307 HydrophobicContact CB-CE1 3.99Å; P26-I308 HydrophobicContact CB-CD1 3.7Å; P26-I308 HydrophobicContact CG-CD1 4.09Å; P26-I308 HydrophobicContact CG-CG2 4.41Å; P26-V311 HydrophobicContact CB-CB 4.21Å; P26-V311 HydrophobicContact CB-CG1 4.13Å; P26-V311 HydrophobicContact CB-CG2 4.45Å; P26-V312 HydrophobicContact CG-CG2 4.45Å
27G98.7Very high98Very high0 Ų018.6 Ų18.60%09%0.094CC..EExtended strand (participates in β ladder)trans-134.3162.2-178.300000112.1Y85 T295 Y307G27-Y85 VanDerWaalsContact CA-O 3.23Å; G27-Y85 WeakPolarHBondContact CA-O 3.34Å; G27-T295 CarbonylContact C-O 3.56Å; G27-T295 WeakPolarHBondContact CA-O 3.38Å; G27-T295 PolarHBondContact N-O 2.99Å; G27-Y307 PolarHBondContact N-OH 3.08Å; G27-Y307 VanDerWaalsContact N-OH 3.16Å; G27-Y307 WeakPolarHBondContact O-CE1 3.36Å; G27-Y307 PolarHBondContact O-OH 3.2Å
28S98.6Very high97.7Very high0 Ų016.9 Ų16.90%09%0.088CC..EExtended strand (participates in β ladder)trans-122.3134.7177.3590000110.7S31 Q78 Y85 D87 L296S28-S31 PolarHBondContact O-OG 3.36Å; S28-S31 WeakPolarHBondContact OG-CB 3.08Å; S28-S31 PolarHBondContact OG-OG 3.18Å; S28-Q78 VanDerWaalsContact CB-OE1 3.25Å; S28-Q78 PolarHBondContact OG-OE1 2.87Å; S28-Y85 PolarHBondContact N-O 2.95Å; S28-D87 PolarHBondContact O-N 3.27Å; S28-L296 VanDerWaalsContact C-CD1 3.41Å; S28-L296 VanDerWaalsContact O-CD1 3.32Å; S28-L296 WeakPolarHBondContact O-CD1 3.4Å
29H98.3Very high97.5Very high15 Ų1521 Ų217%0.06911%0.108CC..THydrogen-bonded Turntrans-71.6139.8176.9177.7-128.4000110S31 T70 Q71 D87 V249 L296 I297 D298H29-S31 VanDerWaalsContact C-N 3.26Å; H29-S31 PolarHBondContact O-N 2.91Å; H29-S31 VanDerWaalsContact O-N 3.15Å; H29-T70 PolarHBondContact O-OG1 3.14Å; H29-Q71 PolarHBondContact O-NE2 3.33Å; H29-D87 IonicContact CD2-OD2 2.6Å; H29-D87 PolarHBondContact CD2-OD2 2.83Å; H29-D87 IonicContact NE2-OD2 2.82Å; H29-V249 HydrophobicContact CB-CG1 3.91Å; H29-L296 HydrophobicContact CB-CD1 4.35Å; H29-L296 HydrophobicContact CB-CD2 3.49Å; H29-L296 VanDerWaalsContact CB-CD2 3.49Å; H29-L296 HydrophobicContact CB-CG 3.74Å; H29-I297 PolarHBondContact N-O 3.24Å; H29-I297 VanDerWaalsContact N-O 3.14Å; H29-D298 WeakPolarHBondContact CB-OD1 3.29Å; H29-D298 IonicContact CE1-OD1 3.75Å; H29-D298 IonicContact CG-OD1 3.86Å; H29-D298 IonicContact ND1-OD1 3.63Å; H29-D298 PolarHBondContact ND1-OD1 2.97Å; H29-D298 IonicContact ND1-OD2 2.97Å
30N97.6Very high97.2Very high0 Ų020.7 Ų20.70%011%0.105CC..THydrogen-bonded Turntrans35.159.1-177.3-63.3-47.9000112.6F32 T33 T70 D87 R89 H111N30-F32 HydrophobicContact CB-CE1 4.13Å; N30-F32 HydrophobicContact CB-CZ 4.17Å; N30-F32 PolarHBondContact O-N 3.42Å; N30-T33 HydrophobicContact CB-CG2 3.64Å; N30-T33 WeakPolarHBondContact O-CB 3.48Å; N30-T33 WeakPolarHBondContact O-CG2 3.38Å; N30-T33 PolarHBondContact O-N 3.32Å; N30-T33 PolarHBondContact O-OG1 2.93Å; N30-T70 HydrophobicContact CB-CG2 4.09Å; N30-T70 WeakPolarHBondContact CB-OG1 3.4Å; N30-T70 PolarHBondContact O-OG1 2.74Å; N30-T70 VanDerWaalsContact O-OG1 3.08Å; N30-D87 CarbonylContact C-O 3.59Å; N30-D87 VanDerWaalsContact CA-O 3.27Å; N30-D87 WeakPolarHBondContact CA-O 3.33Å; N30-D87 PolarHBondContact N-OD2 2.8Å; N30-D87 VanDerWaalsContact N-OD2 3.1Å; N30-D87 PolarHBondContact OD1-OD2 2.58Å; N30-R89 WeakPolarHBondContact OD1-CD 3.45Å; N30-R89 WeakPolarHBondContact OD1-CG 3.48Å; N30-R89 PolarHBondContact OD1-NE 3.24Å; N30-H111 PolarHBondContact ND2-CD2 3.25Å; N30-H111 PolarHBondContact ND2-NE2 3.2Å
31S98.6Very high96.8Very high0 Ų023.9 Ų23.90%013%0.126CC..G310 helixtrans-56-29.8-159.1-47.10000114.1S28 H29 T33 L75 Q78 F86 D87S28-S31 PolarHBondContact O-OG 3.36Å; S28-S31 WeakPolarHBondContact OG-CB 3.08Å; S28-S31 PolarHBondContact OG-OG 3.18Å; H29-S31 VanDerWaalsContact C-N 3.26Å; H29-S31 PolarHBondContact O-N 2.91Å; H29-S31 VanDerWaalsContact O-N 3.15Å; S31-T33 VanDerWaalsContact C-N 3.35Å; S31-T33 PolarHBondContact O-N 3.43Å; S31-L75 VanDerWaalsContact C-CD2 3.5Å; S31-L75 WeakPolarHBondContact O-CD2 3.3Å; S31-Q78 PolarHBondContact O-NE2 2.88Å; S31-F86 VanDerWaalsContact CB-CD1 3.46Å; S31-F86 VanDerWaalsContact OG-CA 3.27Å; S31-F86 WeakPolarHBondContact OG-CA 3.48Å; S31-F86 VanDerWaalsContact OG-CD1 3.3Å; S31-F86 WeakPolarHBondContact OG-CD1 3.42Å; S31-D87 PolarHBondContact N-O 3.04Å; S31-D87 PolarHBondContact OG-N 3.3Å; S31-D87 VanDerWaalsContact OG-N 3.09Å
32F98.2Very high96.4Very high0 Ų024.4 Ų24.40%013%0.129CC..G310 helixtrans-80.4-9.8-173.957.1-91.7000114.9N30 Y34 S35 F88 R89 L109 V110 H111 A115N30-F32 HydrophobicContact CB-CE1 4.13Å; N30-F32 HydrophobicContact CB-CZ 4.17Å; N30-F32 PolarHBondContact O-N 3.42Å; F32-Y34 WeakPolarHBondContact O-CD1 3.15Å; F32-Y34 PolarHBondContact O-N 3.27Å; F32-S35 PolarHBondContact O-N 3.22Å; F32-S35 PolarHBondContact O-OG 2.96Å; F32-F88 AromaticContact CD1-CD1 3.89Å; F32-F88 HydrophobicContact CD1-CD1 3.89Å; F32-F88 HydrophobicContact CD1-CE1 4.39Å; F32-F88 HydrophobicContact CD1-CG 4.45Å; F32-R89 HydrophobicContact CE1-CB 4.3Å; F32-R89 HydrophobicContact CZ-CB 4.06Å; F32-L109 HydrophobicContact CB-CB 4.07Å; F32-L109 HydrophobicContact CB-CD1 3.66Å; F32-L109 HydrophobicContact CB-CD2 4.42Å; F32-L109 HydrophobicContact CB-CG 4.26Å; F32-L109 HydrophobicContact CD1-CB 4.13Å; F32-L109 HydrophobicContact CD1-CD2 3.82Å; F32-L109 HydrophobicContact CD1-CG 4.39Å; F32-L109 HydrophobicContact CD2-CB 3.4Å; F32-L109 VanDerWaalsContact CD2-CB 3.4Å; F32-L109 HydrophobicContact CD2-CG 4.4Å; F32-L109 HydrophobicContact CE1-CD2 4.29Å; F32-L109 HydrophobicContact CE2-CB 3.82Å; F32-L109 HydrophobicContact CG-CB 3.57Å; F32-L109 HydrophobicContact CG-CD1 4.04Å; F32-L109 HydrophobicContact CG-CD2 4.02Å; F32-L109 HydrophobicContact CG-CG 4.07Å; F32-L109 HydrophobicContact CZ-CB 4.37Å; F32-V110 WeakPolarHBondContact CZ-O 3.26Å; F32-H111 HydrophobicContact CE2-CB 4.18Å; F32-H111 HydrophobicContact CZ-CB 4.17Å; F32-A115 HydrophobicContact CD2-CB 3.62Å; F32-A115 HydrophobicContact CE2-CB 4.09Å
33T98.1Very high95.9Very high0 Ų022.6 Ų22.60%012%0.12CC..G310 helixtrans-67-8.2-168.153.40000114.7N30 S31 S35 I36 S68 T70 Q71 H111N30-T33 HydrophobicContact CB-CG2 3.64Å; N30-T33 WeakPolarHBondContact O-CB 3.48Å; N30-T33 WeakPolarHBondContact O-CG2 3.38Å; N30-T33 PolarHBondContact O-N 3.32Å; N30-T33 PolarHBondContact O-OG1 2.93Å; S31-T33 VanDerWaalsContact C-N 3.35Å; S31-T33 PolarHBondContact O-N 3.43Å; T33-S35 PolarHBondContact O-N 3.46Å; T33-I36 HydrophobicContact CG2-CD1 3.84Å; T33-I36 WeakPolarHBondContact O-CB 3.37Å; T33-I36 PolarHBondContact O-N 3.36Å; T33-I36 VanDerWaalsContact O-N 3.09Å; T33-S68 WeakPolarHBondContact CG2-O 3.5Å; T33-T70 PolarHBondContact OG1-N 3.49Å; T33-T70 PolarHBondContact OG1-OG1 3.29Å; T33-Q71 PolarHBondContact OG1-N 3.18Å; T33-H111 HydrophobicContact CG2-CB 3.63Å
34Y98Very high95.1Very high67 Ų6724.5 Ų24.526%0.26313%0.132SC..G310 helixtrans-56.3-28.5171.983-85.7000113.1F32 I36 Q71 L73 L75 E121F32-Y34 WeakPolarHBondContact O-CD1 3.15Å; F32-Y34 PolarHBondContact O-N 3.27Å; Y34-I36 VanDerWaalsContact C-N 3.34Å; Y34-Q71 VanDerWaalsContact CA-O 3.22Å; Y34-Q71 WeakPolarHBondContact CA-O 3.22Å; Y34-Q71 WeakPolarHBondContact CB-O 3.48Å; Y34-Q71 PolarHBondContact N-O 3.05Å; Y34-L73 WeakPolarHBondContact CB-O 3.5Å; Y34-L73 WeakPolarHBondContact CD1-O 3.41Å; Y34-L73 VanDerWaalsContact CG-O 3.28Å; Y34-L75 HydrophobicContact CE1-CG 4.16Å; Y34-E121 PolarHBondContact OH-OE1 2.86Å; Y34-E121 PolarHBondContact OH-OE2 2.99Å
35S97.6Very high94.4Very high18 Ų1825.7 Ų25.713%0.12614%0.138CC..G310 helixtrans-84.1-8.2-178.859.70000113.7F32 T33 A115 N116F32-S35 PolarHBondContact O-N 3.22Å; F32-S35 PolarHBondContact O-OG 2.96Å; T33-S35 PolarHBondContact O-N 3.46Å; S35-A115 WeakPolarHBondContact OG-CB 3.1Å; S35-N116 WeakPolarHBondContact CB-ND2 3.36Å; S35-N116 PolarHBondContact OG-N 2.75Å
36I97.1Very high93.1Very high2 Ų227.6 Ų27.61%0.0115%0.148CC..  trans-69.1140.4174.8-65.6177.2000108.7T33 Y34 Y65 V69 H111 L113 A115T33-I36 HydrophobicContact CG2-CD1 3.84Å; T33-I36 WeakPolarHBondContact O-CB 3.37Å; T33-I36 PolarHBondContact O-N 3.36Å; T33-I36 VanDerWaalsContact O-N 3.09Å; Y34-I36 VanDerWaalsContact C-N 3.34Å; I36-Y65 HydrophobicContact CG2-CD2 4Å; I36-Y65 HydrophobicContact CG2-CE2 4.31Å; I36-Y65 WeakPolarHBondContact O-CE2 3.47Å; I36-V69 HydrophobicContact CB-CG2 4.18Å; I36-V69 HydrophobicContact CG2-CG2 4.24Å; I36-H111 HydrophobicContact CD1-CB 4.27Å; I36-L113 HydrophobicContact CD1-CB 4.38Å; I36-L113 HydrophobicContact CG2-CB 3.73Å; I36-L113 HydrophobicContact CG2-CD1 3.61Å; I36-L113 HydrophobicContact CG2-CG 4.24Å; I36-A115 HydrophobicContact CD1-CB 4.33Å; I36-A115 HydrophobicContact CG1-CB 3.69Å
37T95.6Very high91.5Very high62 Ų6231 Ų3138%0.3817%0.173SC..  trans-125.2167.7174.570.20000110.6H39 S40T37-H39 PolarHBondContact O-N 2.62Å; T37-H39 VanDerWaalsContact O-N 3.1Å; T37-H39 PolarHBondContact OG1-N 3.07Å; T37-S40 PolarHBondContact N-OG 2.8Å; T37-S40 VanDerWaalsContact O-CB 3.29Å; T37-S40 WeakPolarHBondContact O-CB 3Å; T37-S40 PolarHBondContact O-N 2.86Å; T37-S40 PolarHBondContact O-OG 3.06Å; T37-S40 PolarHBondContact OG1-N 3.39Å
38N92.4Very high90Very high60 Ų6031.3 Ų31.332%0.32117%0.174SC..THydrogen-bonded Turntrans-65.6-6.8171.664.5-3.2000113.6S61 Y65N38-S61 WeakPolarHBondContact O-CB 3.34Å; N38-Y65 HydrophobicContact CB-CD1 4.16Å; N38-Y65 HydrophobicContact CB-CD2 4.44Å; N38-Y65 HydrophobicContact CB-CG 4Å
39H92.5Very high88.1Confident157 Ų15732.4 Ų32.473%0.72718%0.182SC*.THydrogen-bonded Turntrans-103.2-6.6174-58.6-54.3000112.9T37T37-H39 PolarHBondContact O-N 2.62Å; T37-H39 VanDerWaalsContact O-N 3.1Å; T37-H39 PolarHBondContact OG1-N 3.07Å
40S92.8Very high86.3Confident13 Ų1341.1 Ų41.19%0.09121%0.214CC..SBendtrans-60.4133.9175.3-73.30000110.1T37 S61 Y114T37-S40 PolarHBondContact N-OG 2.8Å; T37-S40 VanDerWaalsContact O-CB 3.29Å; T37-S40 WeakPolarHBondContact O-CB 3Å; T37-S40 PolarHBondContact O-N 2.86Å; T37-S40 PolarHBondContact O-OG 3.06Å; T37-S40 PolarHBondContact OG1-N 3.39Å; S40-S61 WeakPolarHBondContact O-CB 3.39Å; S40-S61 PolarHBondContact O-OG 3.31Å; S40-Y114 WeakPolarHBondContact CB-O 3.38Å; S40-Y114 PolarHBondContact OG-O 3.44Å
41P89.4Confident84.7Confident67 Ų6744.2 Ų44.244%0.43523%0.23SC..PPolyproline II helixtrans-67.9150.1177.922.8-27.2000110.8S43 L113 Y114P41-S43 PolarHBondContact O-N 2.82Å; P41-L113 WeakPolarHBondContact O-CA 3.33Å; P41-Y114 HydrophobicContact CB-CD2 4.21Å; P41-Y114 HydrophobicContact CG-CD2 3.77Å; P41-Y114 HydrophobicContact CG-CG 4.25Å; P41-Y114 WeakPolarHBondContact O-CD2 3.33Å; P41-Y114 PolarHBondContact O-N 2.92Å
42P88.3Confident83Confident14 Ų1446.7 Ų46.79%0.09124%0.243CC..BIsolated β-bridgetrans-55.7136.7170.1-25.136.1000112C49 L60 S61 L64 L113 Y114P42-C49 HydrophobicContact CB-CB 4.38Å; P42-L60 HydrophobicContact CB-CD2 4.38Å; P42-L60 HydrophobicContact CG-CB 4.44Å; P42-L60 HydrophobicContact CG-CD2 3.99Å; P42-L60 HydrophobicContact CG-CG 4.34Å; P42-S61 WeakPolarHBondContact CD-OG 3.31Å; P42-L64 HydrophobicContact CB-CD1 4.47Å; P42-L113 HydrophobicContact CB-CD2 4.46Å; P42-L113 HydrophobicContact CG-CD2 4.38Å; P42-Y114 WeakPolarHBondContact O-CD2 3.08Å; P42-Y114 VanDerWaalsContact O-CE2 3.32Å; P42-Y114 WeakPolarHBondContact O-CE2 3.3Å
43S88.4Confident81.4Confident0 Ų053.6 Ų53.60%028%0.278CS..PPolyproline II helixtrans-102.5155.5177.251.60000111.2P41 D45 C49 G112 L113P41-S43 PolarHBondContact O-N 2.82Å; S43-D45 VanDerWaalsContact CB-OD1 3.23Å; S43-D45 WeakPolarHBondContact CB-OD1 3.49Å; S43-D45 PolarHBondContact O-N 3.18Å; S43-D45 PolarHBondContact OG-OD1 3.37Å; S43-C49 WeakPolarHBondContact O-CB 3.3Å; S43-G112 PolarHBondContact N-O 2.82Å; S43-G112 WeakPolarHBondContact OG-CA 3.48Å; S43-G112 PolarHBondContact OG-N 2.85Å; S43-G112 PolarHBondContact OG-O 2.76Å; S43-L113 WeakPolarHBondContact OG-CA 3.47Å; S43-L113 PolarHBondContact OG-N 2.82Å; S43-L113 PolarHBondContact OG-O 3.02Å
44P81.6Confident80Confident39 Ų3958.5 Ų58.525%0.25331%0.312SS..THydrogen-bonded Turntrans-71.6-9.8-172.432.1-42.9000114.8N46 Y114 Y146P44-N46 PolarHBondContact O-N 3.33Å; P44-Y114 WeakPolarHBondContact CD-OH 3.47Å; P44-Y146 HydrophobicContact CB-CD2 4.27Å; P44-Y146 HydrophobicContact CB-CE2 3.28Å; P44-Y146 VanDerWaalsContact CB-CZ 3.43Å; P44-Y146 WeakPolarHBondContact CB-OH 3.31Å; P44-Y146 HydrophobicContact CG-CD2 3.85Å; P44-Y146 HydrophobicContact CG-CE2 3.28Å
45D83.1Confident78.8Confident26 Ų2658 Ų5814%0.13931%0.314CS..THydrogen-bonded Turntrans-74.5-11.2-177.266.3-44.4000113.5S43 V110 H111 G112 Y145S43-D45 VanDerWaalsContact CB-OD1 3.23Å; S43-D45 WeakPolarHBondContact CB-OD1 3.49Å; S43-D45 PolarHBondContact O-N 3.18Å; S43-D45 PolarHBondContact OG-OD1 3.37Å; D45-V110 HydrophobicContact CB-CG2 4.27Å; D45-H111 WeakPolarHBondContact OD2-CA 3.12Å; D45-G112 VanDerWaalsContact CG-N 3.34Å; D45-G112 WeakPolarHBondContact OD1-CA 3.3Å; D45-G112 PolarHBondContact OD1-N 3.22Å; D45-G112 VanDerWaalsContact OD1-N 3.1Å; D45-G112 PolarHBondContact OD2-N 2.87Å; D45-Y145 HydrophobicContact CB-CD1 4.02Å; D45-Y145 HydrophobicContact CB-CD2 3.81Å; D45-Y145 HydrophobicContact CB-CE1 3.63Å; D45-Y145 HydrophobicContact CB-CE2 3.4Å; D45-Y145 VanDerWaalsContact CB-CE2 3.4Å; D45-Y145 HydrophobicContact CB-CG 4.1Å
46N70.9Confident78Confident39 Ų3961.3 Ų61.321%0.20933%0.334CS..  trans-115.9128.5-179.6-167.9-23.9000111.4P44 I48 C49P44-N46 PolarHBondContact O-N 3.33Å; N46-I48 PolarHBondContact O-N 3.22Å; N46-I48 VanDerWaalsContact OD1-CB 3.3Å; N46-I48 WeakPolarHBondContact OD1-CB 3.27Å; N46-I48 WeakPolarHBondContact OD1-CG1 3.27Å; N46-I48 PolarHBondContact OD1-N 2.88Å; N46-C49 WeakPolarHBondContact O-CB 3.24Å; N46-C49 PolarHBondContact O-N 3.25Å
47S65.2Low77.2Confident73 Ų7368.9 Ų68.951%0.5136%0.363SS..G310 helixtrans-61.5-24.7175.957.90000112.9C49 R50S47-C49 PolarHBondContact O-N 3.22Å; S47-R50 WeakPolarHBondContact O-CB 3.42Å; S47-R50 PolarHBondContact O-N 3.1Å
48I67.5Low76.6Confident5 Ų570.5 Ų70.53%0.02638%0.376CS..G310 helixtrans-56.5-29.4169.8-68.4174.2000111.4N46 R50 L51 L60 L64 L254 I257N46-I48 PolarHBondContact O-N 3.22Å; N46-I48 VanDerWaalsContact OD1-CB 3.3Å; N46-I48 WeakPolarHBondContact OD1-CB 3.27Å; N46-I48 WeakPolarHBondContact OD1-CG1 3.27Å; N46-I48 PolarHBondContact OD1-N 2.88Å; I48-R50 PolarHBondContact O-N 3.14Å; I48-R50 VanDerWaalsContact O-N 3.08Å; I48-L51 HydrophobicContact CG2-CD1 4.23Å; I48-L51 VanDerWaalsContact O-CB 3.25Å; I48-L51 WeakPolarHBondContact O-CB 3.25Å; I48-L51 PolarHBondContact O-N 3.36Å; I48-L60 HydrophobicContact CG2-CD1 3.54Å; I48-L60 HydrophobicContact CG2-CD2 4.47Å; I48-L60 HydrophobicContact CG2-CG 4.27Å; I48-L64 HydrophobicContact CB-CD2 3.88Å; I48-L64 HydrophobicContact CD1-CD2 3.56Å; I48-L64 HydrophobicContact CG1-CD2 4.28Å; I48-L64 HydrophobicContact CG2-CD1 3.94Å; I48-L64 HydrophobicContact CG2-CD2 3.49Å; I48-L64 VanDerWaalsContact CG2-CD2 3.49Å; I48-L64 HydrophobicContact CG2-CG 3.87Å; I48-L254 HydrophobicContact CD1-CD1 3.54Å; I48-L254 HydrophobicContact CG1-CD1 3.17Å; I48-L254 HydrophobicContact CG1-CG 4.48Å; I48-I257 HydrophobicContact CD1-CD1 4.05Å; I48-I257 HydrophobicContact CD1-CG2 4.12Å
49C58.3Low76.2Confident24 Ų2472.7 Ų72.716%0.16238%0.383CS..G310 helixtrans-56.5-27.9176.6-168.20000111.7P42 S43 N46 S47 L51 D52P42-C49 HydrophobicContact CB-CB 4.38Å; S43-C49 WeakPolarHBondContact O-CB 3.3Å; N46-C49 WeakPolarHBondContact O-CB 3.24Å; N46-C49 PolarHBondContact O-N 3.25Å; S47-C49 PolarHBondContact O-N 3.22Å; C49-L51 PolarHBondContact O-N 2.96Å; C49-D52 VanDerWaalsContact O-CB 3.23Å; C49-D52 WeakPolarHBondContact O-CB 3.46Å; C49-D52 PolarHBondContact O-N 2.89Å
50R61.1Low75.7Confident198 Ų19865.3 Ų65.375%0.74735%0.349SS*.G310 helixtrans-67.7-14.1175-61.4-171.9178.8-171.90.4114S47 I48 D52 I53S47-R50 WeakPolarHBondContact O-CB 3.42Å; S47-R50 PolarHBondContact O-N 3.1Å; I48-R50 PolarHBondContact O-N 3.14Å; I48-R50 VanDerWaalsContact O-N 3.08Å; R50-D52 PolarHBondContact O-N 3.34Å; R50-I53 WeakPolarHBondContact O-CD1 3.26Å; R50-I53 WeakPolarHBondContact O-CG1 3.25Å
51L64.7Low75.5Confident64 Ų6464.9 Ų64.934%0.33535%0.346SS..G310 helixtrans-73.9-4.9171-62.3179.3000112.3I48 C49 I53 C54 L55 L60I48-L51 HydrophobicContact CG2-CD1 4.23Å; I48-L51 VanDerWaalsContact O-CB 3.25Å; I48-L51 WeakPolarHBondContact O-CB 3.25Å; I48-L51 PolarHBondContact O-N 3.36Å; C49-L51 PolarHBondContact O-N 2.96Å; L51-I53 PolarHBondContact O-N 3.02Å; L51-C54 PolarHBondContact O-N 3.05Å; L51-L55 PolarHBondContact O-N 2.79Å; L51-L60 HydrophobicContact CB-CD1 4.29Å
52D61.8Low75.4Confident52 Ų5270.5 Ų70.528%0.27836%0.359SS..G310 helixtrans-62.9-15.317177-24.9000113.3C49 R50 C54 R57 L60C49-D52 VanDerWaalsContact O-CB 3.23Å; C49-D52 WeakPolarHBondContact O-CB 3.46Å; C49-D52 PolarHBondContact O-N 2.89Å; R50-D52 PolarHBondContact O-N 3.34Å; D52-C54 VanDerWaalsContact C-N 3.29Å; D52-R57 HydrophobicContact CB-CG 4.26Å; D52-R57 IonicContact OD2-CZ 3.79Å; D52-R57 IonicContact OD2-NE 3.5Å; D52-R57 IonicContact OD2-NH2 3.14Å; D52-R57 PolarHBondContact OD2-NH2 3.42Å; D52-R57 VanDerWaalsContact OD2-NH2 3.14Å; D52-L60 HydrophobicContact CB-CD2 4.26Å
53I64.1Low75.2Confident145 Ų14572.8 Ų72.874%0.74437%0.37SS*.G310 helixtrans-65.4-34.1168.9-58.9170.7000111.1R50 L51R50-I53 WeakPolarHBondContact O-CD1 3.26Å; R50-I53 WeakPolarHBondContact O-CG1 3.25Å; L51-I53 PolarHBondContact O-N 3.02Å
54C69.1Low75.2Confident104 Ų10472.8 Ų72.870%0.70337%0.37SS*.THydrogen-bonded Turntrans-109.4-21.9-172-61.60000113.7L51 D52L51-C54 PolarHBondContact O-N 3.05Å; D52-C54 VanDerWaalsContact C-N 3.29Å
55L72.9Confident75.8Confident57 Ų5775.2 Ų75.230%0.29837%0.374SS..SBendtrans-126.8140-174.7-67.9172.7000111.3L51 R57 F59L51-L55 PolarHBondContact O-N 2.79Å; L55-R57 PolarHBondContact O-N 2.91Å; L55-F59 HydrophobicContact CB-CD1 4.36Å; L55-F59 HydrophobicContact CD1-CD1 4.11Å; L55-F59 HydrophobicContact CD1-CE1 4.23Å; L55-F59 HydrophobicContact CD2-CD1 3.92Å; L55-F59 HydrophobicContact CD2-CE1 4.04Å; L55-F59 HydrophobicContact CG-CD1 4.36Å
56P81.8Confident76.3Confident86 Ų8675.8 Ų75.856%0.55838%0.38SS*.  trans-54.7136.5171.3-23.733.1000111.2S58 F59 L60P56-S58 PolarHBondContact O-N 2.85Å; P56-S58 VanDerWaalsContact O-N 3.16Å; P56-F59 HydrophobicContact CB-CB 4.44Å; P56-F59 WeakPolarHBondContact O-CA 3.36Å; P56-F59 WeakPolarHBondContact O-CB 3.33Å; P56-F59 PolarHBondContact O-N 2.95Å; P56-L60 PolarHBondContact O-N 3.5Å
57R80Confident77.4Confident162 Ų16274.6 Ų74.661%0.61137%0.372SS*.Hα-helixtrans-54.7-38.3-177.6-74-175.5174.8169.9-0.8113.7D52 L55 F59 L60 S61D52-R57 HydrophobicContact CB-CG 4.26Å; D52-R57 IonicContact OD2-CZ 3.79Å; D52-R57 IonicContact OD2-NE 3.5Å; D52-R57 IonicContact OD2-NH2 3.14Å; D52-R57 PolarHBondContact OD2-NH2 3.42Å; D52-R57 VanDerWaalsContact OD2-NH2 3.14Å; L55-R57 PolarHBondContact O-N 2.91Å; R57-F59 VanDerWaalsContact C-N 3.28Å; R57-F59 PolarHBondContact O-N 3.45Å; R57-L60 PolarHBondContact O-N 2.94Å; R57-S61 PolarHBondContact O-N 2.91Å; R57-S61 PolarHBondContact O-OG 2.94Å
58S81.9Confident78.8Confident95 Ų9571.2 Ų71.266%0.66435%0.348SS*.Hα-helixtrans-61.6-36.4176.952.50000112.8P56 R62P56-S58 PolarHBondContact O-N 2.85Å; P56-S58 VanDerWaalsContact O-N 3.16Å; S58-R62 PolarHBondContact O-N 3.45Å
59F83.8Confident80.2Confident107 Ų10771.7 Ų71.747%0.46935%0.352SS..Hα-helixtrans-71.9-43.1176.1-174.4-104.5000111L55 P56 R57 S61 R62 I63L55-F59 HydrophobicContact CB-CD1 4.36Å; L55-F59 HydrophobicContact CD1-CD1 4.11Å; L55-F59 HydrophobicContact CD1-CE1 4.23Å; L55-F59 HydrophobicContact CD2-CD1 3.92Å; L55-F59 HydrophobicContact CD2-CE1 4.04Å; L55-F59 HydrophobicContact CG-CD1 4.36Å; P56-F59 HydrophobicContact CB-CB 4.44Å; P56-F59 WeakPolarHBondContact O-CA 3.36Å; P56-F59 WeakPolarHBondContact O-CB 3.33Å; P56-F59 PolarHBondContact O-N 2.95Å; R57-F59 VanDerWaalsContact C-N 3.28Å; R57-F59 PolarHBondContact O-N 3.45Å; F59-S61 VanDerWaalsContact C-N 3.34Å; F59-S61 PolarHBondContact O-N 2.78Å; F59-R62 PolarHBondContact O-N 2.78Å; F59-I63 HydrophobicContact CD1-CD1 3.75Å; F59-I63 HydrophobicContact CE1-CD1 3.29Å; F59-I63 HydrophobicContact CE1-CG1 4.3Å; F59-I63 HydrophobicContact CZ-CD1 3.83Å; F59-I63 PolarHBondContact O-N 3.1Å; F59-I63 VanDerWaalsContact O-N 3.16Å
60L83.2Confident82Confident2 Ų270.6 Ų70.61%0.0134%0.344CS..Hα-helixtrans-60.4-43.4176.6-167.861.1000111.9P42 I48 L51 D52 P56 R57 R62 I63 L64P42-L60 HydrophobicContact CB-CD2 4.38Å; P42-L60 HydrophobicContact CG-CB 4.44Å; P42-L60 HydrophobicContact CG-CD2 3.99Å; P42-L60 HydrophobicContact CG-CG 4.34Å; I48-L60 HydrophobicContact CG2-CD1 3.54Å; I48-L60 HydrophobicContact CG2-CD2 4.47Å; I48-L60 HydrophobicContact CG2-CG 4.27Å; L51-L60 HydrophobicContact CB-CD1 4.29Å; D52-L60 HydrophobicContact CB-CD2 4.26Å; P56-L60 PolarHBondContact O-N 3.5Å; R57-L60 PolarHBondContact O-N 2.94Å; L60-R62 VanDerWaalsContact C-N 3.28Å; L60-R62 PolarHBondContact O-N 2.72Å; L60-I63 PolarHBondContact O-N 3.02Å; L60-L64 HydrophobicContact CD1-CD1 4.46Å; L60-L64 HydrophobicContact CD2-CD1 4.46Å; L60-L64 HydrophobicContact CG-CD1 3.93Å; L60-L64 HydrophobicContact CG-CG 4.38Å; L60-L64 WeakPolarHBondContact O-CB 3.2Å; L60-L64 WeakPolarHBondContact O-CG 3.33Å; L60-L64 PolarHBondContact O-N 3.37Å
61S87.8Confident83.8Confident4 Ų461.2 Ų61.23%0.02831%0.309CS..Hα-helixtrans-56.9-41.3175.3-66.70000112.5N38 S40 P42 R57 F59 I63 L64 Y65N38-S61 WeakPolarHBondContact O-CB 3.34Å; S40-S61 WeakPolarHBondContact O-CB 3.39Å; S40-S61 PolarHBondContact O-OG 3.31Å; P42-S61 WeakPolarHBondContact CD-OG 3.31Å; R57-S61 PolarHBondContact O-N 2.91Å; R57-S61 PolarHBondContact O-OG 2.94Å; F59-S61 VanDerWaalsContact C-N 3.34Å; F59-S61 PolarHBondContact O-N 2.78Å; S61-I63 PolarHBondContact O-N 2.96Å; S61-L64 PolarHBondContact O-N 3.4Å; S61-Y65 VanDerWaalsContact O-CB 3.28Å; S61-Y65 WeakPolarHBondContact O-CB 3.33Å; S61-Y65 PolarHBondContact O-N 3.41Å
62R87.1Confident85.3Confident184 Ų18461 Ų6169%0.69431%0.312SS*.Hα-helixtrans-68.3-34.6179.6-170.8169.7176.8138-2.5112.9S58 F59 L60 P66S58-R62 PolarHBondContact O-N 3.45Å; F59-R62 PolarHBondContact O-N 2.78Å; L60-R62 VanDerWaalsContact C-N 3.28Å; L60-R62 PolarHBondContact O-N 2.72Å; R62-P66 WeakPolarHBondContact O-CD 3.36Å
63I84.7Confident87Confident63 Ų6360.8 Ų60.832%0.32331%0.311SS..Hα-helixtrans-70.8-44.8174.2-69172.1000110.7F59 L60 S61 P66F59-I63 HydrophobicContact CD1-CD1 3.75Å; F59-I63 HydrophobicContact CE1-CD1 3.29Å; F59-I63 HydrophobicContact CE1-CG1 4.3Å; F59-I63 HydrophobicContact CZ-CD1 3.83Å; F59-I63 PolarHBondContact O-N 3.1Å; F59-I63 VanDerWaalsContact O-N 3.16Å; L60-I63 PolarHBondContact O-N 3.02Å; S61-I63 PolarHBondContact O-N 2.96Å; I63-P66 WeakPolarHBondContact O-CD 3.42Å; I63-P66 WeakPolarHBondContact O-CG 3.45Å
64L88.7Confident88.7Confident0 Ų055 Ų550%028%0.284CS..Hα-helixtrans-71.1-34.3-176.2-78.1177.4000113P42 I48 L60 S61 W67 S68 L113P42-L64 HydrophobicContact CB-CD1 4.47Å; I48-L64 HydrophobicContact CB-CD2 3.88Å; I48-L64 HydrophobicContact CD1-CD2 3.56Å; I48-L64 HydrophobicContact CG1-CD2 4.28Å; I48-L64 HydrophobicContact CG2-CD1 3.94Å; I48-L64 HydrophobicContact CG2-CD2 3.49Å; I48-L64 VanDerWaalsContact CG2-CD2 3.49Å; I48-L64 HydrophobicContact CG2-CG 3.87Å; L60-L64 HydrophobicContact CD1-CD1 4.46Å; L60-L64 HydrophobicContact CD2-CD1 4.46Å; L60-L64 HydrophobicContact CG-CD1 3.93Å; L60-L64 HydrophobicContact CG-CG 4.38Å; L60-L64 WeakPolarHBondContact O-CB 3.2Å; L60-L64 WeakPolarHBondContact O-CG 3.33Å; L60-L64 PolarHBondContact O-N 3.37Å; S61-L64 PolarHBondContact O-N 3.4Å; L64-W67 CarbonylContact O-C 3.55Å; L64-W67 WeakPolarHBondContact O-CA 3.17Å; L64-W67 WeakPolarHBondContact O-CB 3.15Å; L64-W67 PolarHBondContact O-N 2.69Å; L64-S68 WeakPolarHBondContact O-CB 3.24Å; L64-S68 PolarHBondContact O-N 2.78Å; L64-S68 PolarHBondContact O-OG 2.89Å; L64-L113 HydrophobicContact CB-CD1 4.21Å; L64-L113 HydrophobicContact CB-CD2 3.85Å; L64-L113 HydrophobicContact CB-CG 4.03Å; L64-L113 HydrophobicContact CD1-CD2 3.81Å
65Y93.1Very high90.1Very high89 Ų8950 Ų5035%0.34925%0.25SS..Hα-helixtrans-44.5-55.8-175.2177-111.3000115.1I36 N38 S61 W67 S68 V69I36-Y65 HydrophobicContact CG2-CD2 4Å; I36-Y65 HydrophobicContact CG2-CE2 4.31Å; I36-Y65 WeakPolarHBondContact O-CE2 3.47Å; N38-Y65 HydrophobicContact CB-CD1 4.16Å; N38-Y65 HydrophobicContact CB-CD2 4.44Å; N38-Y65 HydrophobicContact CB-CG 4Å; S61-Y65 VanDerWaalsContact O-CB 3.28Å; S61-Y65 WeakPolarHBondContact O-CB 3.33Å; S61-Y65 PolarHBondContact O-N 3.41Å; Y65-W67 PolarHBondContact O-N 2.87Å; Y65-W67 VanDerWaalsContact O-N 3.14Å; Y65-S68 PolarHBondContact O-N 3.09Å; Y65-S68 VanDerWaalsContact O-N 3.11Å; Y65-V69 HydrophobicContact CD2-CG2 3.9Å; Y65-V69 HydrophobicContact CE2-CG2 3.41Å; Y65-V69 VanDerWaalsContact CE2-CG2 3.41Å; Y65-V69 PolarHBondContact O-N 3.31Å
66P93.9Very high91.3Very high39 Ų3949.4 Ų49.425%0.25325%0.248SC..Hα-helixtrans-64.8-17.2178.926.3-36.6000114.5R62 I63 S264 V265R62-P66 WeakPolarHBondContact O-CD 3.36Å; I63-P66 WeakPolarHBondContact O-CD 3.42Å; I63-P66 WeakPolarHBondContact O-CG 3.45Å; P66-S264 VanDerWaalsContact O-CA 3.3Å; P66-S264 WeakPolarHBondContact O-CA 3.5Å; P66-S264 WeakPolarHBondContact O-CB 3.29Å; P66-V265 PolarHBondContact O-N 2.93Å
67W93.9Very high92.1Very high13 Ų1349 Ų495%0.04924%0.242CC..Hα-helixtrans-97.2-14.5177.3-62.4105.9000113.5L64 Y65 P252 F256 I257 H260 G263 V265 L268L64-W67 CarbonylContact O-C 3.55Å; L64-W67 WeakPolarHBondContact O-CA 3.17Å; L64-W67 WeakPolarHBondContact O-CB 3.15Å; L64-W67 PolarHBondContact O-N 2.69Å; Y65-W67 PolarHBondContact O-N 2.87Å; Y65-W67 VanDerWaalsContact O-N 3.14Å; W67-P252 HydrophobicContact CE3-CB 4.26Å; W67-P252 HydrophobicContact CE3-CG 3.8Å; W67-P252 HydrophobicContact CZ3-CB 3.89Å; W67-P252 HydrophobicContact CZ3-CG 3.82Å; W67-F256 HydrophobicContact CH2-CD1 4.07Å; W67-F256 AromaticContact CH2-CE1 3.89Å; W67-F256 HydrophobicContact CH2-CE1 3.89Å; W67-F256 HydrophobicContact CZ3-CD1 4.37Å; W67-F256 HydrophobicContact CZ3-CE1 4.29Å; W67-I257 HydrophobicContact CB-CD1 4.28Å; W67-I257 HydrophobicContact CD2-CB 4.47Å; W67-I257 HydrophobicContact CD2-CD1 4.4Å; W67-I257 HydrophobicContact CD2-CG1 3.83Å; W67-I257 HydrophobicContact CD2-CG2 4.21Å; W67-I257 HydrophobicContact CE3-CG1 3.96Å; W67-I257 HydrophobicContact CG-CD1 4.3Å; W67-I257 HydrophobicContact CG-CG1 4.13Å; W67-I257 HydrophobicContact CG-CG2 4Å; W67-I257 HydrophobicContact CZ3-CG1 4.4Å; W67-H260 HydrophobicContact CH2-CB 4.16Å; W67-H260 HydrophobicContact CZ2-CB 3.89Å; W67-H260 VanDerWaalsContact CZ2-O 3.3Å; W67-H260 WeakPolarHBondContact CZ2-O 3.13Å; W67-G263 VanDerWaalsContact CZ2-C 3.44Å; W67-V265 HydrophobicContact CE3-CG2 4.24Å; W67-V265 VanDerWaalsContact O-CG2 3.23Å; W67-V265 WeakPolarHBondContact O-CG2 3.32Å; W67-L268 HydrophobicContact CZ3-CD1 3.96Å
68S94.5Very high93Very high2 Ų241.3 Ų41.31%0.01421%0.212CC..Hα-helixtrans-95.2-28-178.3-78.50000113.4T33 L64 Y65 H111T33-S68 WeakPolarHBondContact CG2-O 3.5Å; L64-S68 WeakPolarHBondContact O-CB 3.24Å; L64-S68 PolarHBondContact O-N 2.78Å; L64-S68 PolarHBondContact O-OG 2.89Å; Y65-S68 PolarHBondContact O-N 3.09Å; Y65-S68 VanDerWaalsContact O-N 3.11Å; S68-H111 WeakPolarHBondContact CB-O 3.48Å; S68-H111 PolarHBondContact O-ND1 2.67Å; S68-H111 PolarHBondContact OG-O 2.8Å
69V96.8Very high93.8Very high15 Ų1536.8 Ų36.89%0.09118%0.181CC..  trans-83.6126.4179.8-176.10000110.3I36 Y65 Q71 F299I36-V69 HydrophobicContact CB-CG2 4.18Å; I36-V69 HydrophobicContact CG2-CG2 4.24Å; Y65-V69 HydrophobicContact CD2-CG2 3.9Å; Y65-V69 HydrophobicContact CE2-CG2 3.41Å; Y65-V69 VanDerWaalsContact CE2-CG2 3.41Å; Y65-V69 PolarHBondContact O-N 3.31Å; V69-Q71 VanDerWaalsContact CG1-O 3.28Å; V69-Q71 WeakPolarHBondContact CG1-O 3.42Å; V69-F299 HydrophobicContact CB-CZ 4.28Å; V69-F299 HydrophobicContact CG1-CE1 4.04Å; V69-F299 HydrophobicContact CG1-CZ 3.83Å; V69-F299 WeakPolarHBondContact O-CE2 3.3Å; V69-F299 WeakPolarHBondContact O-CZ 3.1Å
70T97.7Very high94.5Very high1 Ų134.5 Ų34.51%0.00617%0.172CC..  trans-117.3-19.6177.164.80000112.9H29 N30 T33 V265 D298 F299H29-T70 PolarHBondContact O-OG1 3.14Å; N30-T70 HydrophobicContact CB-CG2 4.09Å; N30-T70 WeakPolarHBondContact CB-OG1 3.4Å; N30-T70 PolarHBondContact O-OG1 2.74Å; N30-T70 VanDerWaalsContact O-OG1 3.08Å; T33-T70 PolarHBondContact OG1-N 3.49Å; T33-T70 PolarHBondContact OG1-OG1 3.29Å; T70-V265 HydrophobicContact CG2-CG1 4.22Å; T70-D298 VanDerWaalsContact CB-OD1 3.25Å; T70-D298 WeakPolarHBondContact CB-OD1 3.5Å; T70-D298 CarbonylContact O-C 3.14Å; T70-F299 VanDerWaalsContact O-CD2 3.22Å; T70-F299 WeakPolarHBondContact O-CD2 3.33Å; T70-F299 VanDerWaalsContact O-CG 3.32Å; T70-F299 WeakPolarHBondContact O-CG 3.44Å; T70-F299 PolarHBondContact O-N 3.19Å
71Q98.1Very high95.1Very high2 Ų235.8 Ų35.81%0.00918%0.183CC..  trans-131.9147.6177.4-54.3-55.3-30.800110.8H29 T33 Y34 V69 I297 F299H29-Q71 PolarHBondContact O-NE2 3.33Å; T33-Q71 PolarHBondContact OG1-N 3.18Å; Y34-Q71 VanDerWaalsContact CA-O 3.22Å; Y34-Q71 WeakPolarHBondContact CA-O 3.22Å; Y34-Q71 WeakPolarHBondContact CB-O 3.48Å; Y34-Q71 PolarHBondContact N-O 3.05Å; V69-Q71 VanDerWaalsContact CG1-O 3.28Å; V69-Q71 WeakPolarHBondContact CG1-O 3.42Å; Q71-I297 PolarHBondContact NE2-O 2.82Å; Q71-F299 VanDerWaalsContact OE1-N 3.17Å
72S96.6Very high95.6Very high58 Ų5835.6 Ų35.641%0.40618%0.181SC..SBendtrans-101.6-17.3176.959.50000114T302S72-T302 WeakPolarHBondContact OG-CG2 3.29Å
73L98Very high96.2Very high49 Ų4926.8 Ų26.826%0.25715%0.148SC..SBendtrans-96.7146.9-176.9-70.9-171.3000111Y34 D77 Q78 A81 F300 A301Y34-L73 WeakPolarHBondContact CB-O 3.5Å; Y34-L73 WeakPolarHBondContact CD1-O 3.41Å; Y34-L73 VanDerWaalsContact CG-O 3.28Å; L73-D77 HydrophobicContact CB-CB 3.94Å; L73-D77 HydrophobicContact CD1-CB 4.28Å; L73-D77 HydrophobicContact CD2-CB 4.2Å; L73-D77 HydrophobicContact CG-CB 4.37Å; L73-Q78 HydrophobicContact CB-CG 3.7Å; L73-Q78 PolarHBondContact O-NE2 3.46Å; L73-A81 HydrophobicContact CD1-CB 4.42Å; L73-F300 HydrophobicContact CD1-CZ 4.05Å; L73-A301 HydrophobicContact CD1-CB 3.45Å; L73-A301 VanDerWaalsContact CD1-CB 3.45Å; L73-A301 HydrophobicContact CG-CB 3.85Å
74S98.4Very high96.9Very high23 Ų2323.8 Ų23.816%0.16113%0.133CC..  trans-6216017075.40000111.5V76 D77 Q78S74-V76 PolarHBondContact O-N 2.86Å; S74-D77 WeakPolarHBondContact CB-OD2 3.28Å; S74-D77 PolarHBondContact N-OD2 3.1Å; S74-D77 PolarHBondContact O-N 3.17Å; S74-D77 VanDerWaalsContact O-N 3.11Å; S74-D77 PolarHBondContact OG-N 3.27Å; S74-D77 VanDerWaalsContact OG-N 3.12Å; S74-D77 PolarHBondContact OG-OD2 3.48Å; S74-Q78 VanDerWaalsContact O-CG 3.25Å; S74-Q78 WeakPolarHBondContact O-CG 3.29Å; S74-Q78 PolarHBondContact O-N 3.06Å
75L98.6Very high97.4Very high0 Ų023.9 Ų23.90%013%0.133CC..Hα-helixtrans-58-38.4177.7-65.8-174.5000112S31 Y34 Q78 L79 F86 F88 E121 I125S31-L75 VanDerWaalsContact C-CD2 3.5Å; S31-L75 WeakPolarHBondContact O-CD2 3.3Å; Y34-L75 HydrophobicContact CE1-CG 4.16Å; L75-Q78 WeakPolarHBondContact O-CB 3.38Å; L75-Q78 PolarHBondContact O-N 2.96Å; L75-L79 WeakPolarHBondContact O-CG 3.36Å; L75-L79 PolarHBondContact O-N 3.14Å; L75-F86 HydrophobicContact CB-CE2 4.02Å; L75-F86 HydrophobicContact CB-CZ 4.01Å; L75-F86 HydrophobicContact CD1-CE2 4.44Å; L75-F86 HydrophobicContact CD2-CD1 4.29Å; L75-F86 HydrophobicContact CD2-CD2 4.28Å; L75-F86 HydrophobicContact CD2-CE1 4.02Å; L75-F86 HydrophobicContact CD2-CE2 4.03Å; L75-F86 HydrophobicContact CD2-CG 4.41Å; L75-F86 HydrophobicContact CD2-CZ 3.87Å; L75-F86 HydrophobicContact CG-CE2 4.4Å; L75-F86 HydrophobicContact CG-CZ 4.48Å; L75-F86 WeakPolarHBondContact O-CZ 3.47Å; L75-F88 HydrophobicContact CD1-CE1 3.9Å; L75-F88 HydrophobicContact CD1-CZ 3.6Å; L75-F88 HydrophobicContact CD2-CE1 4.3Å; L75-E121 HydrophobicContact CD1-CB 3.77Å; L75-E121 HydrophobicContact CD1-CG 4.06Å; L75-E121 WeakPolarHBondContact CD1-OE2 3.14Å; L75-E121 WeakPolarHBondContact CG-OE2 3.46Å; L75-I125 HydrophobicContact CB-CG1 4.37Å; L75-I125 HydrophobicContact CD1-CD1 3.83Å; L75-I125 HydrophobicContact CD1-CG1 4.35Å
76V98.5Very high97.6Very high43 Ų4319.6 Ų19.626%0.26112%0.116SC..Hα-helixtrans-64.2-45.8175.5177.60000111S74 Q78 L79 E80S74-V76 PolarHBondContact O-N 2.86Å; V76-Q78 PolarHBondContact O-N 3.01Å; V76-L79 WeakPolarHBondContact O-CB 3.06Å; V76-L79 PolarHBondContact O-N 3.26Å; V76-L79 VanDerWaalsContact O-N 3.09Å; V76-E80 HydrophobicContact CG1-CG 4.35Å; V76-E80 WeakPolarHBondContact O-CG 3.41Å; V76-E80 PolarHBondContact O-N 3.24Å
77D98.4Very high97.9Very high78 Ų7817.9 Ų17.942%0.41711%0.105SC..Hα-helixtrans-64-31.8177.7-62.4-41.8000112.1L73 S74 A81L73-D77 HydrophobicContact CB-CB 3.94Å; L73-D77 HydrophobicContact CD1-CB 4.28Å; L73-D77 HydrophobicContact CD2-CB 4.2Å; L73-D77 HydrophobicContact CG-CB 4.37Å; S74-D77 WeakPolarHBondContact CB-OD2 3.28Å; S74-D77 PolarHBondContact N-OD2 3.1Å; S74-D77 PolarHBondContact O-N 3.17Å; S74-D77 VanDerWaalsContact O-N 3.11Å; S74-D77 PolarHBondContact OG-N 3.27Å; S74-D77 VanDerWaalsContact OG-N 3.12Å; S74-D77 PolarHBondContact OG-OD2 3.48Å; D77-A81 VanDerWaalsContact O-CB 3.24Å; D77-A81 WeakPolarHBondContact O-CB 3.49Å; D77-A81 PolarHBondContact O-N 3.25Å
78Q98.6Very high98.1Very high0 Ų017.3 Ų17.30%010%0.103CC..Hα-helixtrans-67.3-40.5173.2-67-179.548.200111.9S28 S31 L73 S74 L75 V76 A81 G82 I83 F86 F300S28-Q78 VanDerWaalsContact CB-OE1 3.25Å; S28-Q78 PolarHBondContact OG-OE1 2.87Å; S31-Q78 PolarHBondContact O-NE2 2.88Å; L73-Q78 HydrophobicContact CB-CG 3.7Å; L73-Q78 PolarHBondContact O-NE2 3.46Å; S74-Q78 VanDerWaalsContact O-CG 3.25Å; S74-Q78 WeakPolarHBondContact O-CG 3.29Å; S74-Q78 PolarHBondContact O-N 3.06Å; L75-Q78 WeakPolarHBondContact O-CB 3.38Å; L75-Q78 PolarHBondContact O-N 2.96Å; V76-Q78 PolarHBondContact O-N 3.01Å; Q78-A81 CarbonylContact O-C 3.38Å; Q78-A81 PolarHBondContact O-N 2.87Å; Q78-G82 PolarHBondContact O-N 3.5Å; Q78-G82 VanDerWaalsContact O-N 3.1Å; Q78-I83 HydrophobicContact CB-CB 4.18Å; Q78-I83 HydrophobicContact CB-CG1 4.06Å; Q78-I83 WeakPolarHBondContact O-CB 3.06Å; Q78-I83 PolarHBondContact O-N 2.99Å; Q78-F86 HydrophobicContact CB-CE1 3.93Å; Q78-F86 HydrophobicContact CB-CZ 4.15Å; Q78-F300 HydrophobicContact CB-CE1 4.27Å; Q78-F300 HydrophobicContact CB-CZ 4.21Å; Q78-F300 HydrophobicContact CG-CE1 3.73Å; Q78-F300 HydrophobicContact CG-CZ 3.98Å
79L98.7Very high98.2Very high0 Ų018.7 Ų18.70%011%0.108CC..Hα-helixtrans-65-43.4174.3-67.3170000111.4L75 V76 A81 G82 I83 R84 F86 I125 F128 L137L75-L79 WeakPolarHBondContact O-CG 3.36Å; L75-L79 PolarHBondContact O-N 3.14Å; V76-L79 WeakPolarHBondContact O-CB 3.06Å; V76-L79 PolarHBondContact O-N 3.26Å; V76-L79 VanDerWaalsContact O-N 3.09Å; L79-A81 VanDerWaalsContact C-N 3.25Å; L79-A81 PolarHBondContact O-N 3.41Å; L79-G82 WeakPolarHBondContact O-CA 3.46Å; L79-G82 PolarHBondContact O-N 3.32Å; L79-I83 WeakPolarHBondContact CD2-O 3.23Å; L79-R84 PolarHBondContact O-NH1 3.31Å; L79-F86 HydrophobicContact CD1-CE2 4.23Å; L79-F86 HydrophobicContact CD1-CZ 4.4Å; L79-F86 HydrophobicContact CD2-CE2 3.87Å; L79-F86 HydrophobicContact CD2-CZ 3.74Å; L79-F86 HydrophobicContact CG-CE2 3.98Å; L79-F86 HydrophobicContact CG-CZ 3.71Å; L79-I125 HydrophobicContact CD1-CG1 4.23Å; L79-I125 HydrophobicContact CD1-CG2 4.4Å; L79-F128 HydrophobicContact CB-CD1 3.66Å; L79-F128 HydrophobicContact CB-CD2 3.73Å; L79-F128 HydrophobicContact CB-CE1 3.69Å; L79-F128 HydrophobicContact CB-CE2 3.74Å; L79-F128 HydrophobicContact CB-CG 3.7Å; L79-F128 HydrophobicContact CB-CZ 3.73Å; L79-F128 HydrophobicContact CD1-CB 3.75Å; L79-F128 HydrophobicContact CD1-CD1 3.56Å; L79-F128 HydrophobicContact CD1-CD2 4.47Å; L79-F128 HydrophobicContact CD1-CE1 4.33Å; L79-F128 HydrophobicContact CD1-CG 3.65Å; L79-F128 HydrophobicContact CD2-CD1 4.38Å; L79-F128 HydrophobicContact CD2-CE1 4.42Å; L79-F128 HydrophobicContact CG-CD1 4.04Å; L79-F128 HydrophobicContact CG-CE1 4.34Å; L79-F128 HydrophobicContact CG-CG 4.26Å; L79-L137 HydrophobicContact CD2-CD1 3.91Å; L79-L137 HydrophobicContact CD2-CD2 4.25Å
80E98.2Very high98.1Very high59 Ų5918 Ų1828%0.27610%0.103SC..Hα-helixtrans-61.2-36.7174.3-70-69.3170.400111.4R5 V76 G82 F128R5-E80 WeakPolarHBondContact CD-OE2 3.49Å; R5-E80 VanDerWaalsContact CG-OE2 3.28Å; R5-E80 WeakPolarHBondContact CG-OE2 3.36Å; R5-E80 IonicContact CZ-OE1 3.48Å; R5-E80 IonicContact CZ-OE2 3.32Å; R5-E80 IonicContact NE-OE1 2.75Å; R5-E80 PolarHBondContact NE-OE1 3.24Å; R5-E80 IonicContact NE-OE2 3.8Å; R5-E80 PolarHBondContact NE-OE2 2.85Å; R5-E80 IonicContact NH2-OE1 3.72Å; R5-E80 PolarHBondContact NH2-OE1 2.95Å; R5-E80 IonicContact NH2-OE2 3.93Å; V76-E80 HydrophobicContact CG1-CG 4.35Å; V76-E80 WeakPolarHBondContact O-CG 3.41Å; V76-E80 PolarHBondContact O-N 3.24Å; E80-G82 PolarHBondContact O-N 3.1Å; E80-F128 HydrophobicContact CG-CD2 4.09Å; E80-F128 HydrophobicContact CG-CE2 3.96Å; E80-F128 WeakPolarHBondContact OE1-CD2 3.22Å
81A97.7Very high97.9Very high29 Ų2918 Ų1824%0.2410%0.103CC..THydrogen-bonded Turntrans-75.2-6.9173.500000113.8P4 L73 D77 Q78 L79 F300 I308P4-A81 VanDerWaalsContact CB-O 3.29Å; P4-A81 WeakPolarHBondContact CB-O 3.39Å; L73-A81 HydrophobicContact CD1-CB 4.42Å; D77-A81 VanDerWaalsContact O-CB 3.24Å; D77-A81 WeakPolarHBondContact O-CB 3.49Å; D77-A81 PolarHBondContact O-N 3.25Å; Q78-A81 CarbonylContact O-C 3.38Å; Q78-A81 PolarHBondContact O-N 2.87Å; L79-A81 VanDerWaalsContact C-N 3.25Å; L79-A81 PolarHBondContact O-N 3.41Å; A81-F300 HydrophobicContact CB-CE2 3.82Å; A81-F300 HydrophobicContact CB-CZ 4Å; A81-I308 VanDerWaalsContact O-CG1 3.25Å; A81-I308 WeakPolarHBondContact O-CG1 3.49Å
82G98.3Very high97.6Very high0 Ų017.9 Ų17.90%010%0.103CC..THydrogen-bonded Turntrans101.58.9171.900000116.7P4 W7 P26 Q78 L79 E80P4-G82 WeakPolarHBondContact O-CA 3.41Å; W7-G82 PolarHBondContact NE1-O 2.93Å; P26-G82 VanDerWaalsContact CG-O 3.25Å; P26-G82 WeakPolarHBondContact CG-O 3.28Å; Q78-G82 PolarHBondContact O-N 3.5Å; Q78-G82 VanDerWaalsContact O-N 3.1Å; L79-G82 WeakPolarHBondContact O-CA 3.46Å; L79-G82 PolarHBondContact O-N 3.32Å; E80-G82 PolarHBondContact O-N 3.1Å
83I98.7Very high96.7Very high0 Ų020 Ų200%010%0.102CC..  trans-62.7137.3168.7-63.5-67.3000109.8P26 Q78 L79 Y85 F86 F300 Y307 I308P26-I83 HydrophobicContact CB-CD1 4.38Å; Q78-I83 HydrophobicContact CB-CB 4.18Å; Q78-I83 HydrophobicContact CB-CG1 4.06Å; Q78-I83 WeakPolarHBondContact O-CB 3.06Å; Q78-I83 PolarHBondContact O-N 2.99Å; L79-I83 WeakPolarHBondContact CD2-O 3.23Å; I83-Y85 VanDerWaalsContact CG2-O 3.22Å; I83-Y85 WeakPolarHBondContact CG2-O 3.11Å; I83-F86 HydrophobicContact CB-CE1 4.16Å; I83-F86 HydrophobicContact CG2-CD1 3.68Å; I83-F86 HydrophobicContact CG2-CE1 3.42Å; I83-F86 VanDerWaalsContact CG2-CE1 3.42Å; I83-F86 HydrophobicContact CG2-CZ 4.42Å; I83-F300 HydrophobicContact CD1-CD1 4.01Å; I83-F300 HydrophobicContact CD1-CD2 4.35Å; I83-F300 HydrophobicContact CD1-CE1 3.91Å; I83-F300 HydrophobicContact CD1-CE2 4.27Å; I83-F300 HydrophobicContact CD1-CG 4.24Å; I83-F300 HydrophobicContact CD1-CZ 4.05Å; I83-F300 HydrophobicContact CG1-CD1 4.26Å; I83-F300 HydrophobicContact CG1-CE1 3.63Å; I83-F300 HydrophobicContact CG1-CE2 4.08Å; I83-F300 HydrophobicContact CG1-CZ 3.53Å; I83-Y307 HydrophobicContact CD1-CD1 4.45Å; I83-Y307 HydrophobicContact CD1-CE1 3.93Å; I83-I308 HydrophobicContact CD1-CD1 3.59Å; I83-I308 HydrophobicContact CG1-CD1 4.09Å
84R98.8Very high95.1Very high0 Ų022.8 Ų22.80%011%0.114CC..  trans-134.111178.3-65.5-68.5176.3-92.51.5113.2R5 W7 M8 I25 P26 L79 E135 V136 I138R5-R84 PolarHBondContact O-NH2 3.17Å; W7-R84 HydrophobicContact CZ2-CB 4.21Å; W7-R84 HydrophobicContact CZ2-CG 3.86Å; M8-R84 HydrophobicContact CE-CB 3.62Å; M8-R84 HydrophobicContact CE-CG 3.78Å; M8-R84 HydrophobicContact CG-CG 4.4Å; M8-R84 HydrophobicContact SD-CB 4.31Å; M8-R84 HydrophobicContact SD-CG 3.89Å; I25-R84 HydrophobicContact CG2-CB 3.76Å; P26-R84 PolarHBondContact O-N 2.96Å; L79-R84 PolarHBondContact O-NH1 3.31Å; R84-E135 IonicContact CZ-OE2 2.68Å; R84-E135 IonicContact NE-OE2 3.4Å; R84-E135 PolarHBondContact NE-OE2 3.22Å; R84-E135 IonicContact NH2-OE2 3.38Å; R84-E135 PolarHBondContact NH2-OE2 3.08Å; R84-V136 WeakPolarHBondContact CD-O 3.41Å; R84-I138 PolarHBondContact O-N 3.5Å
85Y98.9Very high93.2Very high1 Ų130.6 Ų30.60%0.00415%0.145CC..EExtended strand (participates in β ladder)trans-135.3129.8168.4171.4-85.9000110.4P26 G27 S28 I83 D87 I138 D140 I211 V245 I294 L296P26-Y85 PolarHBondContact O-N 3.41Å; G27-Y85 VanDerWaalsContact CA-O 3.23Å; G27-Y85 WeakPolarHBondContact CA-O 3.34Å; S28-Y85 PolarHBondContact N-O 2.95Å; I83-Y85 VanDerWaalsContact CG2-O 3.22Å; I83-Y85 WeakPolarHBondContact CG2-O 3.11Å; Y85-D87 HydrophobicContact CE1-CB 4Å; Y85-I138 CarbonylContact C-O 3.56Å; Y85-I138 VanDerWaalsContact CA-O 3.29Å; Y85-I138 WeakPolarHBondContact CA-O 3.47Å; Y85-I138 HydrophobicContact CD2-CB 3.89Å; Y85-I138 HydrophobicContact CD2-CG2 3.68Å; Y85-I138 HydrophobicContact CE2-CG2 4.09Å; Y85-D140 HydrophobicContact CE2-CB 3.5Å; Y85-D140 VanDerWaalsContact CE2-CB 3.5Å; Y85-D140 WeakPolarHBondContact OH-CB 3.19Å; Y85-D140 PolarHBondContact OH-OD2 3.03Å; Y85-I211 HydrophobicContact CE2-CD1 3.69Å; Y85-V245 HydrophobicContact CE1-CG1 4.36Å; Y85-V245 HydrophobicContact CE2-CG2 4.08Å; Y85-I294 HydrophobicContact CD1-CG2 3.66Å; Y85-I294 HydrophobicContact CD2-CD1 3.7Å; Y85-I294 HydrophobicContact CD2-CG1 4.35Å; Y85-I294 HydrophobicContact CD2-CG2 3.7Å; Y85-I294 HydrophobicContact CE1-CG2 4.17Å; Y85-I294 HydrophobicContact CE2-CD1 4Å; Y85-I294 HydrophobicContact CE2-CG2 4.2Å; Y85-I294 HydrophobicContact CG-CD1 4.46Å; Y85-I294 HydrophobicContact CG-CG2 3.39Å; Y85-L296 HydrophobicContact CD1-CD1 3.78Å; Y85-L296 HydrophobicContact CE1-CD1 3.42Å; Y85-L296 VanDerWaalsContact CE1-CD1 3.42Å
86F98.9Very high91Very high0 Ų031.2 Ų31.20%015%0.149CC..EExtended strand (participates in β ladder)trans-116.9128.3175-70.7-29.8000112.2S31 L75 Q78 L79 I83 F88 I125 L137 I138 D140S31-F86 VanDerWaalsContact CB-CD1 3.46Å; S31-F86 VanDerWaalsContact OG-CA 3.27Å; S31-F86 WeakPolarHBondContact OG-CA 3.48Å; S31-F86 VanDerWaalsContact OG-CD1 3.3Å; S31-F86 WeakPolarHBondContact OG-CD1 3.42Å; L75-F86 HydrophobicContact CB-CE2 4.02Å; L75-F86 HydrophobicContact CB-CZ 4.01Å; L75-F86 HydrophobicContact CD1-CE2 4.44Å; L75-F86 HydrophobicContact CD2-CD1 4.29Å; L75-F86 HydrophobicContact CD2-CD2 4.28Å; L75-F86 HydrophobicContact CD2-CE1 4.02Å; L75-F86 HydrophobicContact CD2-CE2 4.03Å; L75-F86 HydrophobicContact CD2-CG 4.41Å; L75-F86 HydrophobicContact CD2-CZ 3.87Å; L75-F86 HydrophobicContact CG-CE2 4.4Å; L75-F86 HydrophobicContact CG-CZ 4.48Å; L75-F86 WeakPolarHBondContact O-CZ 3.47Å; Q78-F86 HydrophobicContact CB-CE1 3.93Å; Q78-F86 HydrophobicContact CB-CZ 4.15Å; L79-F86 HydrophobicContact CD1-CE2 4.23Å; L79-F86 HydrophobicContact CD1-CZ 4.4Å; L79-F86 HydrophobicContact CD2-CE2 3.87Å; L79-F86 HydrophobicContact CD2-CZ 3.74Å; L79-F86 HydrophobicContact CG-CE2 3.98Å; L79-F86 HydrophobicContact CG-CZ 3.71Å; I83-F86 HydrophobicContact CB-CE1 4.16Å; I83-F86 HydrophobicContact CG2-CD1 3.68Å; I83-F86 HydrophobicContact CG2-CE1 3.42Å; I83-F86 VanDerWaalsContact CG2-CE1 3.42Å; I83-F86 HydrophobicContact CG2-CZ 4.42Å; F86-F88 HydrophobicContact CB-CD1 3.97Å; F86-F88 HydrophobicContact CB-CE1 3.66Å; F86-F88 HydrophobicContact CB-CZ 4.42Å; F86-F88 HydrophobicContact CD2-CE1 4.2Å; F86-F88 HydrophobicContact CD2-CZ 4.38Å; F86-F88 HydrophobicContact CG-CE1 4.15Å; F86-I125 HydrophobicContact CD2-CD1 3.93Å; F86-I125 HydrophobicContact CE2-CD1 3.88Å; F86-I125 HydrophobicContact CE2-CG1 4.07Å; F86-L137 HydrophobicContact CD2-CD1 3.83Å; F86-L137 HydrophobicContact CD2-CD2 3.9Å; F86-L137 HydrophobicContact CD2-CG 4.41Å; F86-L137 HydrophobicContact CE2-CD1 4.1Å; F86-L137 HydrophobicContact CE2-CD2 4.02Å; F86-L137 HydrophobicContact CG-CD1 4.17Å; F86-I138 PolarHBondContact N-O 3.13Å; F86-D140 PolarHBondContact O-N 3.36Å
87D98.6Very high88.9Confident3 Ų330.7 Ų30.72%0.01614%0.144CC..EExtended strand (participates in β ladder)trans-94.1111.7173.217335.5000109.5S28 H29 N30 S31 Y85 L296S28-D87 PolarHBondContact O-N 3.27Å; H29-D87 IonicContact CD2-OD2 2.6Å; H29-D87 PolarHBondContact CD2-OD2 2.83Å; H29-D87 IonicContact NE2-OD2 2.82Å; N30-D87 CarbonylContact C-O 3.59Å; N30-D87 VanDerWaalsContact CA-O 3.27Å; N30-D87 WeakPolarHBondContact CA-O 3.33Å; N30-D87 PolarHBondContact N-OD2 2.8Å; N30-D87 VanDerWaalsContact N-OD2 3.1Å; N30-D87 PolarHBondContact OD1-OD2 2.58Å; S31-D87 PolarHBondContact N-O 3.04Å; S31-D87 PolarHBondContact OG-N 3.3Å; S31-D87 VanDerWaalsContact OG-N 3.09Å; Y85-D87 HydrophobicContact CE1-CB 4Å; D87-L296 HydrophobicContact CB-CD1 3.89Å
88F98.2Very high86.7Confident0 Ų033.6 Ų33.60%016%0.16CC..EExtended strand (participates in β ladder)trans-111.1142.2-175.8-82.216.2000111.5F32 L75 F86 L109 L118 L122 I125 V139 D140 C141 N142F32-F88 AromaticContact CD1-CD1 3.89Å; F32-F88 HydrophobicContact CD1-CD1 3.89Å; F32-F88 HydrophobicContact CD1-CE1 4.39Å; F32-F88 HydrophobicContact CD1-CG 4.45Å; L75-F88 HydrophobicContact CD1-CE1 3.9Å; L75-F88 HydrophobicContact CD1-CZ 3.6Å; L75-F88 HydrophobicContact CD2-CE1 4.3Å; F86-F88 HydrophobicContact CB-CD1 3.97Å; F86-F88 HydrophobicContact CB-CE1 3.66Å; F86-F88 HydrophobicContact CB-CZ 4.42Å; F86-F88 HydrophobicContact CD2-CE1 4.2Å; F86-F88 HydrophobicContact CD2-CZ 4.38Å; F86-F88 HydrophobicContact CG-CE1 4.15Å; F88-L109 HydrophobicContact CB-CD2 4.04Å; F88-L109 HydrophobicContact CD1-CD2 4.27Å; F88-L109 HydrophobicContact CD2-CD2 3.63Å; F88-L109 HydrophobicContact CE2-CD2 4.1Å; F88-L109 HydrophobicContact CG-CD2 3.72Å; F88-L118 HydrophobicContact CD2-CD1 3.97Å; F88-L118 HydrophobicContact CE2-CD1 3.9Å; F88-L122 HydrophobicContact CE2-CD2 3.97Å; F88-I125 HydrophobicContact CZ-CD1 4.08Å; F88-V139 HydrophobicContact CD2-CG1 3.69Å; F88-V139 HydrophobicContact CE2-CG1 3.86Å; F88-V139 HydrophobicContact CG-CG1 4.15Å; F88-V139 HydrophobicContact CZ-CG1 4.43Å; F88-D140 PolarHBondContact N-O 2.88Å; F88-C141 CarbonylContact O-C 3.41Å; F88-C141 WeakPolarHBondContact O-CA 3.48Å; F88-N142 PolarHBondContact O-N 2.97Å; F88-N142 VanDerWaalsContact O-N 3.07Å
89R97.2Very high84.5Confident32 Ų3237.5 Ų37.512%0.12118%0.177CC..EExtended strand (participates in β ladder)trans-126.5126.6168.5-59.6-170.5-172.6-157.8-2.4108.4N30 F32 L109 V110 H143 Y145N30-R89 WeakPolarHBondContact OD1-CD 3.45Å; N30-R89 WeakPolarHBondContact OD1-CG 3.48Å; N30-R89 PolarHBondContact OD1-NE 3.24Å; F32-R89 HydrophobicContact CE1-CB 4.3Å; F32-R89 HydrophobicContact CZ-CB 4.06Å; R89-L109 VanDerWaalsContact O-CA 3.29Å; R89-L109 WeakPolarHBondContact O-CA 3.42Å; R89-V110 HydrophobicContact CB-CG2 4.27Å; R89-V110 VanDerWaalsContact CB-O 3.24Å; R89-V110 WeakPolarHBondContact CB-O 3.35Å; R89-V110 PolarHBondContact O-N 3.16Å; R89-H143 WeakPolarHBondContact CA-O 3.33Å; R89-H143 HydrophobicContact CB-CB 4.19Å; R89-H143 HydrophobicContact CG-CB 3.95Å; R89-Y145 HydrophobicContact CB-CE2 4.34Å
90I95.8Very high82.3Confident0 Ų039.6 Ų39.60%019%0.191CC..EExtended strand (participates in β ladder)trans-124135.1-168.6-56.9178.1000109.8F107 Y108 L109 L118 C141 H143 C144 Y145 F147 F156I90-F107 HydrophobicContact CG2-CB 3.99Å; I90-F107 HydrophobicContact CG2-CD1 4.11Å; I90-F107 HydrophobicContact CG2-CG 4.45Å; I90-Y108 WeakPolarHBondContact CA-O 3.34Å; I90-L109 HydrophobicContact CG1-CD2 3.94Å; I90-L118 HydrophobicContact CD1-CD1 3.9Å; I90-L118 HydrophobicContact CD1-CD2 3.99Å; I90-C141 HydrophobicContact CD1-CB 4.06Å; I90-C141 WeakPolarHBondContact CD1-SG 3.45Å; I90-H143 PolarHBondContact N-O 2.73Å; I90-C144 CarbonylContact O-C 3.6Å; I90-C144 WeakPolarHBondContact O-CA 3.32Å; I90-Y145 PolarHBondContact O-N 3.29Å; I90-F147 HydrophobicContact CB-CE2 4.47Å; I90-F147 HydrophobicContact CB-CZ 4.45Å; I90-F147 HydrophobicContact CG2-CE2 4.05Å; I90-F147 HydrophobicContact CG2-CZ 3.9Å; I90-F156 HydrophobicContact CD1-CE2 3.55Å; I90-F156 HydrophobicContact CD1-CZ 4.03Å
91C93.4Very high80.3Confident0 Ų045.8 Ų45.80%022%0.217CC..EExtended strand (participates in β ladder)trans-114.8128.7171.7173.10000110.2F107 Y108 V110 Y114 Y145C91-F107 WeakPolarHBondContact O-CA 3.2Å; C91-Y108 PolarHBondContact N-O 3.01Å; C91-Y108 PolarHBondContact O-N 3.09Å; C91-V110 HydrophobicContact CB-CB 4.4Å; C91-V110 HydrophobicContact CB-CG1 3.55Å; C91-V110 HydrophobicContact CB-CG2 3.89Å; C91-Y114 HydrophobicContact CB-CE1 4.31Å; C91-Y145 WeakPolarHBondContact CA-O 3.22Å
92A90.2Very high78.2Confident0 Ų050.8 Ų50.80%024%0.24CC..EExtended strand (participates in β ladder)trans-80.612116500000109.1Q94 F107 Y145 Y146 F147A92-Q94 PolarHBondContact O-N 2.97Å; A92-F107 HydrophobicContact CB-CD1 3.97Å; A92-F107 HydrophobicContact CB-CE1 3.65Å; A92-Y145 PolarHBondContact N-O 2.81Å; A92-Y146 WeakPolarHBondContact CB-O 3.49Å; A92-Y146 WeakPolarHBondContact O-CB 3.39Å; A92-F147 HydrophobicContact CB-CD2 4.04Å; A92-F147 HydrophobicContact CB-CE2 3.98Å
93R79.2Confident76Confident104 Ų10453.4 Ų53.439%0.39227%0.266SS..  trans-88.5112.1178.6-164.3174.1-179.5-170-0.5109.9K95 C96 G106 Y108R93-K95 VanDerWaalsContact C-N 3.26Å; R93-K95 PolarHBondContact O-N 2.81Å; R93-C96 WeakPolarHBondContact O-CB 3.25Å; R93-C96 PolarHBondContact O-N 2.91Å; R93-G106 PolarHBondContact N-O 3.29Å; R93-Y108 HydrophobicContact CB-CD2 4.25Å; R93-Y108 HydrophobicContact CB-CE2 4.33Å
94Q63Low73.9Confident107 Ų10759.2 Ų59.250%0.529%0.294SS..G310 helixtrans-48.6-41.2-172.5-146.2118.822.100114.5A92 C96 L97 E148A92-Q94 PolarHBondContact O-N 2.97Å; Q94-C96 PolarHBondContact O-N 3.09Å; Q94-C96 VanDerWaalsContact O-N 3.16Å; Q94-L97 PolarHBondContact O-N 3.15Å; Q94-E148 PolarHBondContact NE2-OE2 3.49Å
95K58.9Low72.3Confident186 Ų18660 Ų6081%0.80930%0.299SS*.G310 helixtrans-66-14.9179.5-68.5-170.5177.7-173.80114.1R93R93-K95 VanDerWaalsContact C-N 3.26Å; R93-K95 PolarHBondContact O-N 2.81Å
96C53.7Low71.6Confident14 Ų1460 Ų6010%0.09530%0.3CS..G310 helixtrans-105-2.7-174.1-61.40000113.4R93 Q94 K99 C100 G106R93-C96 WeakPolarHBondContact O-CB 3.25Å; R93-C96 PolarHBondContact O-N 2.91Å; Q94-C96 PolarHBondContact O-N 3.09Å; Q94-C96 VanDerWaalsContact O-N 3.16Å; C96-K99 HydrophobicContact CB-CD 4.31Å; C96-K99 CarbonylContact O-C 3.59Å; C96-K99 VanDerWaalsContact O-CA 3.3Å; C96-K99 WeakPolarHBondContact O-CA 3.49Å; C96-K99 WeakPolarHBondContact O-CB 3.22Å; C96-K99 PolarHBondContact O-N 3.17Å; C96-C100 PolarHBondContact O-N 2.64Å; C96-G106 VanDerWaalsContact CB-CA 3.46Å
97L53.5Low71.3Confident31 Ų3160 Ų6016%0.16230%0.3CS..G310 helixtrans-73.6-31.6-178.1-68161000112.8Q94 K99 C100 Q152Q94-L97 PolarHBondContact O-N 3.15Å; L97-K99 PolarHBondContact O-N 3.29Å; L97-K99 VanDerWaalsContact O-N 3.17Å; L97-C100 WeakPolarHBondContact O-CB 3.42Å; L97-C100 PolarHBondContact O-N 2.68Å; L97-C100 VanDerWaalsContact O-N 3.08Å; L97-Q152 HydrophobicContact CD1-CG 3.31Å; L97-Q152 HydrophobicContact CD2-CB 4.22Å; L97-Q152 HydrophobicContact CD2-CG 3.52Å; L97-Q152 HydrophobicContact CG-CG 3.99Å
98N53.1Low71.2Confident140 Ų14062.4 Ų62.475%0.74931%0.309SS*.G310 helixtrans-61.4-21.5165.9-65.8-14.9000111.9
99K51.8Low71.1Confident82 Ų8262.4 Ų62.436%0.35731%0.309SS..G310 helixtrans-84.9-9.2175.7-57.3-177160.1-159.10114.3C96 L97 K101 N102 G103 E104C96-K99 HydrophobicContact CB-CD 4.31Å; C96-K99 CarbonylContact O-C 3.59Å; C96-K99 VanDerWaalsContact O-CA 3.3Å; C96-K99 WeakPolarHBondContact O-CA 3.49Å; C96-K99 WeakPolarHBondContact O-CB 3.22Å; C96-K99 PolarHBondContact O-N 3.17Å; L97-K99 PolarHBondContact O-N 3.29Å; L97-K99 VanDerWaalsContact O-N 3.17Å; K99-K101 PolarHBondContact O-N 2.65Å; K99-K101 VanDerWaalsContact O-N 3.09Å; K99-N102 CarbonylContact O-C 3.57Å; K99-N102 WeakPolarHBondContact O-CA 3.34Å; K99-N102 PolarHBondContact O-N 3.5Å; K99-G103 PolarHBondContact O-N 2.96Å; K99-E104 IonicContact NZ-OE2 2.9Å; K99-E104 PolarHBondContact NZ-OE2 2.66Å
100C53Low71Confident43 Ų4360.9 Ų60.929%0.29130%0.303SS..G310 helixtrans-54.5-29.7168.9-71.50000110.9C96 L97 N102 C155C96-C100 PolarHBondContact O-N 2.64Å; L97-C100 WeakPolarHBondContact O-CB 3.42Å; L97-C100 PolarHBondContact O-N 2.68Å; L97-C100 VanDerWaalsContact O-N 3.08Å; C100-N102 VanDerWaalsContact C-N 3.31Å; C100-N102 PolarHBondContact O-N 2.82Å; C100-C155 HydrophobicContact CB-CB 3.92Å; C100-C155 WeakPolarHBondContact CB-SG 3.27Å; C100-C155 WeakPolarHBondContact SG-CB 3.37Å; C100-C155 CovalentContact SG-SG 2.03Å; C100-C155 PolarHBondContact SG-SG 2.79Å
101K54.9Low70.9Confident189 Ų18962.3 Ų62.382%0.82231%0.31SS*.G310 helixtrans-68.2-22.8172-64.7-174176.5-176.70114.7K99K99-K101 PolarHBondContact O-N 2.65Å; K99-K101 VanDerWaalsContact O-N 3.09Å
102N54.8Low70.8Confident135 Ų13562.3 Ų62.372%0.72231%0.31SS*.G310 helixtrans-108.710.1-173.9-64.9-1.3000113.5K99 C100 E104K99-N102 CarbonylContact O-C 3.57Å; K99-N102 WeakPolarHBondContact O-CA 3.34Å; K99-N102 PolarHBondContact O-N 3.5Å; C100-N102 VanDerWaalsContact C-N 3.31Å; C100-N102 PolarHBondContact O-N 2.82Å; N102-E104 VanDerWaalsContact C-N 3.35Å; N102-E104 PolarHBondContact O-N 2.76Å
103G50.5Low71Confident54 Ų5462.3 Ų62.356%0.55731%0.31SS*.THydrogen-bonded Turntrans83.2-5.5171.600000116.8K99K99-G103 PolarHBondContact O-N 2.96Å
104E54.7Low71.7Confident123 Ų12359 Ų5958%0.57530%0.298SS*.  trans-93.6108.5169.5-74.6-173.9164.100110K99 N102 G106K99-E104 IonicContact NZ-OE2 2.9Å; K99-E104 PolarHBondContact NZ-OE2 2.66Å; N102-E104 VanDerWaalsContact C-N 3.35Å; N102-E104 PolarHBondContact O-N 2.76Å; E104-G106 PolarHBondContact O-N 3.17Å
105S65Low73.2Confident16 Ų1654.3 Ų54.311%0.11228%0.278CS..  trans-73.7124.6-179.459.20000111.3F107 S119 T159S105-F107 PolarHBondContact O-N 3.45Å; S105-S119 WeakPolarHBondContact OG-CB 3.5Å; S105-S119 PolarHBondContact OG-OG 3.1Å; S105-T159 WeakPolarHBondContact CB-OG1 3.39Å; S105-T159 VanDerWaalsContact OG-CG2 3.26Å; S105-T159 WeakPolarHBondContact OG-CG2 3.45Å
106G85.4Confident75Confident2 Ų248.6 Ų48.62%0.02126%0.256CS..  trans-77.623.3-176.400000115.4R93 C96 E104R93-G106 PolarHBondContact N-O 3.29Å; C96-G106 VanDerWaalsContact CB-CA 3.46Å; E104-G106 PolarHBondContact O-N 3.17Å
107F93.2Very high77Confident0 Ų050.8 Ų50.80%027%0.266CS..EExtended strand (participates in β ladder)trans-103.1119.8-174.2-59.9-75.4000111I90 C91 A92 S105 L118 F147 Q152 C155 F156 T159I90-F107 HydrophobicContact CG2-CB 3.99Å; I90-F107 HydrophobicContact CG2-CD1 4.11Å; I90-F107 HydrophobicContact CG2-CG 4.45Å; C91-F107 WeakPolarHBondContact O-CA 3.2Å; A92-F107 HydrophobicContact CB-CD1 3.97Å; A92-F107 HydrophobicContact CB-CE1 3.65Å; S105-F107 PolarHBondContact O-N 3.45Å; F107-L118 HydrophobicContact CB-CB 4.09Å; F107-L118 HydrophobicContact CB-CD2 4.15Å; F107-L118 PolarHBondContact O-N 2.9Å; F107-F147 HydrophobicContact CD1-CE2 4.13Å; F107-F147 AromaticContact CD1-CZ 3.7Å; F107-F147 HydrophobicContact CD1-CZ 3.7Å; F107-F147 HydrophobicContact CE1-CE1 4.04Å; F107-F147 HydrophobicContact CE1-CE2 4.14Å; F107-F147 AromaticContact CE1-CZ 3.63Å; F107-F147 HydrophobicContact CE1-CZ 3.63Å; F107-Q152 WeakPolarHBondContact CZ-O 3.44Å; F107-C155 HydrophobicContact CE2-CB 4.24Å; F107-C155 HydrophobicContact CZ-CB 4.25Å; F107-F156 HydrophobicContact CD1-CB 4.35Å; F107-F156 HydrophobicContact CD1-CD2 4.3Å; F107-F156 HydrophobicContact CD2-CB 4.49Å; F107-F156 HydrophobicContact CE1-CB 3.72Å; F107-F156 HydrophobicContact CE1-CD2 4.49Å; F107-F156 VanDerWaalsContact CE2-CA 3.41Å; F107-F156 HydrophobicContact CE2-CB 3.92Å; F107-F156 HydrophobicContact CG-CD2 4.36Å; F107-F156 VanDerWaalsContact CZ-CA 3.49Å; F107-F156 HydrophobicContact CZ-CB 3.51Å; F107-T159 HydrophobicContact CD2-CG2 4.5Å
108Y94.6Very high79Confident53 Ų5349.3 Ų49.321%0.20826%0.259CS..EExtended strand (participates in β ladder)trans-113.6145.3177.8-70-100.7000109.7I90 C91 R93 Y114 L117I90-Y108 WeakPolarHBondContact CA-O 3.34Å; C91-Y108 PolarHBondContact N-O 3.01Å; C91-Y108 PolarHBondContact O-N 3.09Å; R93-Y108 HydrophobicContact CB-CD2 4.25Å; R93-Y108 HydrophobicContact CB-CE2 4.33Å; Y108-Y114 HydrophobicContact CD1-CD1 4.26Å; Y108-Y114 AromaticContact CG-CD1 3.94Å; Y108-Y114 HydrophobicContact CG-CD1 3.94Å; Y108-Y114 HydrophobicContact CG-CE1 4.28Å; Y108-L117 HydrophobicContact CD1-CD2 3.94Å; Y108-L117 HydrophobicContact CD1-CG 4.33Å; Y108-L117 HydrophobicContact CD2-CD2 3.97Å; Y108-L117 HydrophobicContact CE1-CD2 3.58Å; Y108-L117 HydrophobicContact CE1-CG 3.91Å; Y108-L117 HydrophobicContact CE2-CD2 3.58Å; Y108-L117 HydrophobicContact CG-CD2 4.13Å
109L96.6Very high81Confident0 Ų044 Ų440%023%0.233CC..EExtended strand (participates in β ladder)trans-78143.7167.1-65.1153.1000109F32 F88 R89 I90 A115 N116 L118 E121F32-L109 HydrophobicContact CB-CB 4.07Å; F32-L109 HydrophobicContact CB-CD1 3.66Å; F32-L109 HydrophobicContact CB-CD2 4.42Å; F32-L109 HydrophobicContact CB-CG 4.26Å; F32-L109 HydrophobicContact CD1-CB 4.13Å; F32-L109 HydrophobicContact CD1-CD2 3.82Å; F32-L109 HydrophobicContact CD1-CG 4.39Å; F32-L109 HydrophobicContact CD2-CB 3.4Å; F32-L109 VanDerWaalsContact CD2-CB 3.4Å; F32-L109 HydrophobicContact CD2-CG 4.4Å; F32-L109 HydrophobicContact CE1-CD2 4.29Å; F32-L109 HydrophobicContact CE2-CB 3.82Å; F32-L109 HydrophobicContact CG-CB 3.57Å; F32-L109 HydrophobicContact CG-CD1 4.04Å; F32-L109 HydrophobicContact CG-CD2 4.02Å; F32-L109 HydrophobicContact CG-CG 4.07Å; F32-L109 HydrophobicContact CZ-CB 4.37Å; F88-L109 HydrophobicContact CB-CD2 4.04Å; F88-L109 HydrophobicContact CD1-CD2 4.27Å; F88-L109 HydrophobicContact CD2-CD2 3.63Å; F88-L109 HydrophobicContact CE2-CD2 4.1Å; F88-L109 HydrophobicContact CG-CD2 3.72Å; R89-L109 VanDerWaalsContact O-CA 3.29Å; R89-L109 WeakPolarHBondContact O-CA 3.42Å; I90-L109 HydrophobicContact CG1-CD2 3.94Å; L109-A115 HydrophobicContact CB-CB 4.09Å; L109-A115 WeakPolarHBondContact O-CA 3.44Å; L109-A115 VanDerWaalsContact O-CB 3.28Å; L109-A115 WeakPolarHBondContact O-CB 3.46Å; L109-A115 PolarHBondContact O-N 3.48Å; L109-N116 PolarHBondContact N-O 2.8Å; L109-L118 HydrophobicContact CD2-CD1 4.15Å; L109-L118 HydrophobicContact CG-CD1 4.42Å; L109-E121 HydrophobicContact CD1-CB 3.97Å; L109-E121 HydrophobicContact CD1-CG 3.55Å
110V95.6Very high83Confident0 Ų042.4 Ų42.40%023%0.234CC..EExtended strand (participates in β ladder)trans-143.6139-170.4-66.30000113.2F32 D45 R89 C91 Y114 Y145F32-V110 WeakPolarHBondContact CZ-O 3.26Å; D45-V110 HydrophobicContact CB-CG2 4.27Å; R89-V110 HydrophobicContact CB-CG2 4.27Å; R89-V110 VanDerWaalsContact CB-O 3.24Å; R89-V110 WeakPolarHBondContact CB-O 3.35Å; R89-V110 PolarHBondContact O-N 3.16Å; C91-V110 HydrophobicContact CB-CB 4.4Å; C91-V110 HydrophobicContact CB-CG1 3.55Å; C91-V110 HydrophobicContact CB-CG2 3.89Å; V110-Y114 HydrophobicContact CG1-CD1 3.58Å; V110-Y114 HydrophobicContact CG1-CE1 3.73Å; V110-Y114 HydrophobicContact CG1-CG 4.28Å; V110-Y145 HydrophobicContact CG2-CD2 3.89Å; V110-Y145 HydrophobicContact CG2-CE2 4.2Å
111H94.7Very high85.2Confident29 Ų2940.4 Ų40.413%0.13422%0.221CC..SBendtrans-152.984.5166.8-176.7-125.2000109.8N30 F32 T33 I36 D45 S68 L113N30-H111 PolarHBondContact ND2-CD2 3.25Å; N30-H111 PolarHBondContact ND2-NE2 3.2Å; F32-H111 HydrophobicContact CE2-CB 4.18Å; F32-H111 HydrophobicContact CZ-CB 4.17Å; T33-H111 HydrophobicContact CG2-CB 3.63Å; I36-H111 HydrophobicContact CD1-CB 4.27Å; D45-H111 WeakPolarHBondContact OD2-CA 3.12Å; S68-H111 WeakPolarHBondContact CB-O 3.48Å; S68-H111 PolarHBondContact O-ND1 2.67Å; S68-H111 PolarHBondContact OG-O 2.8Å; H111-L113 PolarHBondContact N-O 3.46Å; H111-L113 PolarHBondContact O-N 3.09Å
112G91.4Very high87.2Confident1 Ų131.4 Ų31.41%0.0118%0.182CC..SBendtrans66.3-29.5-169.400000115.6S43 D45S43-G112 PolarHBondContact N-O 2.82Å; S43-G112 WeakPolarHBondContact OG-CA 3.48Å; S43-G112 PolarHBondContact OG-N 2.85Å; S43-G112 PolarHBondContact OG-O 2.76Å; D45-G112 VanDerWaalsContact CG-N 3.34Å; D45-G112 WeakPolarHBondContact OD1-CA 3.3Å; D45-G112 PolarHBondContact OD1-N 3.22Å; D45-G112 VanDerWaalsContact OD1-N 3.1Å; D45-G112 PolarHBondContact OD2-N 2.87Å
113L93.1Very high89.3Confident0 Ų030 Ų300%017%0.171CC..BIsolated β-bridgetrans-124.9155.4167.6-58.3178.8000110.1I36 P41 P42 S43 L64 H111I36-L113 HydrophobicContact CD1-CB 4.38Å; I36-L113 HydrophobicContact CG2-CB 3.73Å; I36-L113 HydrophobicContact CG2-CD1 3.61Å; I36-L113 HydrophobicContact CG2-CG 4.24Å; P41-L113 WeakPolarHBondContact O-CA 3.33Å; P42-L113 HydrophobicContact CB-CD2 4.46Å; P42-L113 HydrophobicContact CG-CD2 4.38Å; S43-L113 WeakPolarHBondContact OG-CA 3.47Å; S43-L113 PolarHBondContact OG-N 2.82Å; S43-L113 PolarHBondContact OG-O 3.02Å; L64-L113 HydrophobicContact CB-CD1 4.21Å; L64-L113 HydrophobicContact CB-CD2 3.85Å; L64-L113 HydrophobicContact CB-CG 4.03Å; L64-L113 HydrophobicContact CD1-CD2 3.81Å; H111-L113 PolarHBondContact N-O 3.46Å; H111-L113 PolarHBondContact O-N 3.09Å
114Y93.7Very high91.5Very high33 Ų3329.9 Ų29.913%0.12916%0.161CC..EExtended strand (participates in β ladder)trans-68.2134.6171-78.1-82.4000111.8S40 P41 P42 P44 C91 Y108 V110S40-Y114 WeakPolarHBondContact CB-O 3.38Å; S40-Y114 PolarHBondContact OG-O 3.44Å; P41-Y114 HydrophobicContact CB-CD2 4.21Å; P41-Y114 HydrophobicContact CG-CD2 3.77Å; P41-Y114 HydrophobicContact CG-CG 4.25Å; P41-Y114 WeakPolarHBondContact O-CD2 3.33Å; P41-Y114 PolarHBondContact O-N 2.92Å; P42-Y114 WeakPolarHBondContact O-CD2 3.08Å; P42-Y114 VanDerWaalsContact O-CE2 3.32Å; P42-Y114 WeakPolarHBondContact O-CE2 3.3Å; P44-Y114 WeakPolarHBondContact CD-OH 3.47Å; C91-Y114 HydrophobicContact CB-CE1 4.31Å; Y108-Y114 HydrophobicContact CD1-CD1 4.26Å; Y108-Y114 AromaticContact CG-CD1 3.94Å; Y108-Y114 HydrophobicContact CG-CD1 3.94Å; Y108-Y114 HydrophobicContact CG-CE1 4.28Å; V110-Y114 HydrophobicContact CG1-CD1 3.58Å; V110-Y114 HydrophobicContact CG1-CE1 3.73Å; V110-Y114 HydrophobicContact CG1-CG 4.28Å
115A95.9Very high93.6Very high10 Ų1024 Ų248%0.08313%0.134CC..EExtended strand (participates in β ladder)trans-105.6-160.6172.300000110F32 S35 I36 L109F32-A115 HydrophobicContact CD2-CB 3.62Å; F32-A115 HydrophobicContact CE2-CB 4.09Å; S35-A115 WeakPolarHBondContact OG-CB 3.1Å; I36-A115 HydrophobicContact CD1-CB 4.33Å; I36-A115 HydrophobicContact CG1-CB 3.69Å; L109-A115 HydrophobicContact CB-CB 4.09Å; L109-A115 WeakPolarHBondContact O-CA 3.44Å; L109-A115 VanDerWaalsContact O-CB 3.28Å; L109-A115 WeakPolarHBondContact O-CB 3.46Å; L109-A115 PolarHBondContact O-N 3.48Å
116N95.8Very high95.2Very high65 Ų6523.9 Ų23.935%0.34813%0.132SC..EExtended strand (participates in β ladder)trans-63.1163.2176.5-78.2-13.7000113.9S35 L109 E121S35-N116 WeakPolarHBondContact CB-ND2 3.36Å; S35-N116 PolarHBondContact OG-N 2.75Å; L109-N116 PolarHBondContact N-O 2.8Å; N116-E121 HydrophobicContact CB-CG 4.02Å; N116-E121 VanDerWaalsContact CB-OE1 3.22Å; N116-E121 WeakPolarHBondContact CB-OE1 3.46Å; N116-E121 PolarHBondContact ND2-OE1 3.11Å
117L94.7Very high95.8Very high60 Ų6025.5 Ų25.531%0.31415%0.148SC..EExtended strand (participates in β ladder)trans-61.9137.1168.4-76.9169.7000110.2Y108 S119 A120 E121Y108-L117 HydrophobicContact CD1-CD2 3.94Å; Y108-L117 HydrophobicContact CD1-CG 4.33Å; Y108-L117 HydrophobicContact CD2-CD2 3.97Å; Y108-L117 HydrophobicContact CE1-CD2 3.58Å; Y108-L117 HydrophobicContact CE1-CG 3.91Å; Y108-L117 HydrophobicContact CE2-CD2 3.58Å; Y108-L117 HydrophobicContact CG-CD2 4.13Å; L117-S119 VanDerWaalsContact C-N 3.27Å; L117-S119 PolarHBondContact O-N 3.27Å; L117-A120 HydrophobicContact CB-CB 4.34Å; L117-A120 PolarHBondContact O-N 2.96Å; L117-E121 PolarHBondContact O-N 3.49Å
118L96Very high96Very high0 Ų025.9 Ų25.90%015%0.15CC..Hα-helixtrans-54.3-46.3176175.169.9000111.1F88 I90 F107 L109 A120 E121 L122 F156 V160F88-L118 HydrophobicContact CD2-CD1 3.97Å; F88-L118 HydrophobicContact CE2-CD1 3.9Å; I90-L118 HydrophobicContact CD1-CD1 3.9Å; I90-L118 HydrophobicContact CD1-CD2 3.99Å; F107-L118 HydrophobicContact CB-CB 4.09Å; F107-L118 HydrophobicContact CB-CD2 4.15Å; F107-L118 PolarHBondContact O-N 2.9Å; L109-L118 HydrophobicContact CD2-CD1 4.15Å; L109-L118 HydrophobicContact CG-CD1 4.42Å; L118-A120 VanDerWaalsContact C-N 3.32Å; L118-A120 PolarHBondContact O-N 2.89Å; L118-E121 PolarHBondContact O-N 3.12Å; L118-L122 HydrophobicContact CD1-CD1 4.03Å; L118-L122 HydrophobicContact CD1-CD2 4.12Å; L118-L122 HydrophobicContact CD1-CG 3.92Å; L118-L122 HydrophobicContact CD2-CD1 4.3Å; L118-L122 HydrophobicContact CG-CD1 3.88Å; L118-L122 HydrophobicContact CG-CG 4.06Å; L118-L122 WeakPolarHBondContact O-CG 3.46Å; L118-L122 PolarHBondContact O-N 3.26Å; L118-F156 HydrophobicContact CD2-CD2 3.95Å; L118-F156 HydrophobicContact CD2-CE2 3.6Å; L118-V160 HydrophobicContact CD2-CG2 4.09Å
119S94.9Very high96.2Very high30 Ų3023.3 Ų23.321%0.2114%0.14CC..Hα-helixtrans-60.1-39.1-176.946.70000113.2S105 L117 Q123 I163S105-S119 WeakPolarHBondContact OG-CB 3.5Å; S105-S119 PolarHBondContact OG-OG 3.1Å; L117-S119 VanDerWaalsContact C-N 3.27Å; L117-S119 PolarHBondContact O-N 3.27Å; S119-Q123 WeakPolarHBondContact O-CB 3.19Å; S119-Q123 PolarHBondContact O-N 2.8Å; S119-I163 WeakPolarHBondContact O-CD1 3.43Å
120A95.6Very high96.3Very high47 Ų4729.3 Ų29.339%0.38817%0.168SC..Hα-helixtrans-66.6-41.517800000111.9L117 L118 Q123 S124L117-A120 HydrophobicContact CB-CB 4.34Å; L117-A120 PolarHBondContact O-N 2.96Å; L118-A120 VanDerWaalsContact C-N 3.32Å; L118-A120 PolarHBondContact O-N 2.89Å; A120-Q123 PolarHBondContact O-N 2.64Å; A120-S124 PolarHBondContact O-N 2.82Å; A120-S124 PolarHBondContact O-OG 2.99Å
121E97.7Very high96.4Very high2 Ų232.5 Ų32.51%0.00919%0.194CC..Hα-helixtrans-66.3-45.4176.5-68.9-55.4152.800111.9Y34 L75 L109 N116 L117 L118 Q123 S124 I125Y34-E121 PolarHBondContact OH-OE1 2.86Å; Y34-E121 PolarHBondContact OH-OE2 2.99Å; L75-E121 HydrophobicContact CD1-CB 3.77Å; L75-E121 HydrophobicContact CD1-CG 4.06Å; L75-E121 WeakPolarHBondContact CD1-OE2 3.14Å; L75-E121 WeakPolarHBondContact CG-OE2 3.46Å; L109-E121 HydrophobicContact CD1-CB 3.97Å; L109-E121 HydrophobicContact CD1-CG 3.55Å; N116-E121 HydrophobicContact CB-CG 4.02Å; N116-E121 VanDerWaalsContact CB-OE1 3.22Å; N116-E121 WeakPolarHBondContact CB-OE1 3.46Å; N116-E121 PolarHBondContact ND2-OE1 3.11Å; L117-E121 PolarHBondContact O-N 3.49Å; L118-E121 PolarHBondContact O-N 3.12Å; E121-Q123 VanDerWaalsContact C-N 3.3Å; E121-Q123 PolarHBondContact O-N 3Å; E121-S124 WeakPolarHBondContact O-CB 3.38Å; E121-S124 PolarHBondContact O-N 3.29Å; E121-S124 VanDerWaalsContact O-N 3.15Å; E121-I125 WeakPolarHBondContact O-CG1 3.41Å; E121-I125 PolarHBondContact O-N 2.82Å
122L98.1Very high96.5Very high0 Ų032 Ų320%019%0.192CC..Hα-helixtrans-63.3-35.9177.3-63.8-172.9000112.3F88 L118 S124 I125 L126 V160 I163 L164 F190F88-L122 HydrophobicContact CE2-CD2 3.97Å; L118-L122 HydrophobicContact CD1-CD1 4.03Å; L118-L122 HydrophobicContact CD1-CD2 4.12Å; L118-L122 HydrophobicContact CD1-CG 3.92Å; L118-L122 HydrophobicContact CD2-CD1 4.3Å; L118-L122 HydrophobicContact CG-CD1 3.88Å; L118-L122 HydrophobicContact CG-CG 4.06Å; L118-L122 WeakPolarHBondContact O-CG 3.46Å; L118-L122 PolarHBondContact O-N 3.26Å; L122-S124 VanDerWaalsContact C-N 3.3Å; L122-S124 PolarHBondContact O-N 3.19Å; L122-I125 HydrophobicContact CD2-CD1 4.13Å; L122-I125 PolarHBondContact O-N 3.18Å; L122-L126 WeakPolarHBondContact O-CB 3.42Å; L122-L126 PolarHBondContact O-N 3.49Å; L122-V160 HydrophobicContact CD1-CB 4.29Å; L122-V160 HydrophobicContact CD1-CG1 4.27Å; L122-V160 HydrophobicContact CD1-CG2 3.9Å; L122-I163 HydrophobicContact CB-CD1 4.06Å; L122-I163 HydrophobicContact CB-CG2 4.03Å; L122-L164 HydrophobicContact CB-CD1 4.37Å; L122-L164 HydrophobicContact CB-CG 4.49Å; L122-L164 HydrophobicContact CD1-CD1 4.14Å; L122-L164 HydrophobicContact CD2-CD1 3.99Å; L122-L164 HydrophobicContact CG-CD1 4.37Å; L122-F190 HydrophobicContact CD1-CE2 4.41Å; L122-F190 HydrophobicContact CD2-CE2 4.26Å
123Q97.6Very high96.8Very high104 Ų10436.1 Ų36.149%0.48622%0.219SC..Hα-helixtrans-63.6-37.9175.3-173.364.159.800111.8S119 A120 E121 L126 G127S119-Q123 WeakPolarHBondContact O-CB 3.19Å; S119-Q123 PolarHBondContact O-N 2.8Å; A120-Q123 PolarHBondContact O-N 2.64Å; E121-Q123 VanDerWaalsContact C-N 3.3Å; E121-Q123 PolarHBondContact O-N 3Å; Q123-L126 PolarHBondContact O-N 3.46Å; Q123-G127 PolarHBondContact O-N 3.25Å
124S97.3Very high97Very high52 Ų5241.2 Ų41.236%0.36424%0.238SC..Hα-helixtrans-70.2-41.7177.8-55.70000111.2A120 E121 L122 L126 G127 F128A120-S124 PolarHBondContact O-N 2.82Å; A120-S124 PolarHBondContact O-OG 2.99Å; E121-S124 WeakPolarHBondContact O-CB 3.38Å; E121-S124 PolarHBondContact O-N 3.29Å; E121-S124 VanDerWaalsContact O-N 3.15Å; L122-S124 VanDerWaalsContact C-N 3.3Å; L122-S124 PolarHBondContact O-N 3.19Å; S124-L126 PolarHBondContact O-N 3.35Å; S124-G127 PolarHBondContact O-N 3.39Å; S124-F128 PolarHBondContact O-N 2.97Å
125I98.5Very high97.3Very high0 Ų039.6 Ų39.60%023%0.232CC..Hα-helixtrans-58.3-46172.4-71.2167.5000111.3L75 L79 F86 F88 E121 L122 G127 F128 L129 L137L75-I125 HydrophobicContact CB-CG1 4.37Å; L75-I125 HydrophobicContact CD1-CD1 3.83Å; L75-I125 HydrophobicContact CD1-CG1 4.35Å; L79-I125 HydrophobicContact CD1-CG1 4.23Å; L79-I125 HydrophobicContact CD1-CG2 4.4Å; F86-I125 HydrophobicContact CD2-CD1 3.93Å; F86-I125 HydrophobicContact CE2-CD1 3.88Å; F86-I125 HydrophobicContact CE2-CG1 4.07Å; F88-I125 HydrophobicContact CZ-CD1 4.08Å; E121-I125 WeakPolarHBondContact O-CG1 3.41Å; E121-I125 PolarHBondContact O-N 2.82Å; L122-I125 HydrophobicContact CD2-CD1 4.13Å; L122-I125 PolarHBondContact O-N 3.18Å; I125-G127 VanDerWaalsContact C-N 3.27Å; I125-G127 PolarHBondContact O-N 3.27Å; I125-F128 PolarHBondContact O-N 3.27Å; I125-L129 HydrophobicContact CG2-CD1 3.74Å; I125-L129 HydrophobicContact CG2-CG 4.3Å; I125-L129 WeakPolarHBondContact O-CG 3.44Å; I125-L129 PolarHBondContact O-N 3.33Å; I125-L137 HydrophobicContact CD1-CD2 4.32Å; I125-L137 HydrophobicContact CG1-CD2 4.5Å; I125-L137 HydrophobicContact CG2-CD2 3.41Å; I125-L137 VanDerWaalsContact CG2-CD2 3.41Å
126L98.6Very high97.4Very high14 Ų1439.2 Ų39.27%0.07323%0.229CC..Hα-helixtrans-56.3-44178.5176.963.1000111.3L122 Q123 S124 F128 L129 Q130 I163 L164 I167L122-L126 WeakPolarHBondContact O-CB 3.42Å; L122-L126 PolarHBondContact O-N 3.49Å; Q123-L126 PolarHBondContact O-N 3.46Å; S124-L126 PolarHBondContact O-N 3.35Å; L126-F128 PolarHBondContact O-N 3.48Å; L126-L129 PolarHBondContact O-N 2.9Å; L126-Q130 HydrophobicContact CD1-CG 4.07Å; L126-Q130 HydrophobicContact CG-CG 4.38Å; L126-Q130 WeakPolarHBondContact O-CB 3.45Å; L126-Q130 WeakPolarHBondContact O-CG 3.4Å; L126-Q130 PolarHBondContact O-N 3.37Å; L126-I163 HydrophobicContact CB-CG2 4.45Å; L126-I163 HydrophobicContact CD2-CG2 4.17Å; L126-I163 WeakPolarHBondContact CD2-O 3.39Å; L126-L164 HydrophobicContact CB-CD2 4Å; L126-L164 HydrophobicContact CD1-CD2 4.31Å; L126-I167 HydrophobicContact CD1-CD1 3.48Å; L126-I167 VanDerWaalsContact CD1-CD1 3.48Å; L126-I167 HydrophobicContact CD1-CG1 4.1Å
127G98.3Very high97.6Very high35 Ų3536.1 Ų36.136%0.36121%0.212SC..Hα-helixtrans-59.5-44.1177.800000113Q123 S124 I125 A131Q123-G127 PolarHBondContact O-N 3.25Å; S124-G127 PolarHBondContact O-N 3.39Å; I125-G127 VanDerWaalsContact C-N 3.27Å; I125-G127 PolarHBondContact O-N 3.27Å; G127-A131 PolarHBondContact O-N 3.24Å
128F98.3Very high97.8Very high8 Ų833.3 Ų33.34%0.03520%0.197CC..Hα-helixtrans-61.8-47174.8174.3-86.9000111.8R5 L79 E80 S124 I125 L126 Q130 A131 N132 E135R5-F128 HydrophobicContact CG-CE2 4.4Å; L79-F128 HydrophobicContact CB-CD1 3.66Å; L79-F128 HydrophobicContact CB-CD2 3.73Å; L79-F128 HydrophobicContact CB-CE1 3.69Å; L79-F128 HydrophobicContact CB-CE2 3.74Å; L79-F128 HydrophobicContact CB-CG 3.7Å; L79-F128 HydrophobicContact CB-CZ 3.73Å; L79-F128 HydrophobicContact CD1-CB 3.75Å; L79-F128 HydrophobicContact CD1-CD1 3.56Å; L79-F128 HydrophobicContact CD1-CD2 4.47Å; L79-F128 HydrophobicContact CD1-CE1 4.33Å; L79-F128 HydrophobicContact CD1-CG 3.65Å; L79-F128 HydrophobicContact CD2-CD1 4.38Å; L79-F128 HydrophobicContact CD2-CE1 4.42Å; L79-F128 HydrophobicContact CG-CD1 4.04Å; L79-F128 HydrophobicContact CG-CE1 4.34Å; L79-F128 HydrophobicContact CG-CG 4.26Å; E80-F128 HydrophobicContact CG-CD2 4.09Å; E80-F128 HydrophobicContact CG-CE2 3.96Å; E80-F128 WeakPolarHBondContact OE1-CD2 3.22Å; S124-F128 PolarHBondContact O-N 2.97Å; I125-F128 PolarHBondContact O-N 3.27Å; L126-F128 PolarHBondContact O-N 3.48Å; F128-Q130 PolarHBondContact O-N 2.91Å; F128-A131 PolarHBondContact O-N 2.69Å; F128-A131 VanDerWaalsContact O-N 3.17Å; F128-N132 HydrophobicContact CE1-CB 4.15Å; F128-N132 WeakPolarHBondContact CE2-ND2 3.33Å; F128-N132 HydrophobicContact CZ-CB 4.26Å; F128-N132 PolarHBondContact O-N 3.3Å; F128-N132 VanDerWaalsContact O-N 3.1Å; F128-N132 PolarHBondContact O-ND2 3.13Å; F128-E135 HydrophobicContact CE1-CB 4.4Å
129L98.5Very high97.9Very high0 Ų033.3 Ų33.30%020%0.197CC..Hα-helixtrans-67.3-36.9-175.8-69.9175.2000112.1I125 L126 A131 N132 L137 I167 Q187 V188I125-L129 HydrophobicContact CG2-CD1 3.74Å; I125-L129 HydrophobicContact CG2-CG 4.3Å; I125-L129 WeakPolarHBondContact O-CG 3.44Å; I125-L129 PolarHBondContact O-N 3.33Å; L126-L129 PolarHBondContact O-N 2.9Å; L129-A131 VanDerWaalsContact C-N 3.29Å; L129-A131 PolarHBondContact O-N 3.12Å; L129-N132 CarbonylContact O-C 3.57Å; L129-N132 PolarHBondContact O-N 3.47Å; L129-N132 VanDerWaalsContact O-N 3.1Å; L129-L137 HydrophobicContact CD1-CB 4.25Å; L129-L137 HydrophobicContact CD1-CD2 4.38Å; L129-L137 HydrophobicContact CD2-CB 4.28Å; L129-I167 HydrophobicContact CB-CD1 4.17Å; L129-I167 HydrophobicContact CD1-CD1 3.78Å; L129-Q187 HydrophobicContact CD1-CB 4.4Å; L129-Q187 HydrophobicContact CD2-CB 4.42Å; L129-Q187 PolarHBondContact O-NE2 3.01Å; L129-Q187 PolarHBondContact O-OE1 2.91Å; L129-V188 HydrophobicContact CD1-CG2 3.42Å; L129-V188 VanDerWaalsContact CD1-CG2 3.42Å
130Q97.8Very high98.1Very high126 Ų12632 Ų3259%0.58919%0.188SC*.Hα-helixtrans-62.3-35.7172.6-74.7178.1-29.200112.6L126 F128 N132L126-Q130 HydrophobicContact CD1-CG 4.07Å; L126-Q130 HydrophobicContact CG-CG 4.38Å; L126-Q130 WeakPolarHBondContact O-CB 3.45Å; L126-Q130 WeakPolarHBondContact O-CG 3.4Å; L126-Q130 PolarHBondContact O-N 3.37Å; F128-Q130 PolarHBondContact O-N 2.91Å; Q130-N132 VanDerWaalsContact C-N 3.29Å
131A97.5Very high98.2Very high66 Ų6629.7 Ų29.755%0.54517%0.169SC..Hα-helixtrans-75.9-16.9175.700000113.3G127 F128 L129G127-A131 PolarHBondContact O-N 3.24Å; F128-A131 PolarHBondContact O-N 2.69Å; F128-A131 VanDerWaalsContact O-N 3.17Å; L129-A131 VanDerWaalsContact C-N 3.29Å; L129-A131 PolarHBondContact O-N 3.12Å
132N98Very high98Very high18 Ų1832 Ų3210%0.09618%0.181CC..SBendtrans-13370.3-175.5-59.5-84.6000110.4F128 L129 Q130 R134 E135 Q187F128-N132 HydrophobicContact CE1-CB 4.15Å; F128-N132 WeakPolarHBondContact CE2-ND2 3.33Å; F128-N132 HydrophobicContact CZ-CB 4.26Å; F128-N132 PolarHBondContact O-N 3.3Å; F128-N132 VanDerWaalsContact O-N 3.1Å; F128-N132 PolarHBondContact O-ND2 3.13Å; L129-N132 CarbonylContact O-C 3.57Å; L129-N132 PolarHBondContact O-N 3.47Å; L129-N132 VanDerWaalsContact O-N 3.1Å; Q130-N132 VanDerWaalsContact C-N 3.29Å; N132-R134 PolarHBondContact O-N 2.98Å; N132-E135 HydrophobicContact CB-CB 4.15Å; N132-E135 HydrophobicContact CB-CG 3.81Å; N132-E135 PolarHBondContact O-N 3.24Å; N132-Q187 PolarHBondContact O-NE2 2.84Å
133P97.3Very high97.8Very high88 Ų8834.7 Ų34.757%0.57119%0.194SC*.THydrogen-bonded Turntrans-64.5-16.5-164.524.3-35.6000115.4Q187P133-Q187 PolarHBondContact O-NE2 3.46Å
134R98.2Very high97.6Very high107 Ų10731.1 Ų31.140%0.40418%0.18SC..THydrogen-bonded Turntrans-103.25.3178-72.6-175.470.4-149.7-3.7113.6S9 N132 W182S9-R134 PolarHBondContact O-NH1 2.98Å; S9-R134 PolarHBondContact O-NH2 2.85Å; S9-R134 WeakPolarHBondContact OG-CB 2.83Å; N132-R134 PolarHBondContact O-N 2.98Å; R134-W182 HydrophobicContact CB-CZ2 4.41Å; R134-W182 HydrophobicContact CG-CD2 4.4Å; R134-W182 HydrophobicContact CG-CG 4.29Å; R134-W182 WeakPolarHBondContact O-CZ2 3.28Å; R134-W182 PolarHBondContact O-NE1 3.47Å
135E98.6Very high97.4Very high0 Ų031.3 Ų31.30%017%0.173CC..  trans-89.7139.3169.6-61.4-58.9112.500110.6S6 M8 S9 R84 F128 N132 Q187S6-E135 WeakPolarHBondContact CA-OE1 3.36Å; M8-E135 PolarHBondContact N-OE1 2.71Å; M8-E135 PolarHBondContact N-OE2 2.81Å; S9-E135 WeakPolarHBondContact CB-OE1 3.37Å; S9-E135 PolarHBondContact N-OE1 3.35Å; S9-E135 PolarHBondContact OG-OE1 3.47Å; R84-E135 IonicContact CZ-OE2 2.68Å; R84-E135 IonicContact NE-OE2 3.4Å; R84-E135 PolarHBondContact NE-OE2 3.22Å; R84-E135 IonicContact NH2-OE2 3.38Å; R84-E135 PolarHBondContact NH2-OE2 3.08Å; F128-E135 HydrophobicContact CE1-CB 4.4Å; N132-E135 HydrophobicContact CB-CB 4.15Å; N132-E135 HydrophobicContact CB-CG 3.81Å; N132-E135 PolarHBondContact O-N 3.24Å; E135-Q187 PolarHBondContact O-NE2 3.42Å
136V98.8Very high97Very high1 Ų136.2 Ų36.21%0.00619%0.193CC..  trans-117.8131.7-177.3168.40000110.1M8 L20 R84 L178 L181 Q187M8-V136 HydrophobicContact SD-CB 3.78Å; M8-V136 PolarHBondContact SD-N 3.09Å; L20-V136 HydrophobicContact CD1-CG1 4.23Å; R84-V136 WeakPolarHBondContact CD-O 3.41Å; V136-L178 HydrophobicContact CB-CD2 4.01Å; V136-L178 HydrophobicContact CG2-CD2 3.74Å; V136-L181 HydrophobicContact CB-CD2 4.38Å; V136-L181 HydrophobicContact CG1-CD2 3.59Å; V136-L181 HydrophobicContact CG2-CB 4.13Å; V136-L181 HydrophobicContact CG2-CD2 3.84Å; V136-Q187 CarbonylContact C-O 3.6Å; V136-Q187 VanDerWaalsContact CA-O 3.26Å; V136-Q187 WeakPolarHBondContact CA-O 3.47Å
137L98.9Very high96.6Very high0 Ų036.5 Ų36.50%019%0.193CC..EExtended strand (participates in β ladder)trans-113.6132.9178.6177.962.8000110.9L79 F86 I125 L129 V139 Q187 V188 I189L79-L137 HydrophobicContact CD2-CD1 3.91Å; L79-L137 HydrophobicContact CD2-CD2 4.25Å; F86-L137 HydrophobicContact CD2-CD1 3.83Å; F86-L137 HydrophobicContact CD2-CD2 3.9Å; F86-L137 HydrophobicContact CD2-CG 4.41Å; F86-L137 HydrophobicContact CE2-CD1 4.1Å; F86-L137 HydrophobicContact CE2-CD2 4.02Å; F86-L137 HydrophobicContact CG-CD1 4.17Å; I125-L137 HydrophobicContact CD1-CD2 4.32Å; I125-L137 HydrophobicContact CG1-CD2 4.5Å; I125-L137 HydrophobicContact CG2-CD2 3.41Å; I125-L137 VanDerWaalsContact CG2-CD2 3.41Å; L129-L137 HydrophobicContact CD1-CB 4.25Å; L129-L137 HydrophobicContact CD1-CD2 4.38Å; L129-L137 HydrophobicContact CD2-CB 4.28Å; L137-V139 HydrophobicContact CD2-CG2 3.71Å; L137-V139 HydrophobicContact CG-CG2 3.86Å; L137-Q187 PolarHBondContact N-O 3.12Å; L137-V188 WeakPolarHBondContact O-CA 3.4Å; L137-I189 PolarHBondContact O-N 2.97Å
138I98.9Very high96.1Very high1 Ų140.4 Ų40.41%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-98.1119.2165.3-55.4172.2000107.8I25 R84 Y85 F86 I189 I191 F243 I294I25-I138 HydrophobicContact CD1-CD1 3.95Å; R84-I138 PolarHBondContact O-N 3.5Å; Y85-I138 CarbonylContact C-O 3.56Å; Y85-I138 VanDerWaalsContact CA-O 3.29Å; Y85-I138 WeakPolarHBondContact CA-O 3.47Å; Y85-I138 HydrophobicContact CD2-CB 3.89Å; Y85-I138 HydrophobicContact CD2-CG2 3.68Å; Y85-I138 HydrophobicContact CE2-CG2 4.09Å; F86-I138 PolarHBondContact N-O 3.13Å; I138-I189 WeakPolarHBondContact CA-O 3.23Å; I138-I189 HydrophobicContact CG1-CB 4.37Å; I138-I191 HydrophobicContact CG2-CD1 3.87Å; I138-I191 HydrophobicContact CG2-CG1 4.32Å; I138-F243 HydrophobicContact CD1-CD1 4.13Å; I138-F243 HydrophobicContact CD1-CE1 3.71Å; I138-F243 HydrophobicContact CD1-CZ 3.98Å; I138-I294 HydrophobicContact CD1-CD1 3.96Å; I138-I294 HydrophobicContact CD1-CG1 4.49Å
139V98.8Very high95.7Very high0 Ų042.6 Ų42.60%022%0.216CC..EExtended strand (participates in β ladder)trans-105.1121.8170.8-179.10000107.5F88 L137 V188 I189 F190 I191F88-V139 HydrophobicContact CD2-CG1 3.69Å; F88-V139 HydrophobicContact CE2-CG1 3.86Å; F88-V139 HydrophobicContact CG-CG1 4.15Å; F88-V139 HydrophobicContact CZ-CG1 4.43Å; L137-V139 HydrophobicContact CD2-CG2 3.71Å; L137-V139 HydrophobicContact CG-CG2 3.86Å; V139-V188 HydrophobicContact CG2-CG1 4.35Å; V139-I189 PolarHBondContact N-O 3.49Å; V139-F190 HydrophobicContact CB-CD2 3.94Å; V139-F190 HydrophobicContact CB-CE2 4.07Å; V139-F190 HydrophobicContact CB-CG 4.38Å; V139-F190 HydrophobicContact CG1-CD2 4.12Å; V139-F190 HydrophobicContact CG1-CE1 4.49Å; V139-F190 HydrophobicContact CG1-CE2 3.72Å; V139-F190 HydrophobicContact CG1-CZ 3.94Å; V139-F190 HydrophobicContact CG2-CD2 4.45Å; V139-I191 PolarHBondContact O-N 2.97Å
140D98.6Very high95.3Very high2 Ų245.8 Ų45.81%0.01123%0.233CC..EExtended strand (participates in β ladder)trans-115.1104.4179.4-178.49.7000110.2Y85 F86 F88 N142Y85-D140 HydrophobicContact CE2-CB 3.5Å; Y85-D140 VanDerWaalsContact CE2-CB 3.5Å; Y85-D140 WeakPolarHBondContact OH-CB 3.19Å; Y85-D140 PolarHBondContact OH-OD2 3.03Å; F86-D140 PolarHBondContact O-N 3.36Å; F88-D140 PolarHBondContact N-O 2.88Å; D140-N142 PolarHBondContact O-N 3.38Å; D140-N142 PolarHBondContact OD1-N 3.25Å
141C97.5Very high94.8Very high0 Ų046.1 Ų46.10%024%0.235CC..EExtended strand (participates in β ladder)trans-81.977.3169.8-61.60000109F88 I90 H143 F190 I191 C193F88-C141 CarbonylContact O-C 3.41Å; F88-C141 WeakPolarHBondContact O-CA 3.48Å; I90-C141 HydrophobicContact CD1-CB 4.06Å; I90-C141 WeakPolarHBondContact CD1-SG 3.45Å; C141-H143 VanDerWaalsContact C-N 3.25Å; C141-H143 PolarHBondContact O-N 3.35Å; C141-F190 HydrophobicContact CB-CE1 4.41Å; C141-F190 WeakPolarHBondContact SG-CE1 3.22Å; C141-F190 WeakPolarHBondContact SG-CZ 3.22Å; C141-I191 PolarHBondContact N-O 2.92Å; C141-C193 PolarHBondContact O-N 3.39Å; C141-C193 VanDerWaalsContact O-N 3.16Å; C141-C193 PolarHBondContact O-SG 2.96Å
142N93.3Very high94.4Very high49 Ų4943.2 Ų43.226%0.26221%0.21SC..EExtended strand (participates in β ladder)trans-74-18-173.7-170.421.9000112.5F88 D140 C193F88-N142 PolarHBondContact O-N 2.97Å; F88-N142 VanDerWaalsContact O-N 3.07Å; D140-N142 PolarHBondContact O-N 3.38Å; D140-N142 PolarHBondContact OD1-N 3.25Å; N142-C193 PolarHBondContact O-SG 3.4Å
143H94.6Very high94.2Very high58 Ų5843.8 Ų43.827%0.26921%0.212SC..EExtended strand (participates in β ladder)trans-136.3134.2173.3-59.572.5000112.4R89 I90 C141 Y145R89-H143 WeakPolarHBondContact CA-O 3.33Å; R89-H143 HydrophobicContact CB-CB 4.19Å; R89-H143 HydrophobicContact CG-CB 3.95Å; I90-H143 PolarHBondContact N-O 2.73Å; C141-H143 VanDerWaalsContact C-N 3.25Å; C141-H143 PolarHBondContact O-N 3.35Å; H143-Y145 HydrophobicContact CB-CD2 4.41Å; H143-Y145 HydrophobicContact CB-CE2 3.59Å; H143-Y145 PolarHBondContact CD2-OH 3.21Å
144C94.1Very high93.9Very high29 Ų2943.2 Ų43.220%0.19620%0.204CC..EExtended strand (participates in β ladder)trans-126.6115.8174.7-65.80000110.4I90 F147 H194I90-C144 CarbonylContact O-C 3.6Å; I90-C144 WeakPolarHBondContact O-CA 3.32Å; C144-F147 HydrophobicContact CB-CB 4.39Å; C144-F147 HydrophobicContact CB-CD1 4.23Å; C144-F147 HydrophobicContact CB-CD2 3.66Å; C144-F147 HydrophobicContact CB-CE1 4.41Å; C144-F147 HydrophobicContact CB-CE2 3.89Å; C144-F147 HydrophobicContact CB-CG 3.86Å; C144-F147 HydrophobicContact CB-CZ 4.26Å; C144-H194 HydrophobicContact CB-CB 4.5Å
145Y92.4Very high93.6Very high55 Ų5539 Ų3922%0.21619%0.19CC..EExtended strand (participates in β ladder)trans-106.1134.7-178.2-58.9-83.6000111.2D45 R89 I90 C91 A92 V110 H143 F147D45-Y145 HydrophobicContact CB-CD1 4.02Å; D45-Y145 HydrophobicContact CB-CD2 3.81Å; D45-Y145 HydrophobicContact CB-CE1 3.63Å; D45-Y145 HydrophobicContact CB-CE2 3.4Å; D45-Y145 VanDerWaalsContact CB-CE2 3.4Å; D45-Y145 HydrophobicContact CB-CG 4.1Å; R89-Y145 HydrophobicContact CB-CE2 4.34Å; I90-Y145 PolarHBondContact O-N 3.29Å; C91-Y145 WeakPolarHBondContact CA-O 3.22Å; A92-Y145 PolarHBondContact N-O 2.81Å; V110-Y145 HydrophobicContact CG2-CD2 3.89Å; V110-Y145 HydrophobicContact CG2-CE2 4.2Å; H143-Y145 HydrophobicContact CB-CD2 4.41Å; H143-Y145 HydrophobicContact CB-CE2 3.59Å; H143-Y145 PolarHBondContact CD2-OH 3.21Å; Y145-F147 VanDerWaalsContact C-N 3.34Å; Y145-F147 WeakPolarHBondContact O-CD2 3.32Å
146Y90.1Very high93.3Very high103 Ų10339 Ų3940%0.40419%0.19SC..SBendtrans61.434.3-175.9-56.4-46.7000114.8P44 A92 E148 Q152P44-Y146 HydrophobicContact CB-CD2 4.27Å; P44-Y146 HydrophobicContact CB-CE2 3.28Å; P44-Y146 VanDerWaalsContact CB-CZ 3.43Å; P44-Y146 WeakPolarHBondContact CB-OH 3.31Å; P44-Y146 HydrophobicContact CG-CD2 3.85Å; P44-Y146 HydrophobicContact CG-CE2 3.28Å; A92-Y146 WeakPolarHBondContact CB-O 3.49Å; A92-Y146 WeakPolarHBondContact O-CB 3.39Å; Y146-E148 PolarHBondContact O-N 3.05Å; Y146-Q152 PolarHBondContact O-OE1 3.32Å
147F91.2Very high93.2Very high21 Ų2139.6 Ų39.69%0.09219%0.193CC..  trans-91.155.3169.5-77.1-121.7000110I90 A92 F107 C144 Y145 Q152 K153 F156 H194I90-F147 HydrophobicContact CB-CE2 4.47Å; I90-F147 HydrophobicContact CB-CZ 4.45Å; I90-F147 HydrophobicContact CG2-CE2 4.05Å; I90-F147 HydrophobicContact CG2-CZ 3.9Å; A92-F147 HydrophobicContact CB-CD2 4.04Å; A92-F147 HydrophobicContact CB-CE2 3.98Å; F107-F147 HydrophobicContact CD1-CE2 4.13Å; F107-F147 AromaticContact CD1-CZ 3.7Å; F107-F147 HydrophobicContact CD1-CZ 3.7Å; F107-F147 HydrophobicContact CE1-CE1 4.04Å; F107-F147 HydrophobicContact CE1-CE2 4.14Å; F107-F147 AromaticContact CE1-CZ 3.63Å; F107-F147 HydrophobicContact CE1-CZ 3.63Å; C144-F147 HydrophobicContact CB-CB 4.39Å; C144-F147 HydrophobicContact CB-CD1 4.23Å; C144-F147 HydrophobicContact CB-CD2 3.66Å; C144-F147 HydrophobicContact CB-CE1 4.41Å; C144-F147 HydrophobicContact CB-CE2 3.89Å; C144-F147 HydrophobicContact CB-CG 3.86Å; C144-F147 HydrophobicContact CB-CZ 4.26Å; Y145-F147 VanDerWaalsContact C-N 3.34Å; Y145-F147 WeakPolarHBondContact O-CD2 3.32Å; F147-Q152 VanDerWaalsContact C-OE1 3.3Å; F147-K153 HydrophobicContact CB-CG 4.34Å; F147-K153 HydrophobicContact CD1-CG 4.06Å; F147-K153 WeakPolarHBondContact O-CE 3.34Å; F147-K153 PolarHBondContact O-NZ 3.33Å; F147-F156 HydrophobicContact CE1-CB 3.57Å; F147-F156 AromaticContact CE1-CD1 3.86Å; F147-F156 HydrophobicContact CE1-CD1 3.86Å; F147-F156 HydrophobicContact CE1-CD2 4.04Å; F147-F156 AromaticContact CE1-CG 3.54Å; F147-F156 HydrophobicContact CE1-CG 3.54Å; F147-F156 HydrophobicContact CZ-CB 4.14Å; F147-F156 AromaticContact CZ-CD2 3.98Å; F147-F156 HydrophobicContact CZ-CD2 3.98Å; F147-F156 AromaticContact CZ-CG 3.97Å; F147-F156 HydrophobicContact CZ-CG 3.97Å; F147-H194 HydrophobicContact CD1-CB 3.8Å; F147-H194 HydrophobicContact CE1-CB 3.87Å
148E88Confident92.9Very high117 Ų11743 Ų4355%0.54722%0.217SC..  trans-71.4-37.6-174.4-60.8173.7160.300113Q94 Y146Q94-E148 PolarHBondContact NE2-OE2 3.49Å; Y146-E148 PolarHBondContact O-N 3.05Å
149T89.4Confident92.7Very high53 Ų5343.7 Ų43.733%0.32522%0.221SC..SBendtrans-110.9161.8-173.885.70000112.8E151 Q152 K153T149-E151 VanDerWaalsContact C-N 3.33Å; T149-E151 WeakPolarHBondContact CB-OE2 3.17Å; T149-E151 PolarHBondContact OG1-N 3.23Å; T149-E151 PolarHBondContact OG1-OE2 2.91Å; T149-Q152 WeakPolarHBondContact OG1-CG 3.33Å; T149-Q152 PolarHBondContact OG1-N 2.63Å; T149-K153 WeakPolarHBondContact O-CG 3.49Å; T149-K153 PolarHBondContact O-N 3.46Å; T149-K153 PolarHBondContact O-NZ 3.19Å
150D90Very high92.6Very high68 Ų6843.7 Ų43.736%0.36422%0.221SC..Hα-helixtrans-70.5-32.3175.3-85.8-26.1000110.9Q152 K153 D154 R195 K200D150-Q152 VanDerWaalsContact C-N 3.31Å; D150-Q152 PolarHBondContact O-N 3.37Å; D150-K153 CarbonylContact O-C 3.56Å; D150-K153 WeakPolarHBondContact O-CB 3.22Å; D150-K153 PolarHBondContact O-N 3.18Å; D150-K153 VanDerWaalsContact O-N 3.08Å; D150-D154 VanDerWaalsContact O-CG 3.22Å; D150-D154 PolarHBondContact O-N 3.27Å; D150-R195 IonicContact OD1-NH1 3.49Å; D150-R195 PolarHBondContact OD1-NH1 2.85Å; D150-K200 IonicContact OD2-NZ 3.5Å; D150-K200 PolarHBondContact OD2-NZ 3.23Å
151E87.7Confident92.5Very high132 Ų13245 Ų4562%0.61723%0.228SC*.Hα-helixtrans-64.7-35.4177-55.177.2-169.500112.3T149 C155T149-E151 VanDerWaalsContact C-N 3.33Å; T149-E151 WeakPolarHBondContact CB-OE2 3.17Å; T149-E151 PolarHBondContact OG1-N 3.23Å; T149-E151 PolarHBondContact OG1-OE2 2.91Å; E151-C155 VanDerWaalsContact O-CB 3.3Å; E151-C155 WeakPolarHBondContact O-CB 3.19Å; E151-C155 PolarHBondContact O-N 2.74Å
152Q88.7Confident92.4Very high6 Ų653 Ų533%0.02826%0.263CS..Hα-helixtrans-63.2-44.3172.8-74.8168.3-11.900111.1L97 F107 Y146 F147 T149 D150 C155 F156L97-Q152 HydrophobicContact CD1-CG 3.31Å; L97-Q152 HydrophobicContact CD2-CB 4.22Å; L97-Q152 HydrophobicContact CD2-CG 3.52Å; L97-Q152 HydrophobicContact CG-CG 3.99Å; F107-Q152 WeakPolarHBondContact CZ-O 3.44Å; Y146-Q152 PolarHBondContact O-OE1 3.32Å; F147-Q152 VanDerWaalsContact C-OE1 3.3Å; T149-Q152 WeakPolarHBondContact OG1-CG 3.33Å; T149-Q152 PolarHBondContact OG1-N 2.63Å; D150-Q152 VanDerWaalsContact C-N 3.31Å; D150-Q152 PolarHBondContact O-N 3.37Å; Q152-C155 PolarHBondContact O-N 3.16Å; Q152-F156 PolarHBondContact O-N 3.38Å
153K92.4Very high92.7Very high29 Ų2951.7 Ų51.713%0.12626%0.256CS..Hα-helixtrans-67.2-43.5179.8-62.6173.5-171.888.30110.8F147 T149 D150 C155 F156 E157 H194 R195F147-K153 HydrophobicContact CB-CG 4.34Å; F147-K153 HydrophobicContact CD1-CG 4.06Å; F147-K153 WeakPolarHBondContact O-CE 3.34Å; F147-K153 PolarHBondContact O-NZ 3.33Å; T149-K153 WeakPolarHBondContact O-CG 3.49Å; T149-K153 PolarHBondContact O-N 3.46Å; T149-K153 PolarHBondContact O-NZ 3.19Å; D150-K153 CarbonylContact O-C 3.56Å; D150-K153 WeakPolarHBondContact O-CB 3.22Å; D150-K153 PolarHBondContact O-N 3.18Å; D150-K153 VanDerWaalsContact O-N 3.08Å; K153-C155 PolarHBondContact O-N 2.78Å; K153-F156 WeakPolarHBondContact O-CB 3.3Å; K153-F156 PolarHBondContact O-N 3.37Å; K153-E157 WeakPolarHBondContact O-CG 3.27Å; K153-E157 PolarHBondContact O-N 3.24Å; K153-H194 VanDerWaalsContact CD-O 3.23Å; K153-H194 WeakPolarHBondContact CD-O 3.4Å; K153-H194 VanDerWaalsContact CE-O 3.22Å; K153-H194 WeakPolarHBondContact CE-O 3.39Å; K153-R195 HydrophobicContact CB-CG 4.39Å; K153-R195 VanDerWaalsContact CB-CZ 3.44Å; K153-R195 VanDerWaalsContact CB-NH2 3.35Å; K153-R195 HydrophobicContact CD-CG 3.68Å; K153-R195 HydrophobicContact CG-CG 4.43Å
154D91.7Very high92.8Very high77 Ų7749 Ų4941%0.41224%0.243SC..Hα-helixtrans-61.8-41.8174.7-65.5-20000111.8D150 F156 E157 S158 R195D150-D154 VanDerWaalsContact O-CG 3.22Å; D150-D154 PolarHBondContact O-N 3.27Å; D154-F156 VanDerWaalsContact C-N 3.34Å; D154-E157 PolarHBondContact O-N 2.81Å; D154-S158 VanDerWaalsContact O-CB 3.29Å; D154-S158 WeakPolarHBondContact O-CB 3.28Å; D154-S158 PolarHBondContact O-N 2.87Å; D154-S158 PolarHBondContact O-OG 3.35Å; D154-R195 IonicContact OD1-CZ 2.69Å; D154-R195 IonicContact OD1-NH2 2.63Å; D154-R195 PolarHBondContact OD1-NH2 3.4Å
155C91.6Very high93Very high17 Ų1751 Ų5112%0.11525%0.252CS..Hα-helixtrans-67.3-36.4177.1179.40000112C100 F107 E151 Q152 K153 T159C100-C155 HydrophobicContact CB-CB 3.92Å; C100-C155 WeakPolarHBondContact CB-SG 3.27Å; C100-C155 WeakPolarHBondContact SG-CB 3.37Å; C100-C155 CovalentContact SG-SG 2.03Å; C100-C155 PolarHBondContact SG-SG 2.79Å; F107-C155 HydrophobicContact CE2-CB 4.24Å; F107-C155 HydrophobicContact CZ-CB 4.25Å; E151-C155 VanDerWaalsContact O-CB 3.3Å; E151-C155 WeakPolarHBondContact O-CB 3.19Å; E151-C155 PolarHBondContact O-N 2.74Å; Q152-C155 PolarHBondContact O-N 3.16Å; K153-C155 PolarHBondContact O-N 2.78Å; C155-T159 WeakPolarHBondContact O-CB 3.33Å; C155-T159 PolarHBondContact O-N 2.89Å; C155-T159 PolarHBondContact O-OG1 2.9Å
156F93.8Very high93.3Very high0 Ų051.8 Ų51.80%027%0.265CS..Hα-helixtrans-61.7-52.2173.1165.8-107.2000111I90 F107 L118 F147 Q152 K153 D154 S158 T159 V160 F190 H194 F205I90-F156 HydrophobicContact CD1-CE2 3.55Å; I90-F156 HydrophobicContact CD1-CZ 4.03Å; F107-F156 HydrophobicContact CD1-CB 4.35Å; F107-F156 HydrophobicContact CD1-CD2 4.3Å; F107-F156 HydrophobicContact CD2-CB 4.49Å; F107-F156 HydrophobicContact CE1-CB 3.72Å; F107-F156 HydrophobicContact CE1-CD2 4.49Å; F107-F156 VanDerWaalsContact CE2-CA 3.41Å; F107-F156 HydrophobicContact CE2-CB 3.92Å; F107-F156 HydrophobicContact CG-CD2 4.36Å; F107-F156 VanDerWaalsContact CZ-CA 3.49Å; F107-F156 HydrophobicContact CZ-CB 3.51Å; L118-F156 HydrophobicContact CD2-CD2 3.95Å; L118-F156 HydrophobicContact CD2-CE2 3.6Å; F147-F156 HydrophobicContact CE1-CB 3.57Å; F147-F156 AromaticContact CE1-CD1 3.86Å; F147-F156 HydrophobicContact CE1-CD1 3.86Å; F147-F156 HydrophobicContact CE1-CD2 4.04Å; F147-F156 AromaticContact CE1-CG 3.54Å; F147-F156 HydrophobicContact CE1-CG 3.54Å; F147-F156 HydrophobicContact CZ-CB 4.14Å; F147-F156 AromaticContact CZ-CD2 3.98Å; F147-F156 HydrophobicContact CZ-CD2 3.98Å; F147-F156 AromaticContact CZ-CG 3.97Å; F147-F156 HydrophobicContact CZ-CG 3.97Å; Q152-F156 PolarHBondContact O-N 3.38Å; K153-F156 WeakPolarHBondContact O-CB 3.3Å; K153-F156 PolarHBondContact O-N 3.37Å; D154-F156 VanDerWaalsContact C-N 3.34Å; F156-S158 VanDerWaalsContact C-N 3.31Å; F156-S158 PolarHBondContact O-N 2.74Å; F156-T159 WeakPolarHBondContact O-CB 3.21Å; F156-T159 PolarHBondContact O-N 3.14Å; F156-T159 VanDerWaalsContact O-N 3.1Å; F156-V160 HydrophobicContact CD2-CG2 4.22Å; F156-V160 HydrophobicContact CE2-CG2 3.73Å; F156-V160 HydrophobicContact CZ-CG2 3.94Å; F156-V160 PolarHBondContact O-N 3.15Å; F156-F190 AromaticContact CZ-CE1 3.94Å; F156-F190 HydrophobicContact CZ-CE1 3.94Å; F156-F190 HydrophobicContact CZ-CZ 4.22Å; F156-H194 HydrophobicContact CD1-CB 4.06Å; F156-H194 AromaticContact CD1-CD2 3.92Å; F156-H194 AromaticContact CD1-CG 3.86Å; F156-H194 HydrophobicContact CE1-CB 4.07Å; F156-H194 AromaticContact CE1-CG 3.8Å; F156-H194 AromaticContact CE1-ND1 3.93Å; F156-F205 HydrophobicContact CE1-CE1 4.14Å
157E95.3Very high93.7Very high15 Ų1547.5 Ų47.57%0.0725%0.249CC..Hα-helixtrans-56-48.2177.3-70.6174177.600110.5K153 D154 T159 V160 L161 H194 R195 H202 F205K153-E157 WeakPolarHBondContact O-CG 3.27Å; K153-E157 PolarHBondContact O-N 3.24Å; D154-E157 PolarHBondContact O-N 2.81Å; E157-T159 VanDerWaalsContact C-N 3.31Å; E157-T159 PolarHBondContact O-N 2.91Å; E157-V160 PolarHBondContact O-N 3.4Å; E157-L161 WeakPolarHBondContact O-CB 3.29Å; E157-L161 VanDerWaalsContact O-CG 3.22Å; E157-L161 WeakPolarHBondContact O-CG 3.35Å; E157-L161 PolarHBondContact O-N 2.83Å; E157-H194 IonicContact OE1-CD2 3.15Å; E157-H194 IonicContact OE1-NE2 2.8Å; E157-H194 PolarHBondContact OE1-NE2 3.11Å; E157-R195 IonicContact OE1-CZ 3.18Å; E157-R195 IonicContact OE1-NE 3.17Å; E157-R195 PolarHBondContact OE1-NE 2.84Å; E157-R195 IonicContact OE1-NH2 2.8Å; E157-R195 IonicContact OE2-NH2 3.17Å; E157-H202 HydrophobicContact CG-CB 4.4Å; E157-H202 PolarHBondContact OE1-N 2.8Å; E157-H202 WeakPolarHBondContact OE2-CB 3.46Å; E157-F205 HydrophobicContact CB-CE2 3.91Å; E157-F205 HydrophobicContact CB-CZ 4.1Å; E157-F205 HydrophobicContact CG-CD2 4.3Å; E157-F205 HydrophobicContact CG-CE2 3.89Å; E157-F205 HydrophobicContact CG-CZ 4.15Å
158S93.6Very high94Very high72 Ų7246.5 Ų46.550%0.50325%0.245SC..Hα-helixtrans-59.6-38.7177.3-61.30000112.8D154 F156 K162D154-S158 VanDerWaalsContact O-CB 3.29Å; D154-S158 WeakPolarHBondContact O-CB 3.28Å; D154-S158 PolarHBondContact O-N 2.87Å; D154-S158 PolarHBondContact O-OG 3.35Å; F156-S158 VanDerWaalsContact C-N 3.31Å; F156-S158 PolarHBondContact O-N 2.74Å; S158-K162 WeakPolarHBondContact O-CB 3.45Å; S158-K162 PolarHBondContact O-N 3.32Å
159T93.7Very high94.5Very high15 Ų1541.6 Ų41.69%0.09222%0.222CC..Hα-helixtrans-63.5-46177.8-64.10000111.3S105 F107 C155 F156 E157S105-T159 WeakPolarHBondContact CB-OG1 3.39Å; S105-T159 VanDerWaalsContact OG-CG2 3.26Å; S105-T159 WeakPolarHBondContact OG-CG2 3.45Å; F107-T159 HydrophobicContact CD2-CG2 4.5Å; C155-T159 WeakPolarHBondContact O-CB 3.33Å; C155-T159 PolarHBondContact O-N 2.89Å; C155-T159 PolarHBondContact O-OG1 2.9Å; F156-T159 WeakPolarHBondContact O-CB 3.21Å; F156-T159 PolarHBondContact O-N 3.14Å; F156-T159 VanDerWaalsContact O-N 3.1Å; E157-T159 VanDerWaalsContact C-N 3.31Å; E157-T159 PolarHBondContact O-N 2.91Å
160V96.7Very high95Very high0 Ų041.1 Ų41.10%022%0.219CC..Hα-helixtrans-69-47.8179.7172.50000110.2L118 L122 F156 E157 K162 I163 L164 M168 F190 F205L118-V160 HydrophobicContact CD2-CG2 4.09Å; L122-V160 HydrophobicContact CD1-CB 4.29Å; L122-V160 HydrophobicContact CD1-CG1 4.27Å; L122-V160 HydrophobicContact CD1-CG2 3.9Å; F156-V160 HydrophobicContact CD2-CG2 4.22Å; F156-V160 HydrophobicContact CE2-CG2 3.73Å; F156-V160 HydrophobicContact CZ-CG2 3.94Å; F156-V160 PolarHBondContact O-N 3.15Å; E157-V160 PolarHBondContact O-N 3.4Å; V160-K162 VanDerWaalsContact C-N 3.33Å; V160-K162 PolarHBondContact O-N 2.97Å; V160-I163 PolarHBondContact O-N 2.89Å; V160-L164 HydrophobicContact CG1-CD1 4.4Å; V160-L164 PolarHBondContact O-N 3.33Å; V160-M168 HydrophobicContact CG1-CE 4.2Å; V160-M168 HydrophobicContact CG1-SD 3.87Å; V160-F190 HydrophobicContact CG1-CD2 3.79Å; V160-F190 HydrophobicContact CG1-CE2 3.6Å; V160-F190 HydrophobicContact CG1-CG 4.34Å; V160-F190 HydrophobicContact CG1-CZ 4Å; V160-F190 HydrophobicContact CG2-CE2 4.22Å; V160-F190 HydrophobicContact CG2-CZ 3.9Å; V160-F205 HydrophobicContact CB-CE1 4.01Å; V160-F205 HydrophobicContact CB-CZ 3.75Å; V160-F205 HydrophobicContact CG1-CE1 3.77Å; V160-F205 HydrophobicContact CG1-CZ 3.75Å; V160-F205 HydrophobicContact CG2-CE1 4.25Å; V160-F205 HydrophobicContact CG2-CZ 4.38Å
161L97.1Very high95.3Very high29 Ų2942.3 Ų42.315%0.15222%0.219CC..Hα-helixtrans-61.2-40.6-179.3-70.6170.3000112E157 I163 L164 D165 M168 K204 F205E157-L161 WeakPolarHBondContact O-CB 3.29Å; E157-L161 VanDerWaalsContact O-CG 3.22Å; E157-L161 WeakPolarHBondContact O-CG 3.35Å; E157-L161 PolarHBondContact O-N 2.83Å; L161-I163 PolarHBondContact O-N 3.02Å; L161-L164 PolarHBondContact O-N 3.06Å; L161-D165 HydrophobicContact CB-CB 4.21Å; L161-D165 HydrophobicContact CD2-CB 4.07Å; L161-D165 WeakPolarHBondContact O-CB 3.4Å; L161-D165 PolarHBondContact O-N 3.44Å; L161-M168 HydrophobicContact CD2-CE 4.42Å; L161-M168 HydrophobicContact CD2-SD 4.1Å; L161-K204 HydrophobicContact CD2-CB 3.81Å; L161-K204 HydrophobicContact CD2-CG 3.92Å; L161-F205 HydrophobicContact CD1-CE2 4.15Å; L161-F205 HydrophobicContact CD2-CE2 4.05Å; L161-F205 HydrophobicContact CG-CE2 3.89Å; L161-F205 HydrophobicContact CG-CZ 4.26Å
162K96.2Very high95.7Very high169 Ų16940.6 Ų40.674%0.73521%0.211SC*.Hα-helixtrans-53.5-29.5175.5-178.9178177.3-176.50113S158 V160S158-K162 WeakPolarHBondContact O-CB 3.45Å; S158-K162 PolarHBondContact O-N 3.32Å; V160-K162 VanDerWaalsContact C-N 3.33Å; V160-K162 PolarHBondContact O-N 2.97Å
163I97.6Very high95.9Very high21 Ų2147.6 Ų47.611%0.10824%0.242CC..Hα-helixtrans-99.6-46.6-176.9-57.4171.5000111S119 L122 L126 V160 L161S119-I163 WeakPolarHBondContact O-CD1 3.43Å; L122-I163 HydrophobicContact CB-CD1 4.06Å; L122-I163 HydrophobicContact CB-CG2 4.03Å; L126-I163 HydrophobicContact CB-CG2 4.45Å; L126-I163 HydrophobicContact CD2-CG2 4.17Å; L126-I163 WeakPolarHBondContact CD2-O 3.39Å; V160-I163 PolarHBondContact O-N 2.89Å; L161-I163 PolarHBondContact O-N 3.02Å
164L98.4Very high96.1Very high0 Ų051.5 Ų51.50%026%0.264CS..Hα-helixtrans-111.4-4.4-165.8-59.6-177.5000115L122 L126 V160 L161 S166 I167 M168 V188 F190L122-L164 HydrophobicContact CB-CD1 4.37Å; L122-L164 HydrophobicContact CB-CG 4.49Å; L122-L164 HydrophobicContact CD1-CD1 4.14Å; L122-L164 HydrophobicContact CD2-CD1 3.99Å; L122-L164 HydrophobicContact CG-CD1 4.37Å; L126-L164 HydrophobicContact CB-CD2 4Å; L126-L164 HydrophobicContact CD1-CD2 4.31Å; V160-L164 HydrophobicContact CG1-CD1 4.4Å; V160-L164 PolarHBondContact O-N 3.33Å; L161-L164 PolarHBondContact O-N 3.06Å; L164-S166 PolarHBondContact O-N 3.18Å; L164-S166 VanDerWaalsContact O-N 3.1Å; L164-I167 HydrophobicContact CB-CG1 4.44Å; L164-I167 HydrophobicContact CD2-CD1 4.07Å; L164-I167 HydrophobicContact CD2-CG1 4.38Å; L164-I167 CarbonylContact O-C 3.44Å; L164-I167 WeakPolarHBondContact O-CG1 3.22Å; L164-I167 PolarHBondContact O-N 3Å; L164-M168 HydrophobicContact CB-CG 3.81Å; L164-M168 HydrophobicContact CB-SD 3.81Å; L164-M168 WeakPolarHBondContact O-CG 3.49Å; L164-M168 PolarHBondContact O-N 2.77Å; L164-V188 HydrophobicContact CD1-CG1 4.47Å; L164-F190 HydrophobicContact CD1-CD2 4.2Å; L164-F190 HydrophobicContact CD1-CE2 4.28Å
165D98Very high96.4Very high72 Ų7248.2 Ų48.239%0.38525%0.247SC..THydrogen-bonded Turntrans-52.5-40.9-172.1176.257.2000113.5L161 I167 M168 K204L161-D165 HydrophobicContact CB-CB 4.21Å; L161-D165 HydrophobicContact CD2-CB 4.07Å; L161-D165 WeakPolarHBondContact O-CB 3.4Å; L161-D165 PolarHBondContact O-N 3.44Å; D165-I167 PolarHBondContact O-N 2.61Å; D165-M168 PolarHBondContact O-N 2.82Å; D165-K204 VanDerWaalsContact OD1-CE 3.28Å; D165-K204 WeakPolarHBondContact OD1-CE 3.24Å
166S97.8Very high96.7Very high71 Ų7147.6 Ų47.650%0.49724%0.242SC..THydrogen-bonded Turntrans-62.5-25.4-179.761.80000113.5L164 K186L164-S166 PolarHBondContact O-N 3.18Å; L164-S166 VanDerWaalsContact O-N 3.1Å; S166-K186 PolarHBondContact O-NZ 3.19Å
167I98.5Very high96.9Very high13 Ų1349.1 Ų49.17%0.06725%0.25CS..THydrogen-bonded Turntrans-116.9-2.6-178.163.7166000114L126 L129 L164 D165 F169 K186 Q187 V188L126-I167 HydrophobicContact CD1-CD1 3.48Å; L126-I167 VanDerWaalsContact CD1-CD1 3.48Å; L126-I167 HydrophobicContact CD1-CG1 4.1Å; L129-I167 HydrophobicContact CB-CD1 4.17Å; L129-I167 HydrophobicContact CD1-CD1 3.78Å; L164-I167 HydrophobicContact CB-CG1 4.44Å; L164-I167 HydrophobicContact CD2-CD1 4.07Å; L164-I167 HydrophobicContact CD2-CG1 4.38Å; L164-I167 CarbonylContact O-C 3.44Å; L164-I167 WeakPolarHBondContact O-CG1 3.22Å; L164-I167 PolarHBondContact O-N 3Å; D165-I167 PolarHBondContact O-N 2.61Å; I167-F169 PolarHBondContact O-N 3.48Å; I167-K186 WeakPolarHBondContact O-CA 3.3Å; I167-Q187 PolarHBondContact O-N 3.48Å; I167-V188 HydrophobicContact CD1-CG2 3.77Å; I167-V188 HydrophobicContact CG1-CG2 4.1Å; I167-V188 PolarHBondContact O-N 3.19Å
168M98.7Very high97.1Very high0 Ų048.5 Ų48.50%025%0.247CC..BIsolated β-bridgetrans-74.7125.4174.5-78.2171.576.300111.7V160 L161 L164 D165 K186 V188 F190 K204 F205V160-M168 HydrophobicContact CG1-CE 4.2Å; V160-M168 HydrophobicContact CG1-SD 3.87Å; L161-M168 HydrophobicContact CD2-CE 4.42Å; L161-M168 HydrophobicContact CD2-SD 4.1Å; L164-M168 HydrophobicContact CB-CG 3.81Å; L164-M168 HydrophobicContact CB-SD 3.81Å; L164-M168 WeakPolarHBondContact O-CG 3.49Å; L164-M168 PolarHBondContact O-N 2.77Å; D165-M168 PolarHBondContact O-N 2.82Å; M168-K186 WeakPolarHBondContact O-CD 3.42Å; M168-V188 WeakPolarHBondContact CA-O 3.4Å; M168-V188 HydrophobicContact CG-CB 4.21Å; M168-V188 HydrophobicContact CG-CG1 4.28Å; M168-F190 HydrophobicContact CE-CB 3.51Å; M168-F190 HydrophobicContact CE-CD2 4.48Å; M168-F190 HydrophobicContact CE-CG 4.07Å; M168-K204 HydrophobicContact CB-CD 4.2Å; M168-K204 HydrophobicContact CE-CB 3.87Å; M168-K204 WeakPolarHBondContact CE-O 3.4Å; M168-K204 PolarHBondContact O-NZ 3.25Å; M168-F205 HydrophobicContact CE-CD1 4.18Å; M168-F205 HydrophobicContact CE-CD2 4.26Å; M168-F205 HydrophobicContact CE-CE1 4.05Å; M168-F205 HydrophobicContact CE-CE2 4.13Å; M168-F205 HydrophobicContact CE-CG 4.28Å; M168-F205 HydrophobicContact CE-CZ 4.01Å
169F98.6Very high97.3Very high15 Ų1548.6 Ų48.67%0.06624%0.24CC..PPolyproline II helixtrans-80.8120.8171.1-166.9-96.2000109.3I167 Q172 P176 L181 A184 K186 V188 I189 W206I167-F169 PolarHBondContact O-N 3.48Å; F169-Q172 HydrophobicContact CE1-CG 3.67Å; F169-Q172 HydrophobicContact CZ-CG 4.23Å; F169-P176 HydrophobicContact CD1-CG 4.22Å; F169-P176 HydrophobicContact CE1-CB 3.97Å; F169-P176 HydrophobicContact CE1-CG 3.87Å; F169-P176 HydrophobicContact CZ-CB 4.15Å; F169-P176 HydrophobicContact CZ-CG 4.49Å; F169-L181 HydrophobicContact CB-CD2 4.12Å; F169-L181 HydrophobicContact CB-CG 4.34Å; F169-L181 HydrophobicContact CD2-CG 3.91Å; F169-L181 HydrophobicContact CE2-CG 4.35Å; F169-L181 HydrophobicContact CG-CD2 4.35Å; F169-L181 HydrophobicContact CG-CG 4.05Å; F169-A184 HydrophobicContact CD2-CB 4.47Å; F169-A184 HydrophobicContact CE2-CB 4.27Å; F169-K186 HydrophobicContact CB-CB 3.85Å; F169-K186 HydrophobicContact CB-CG 4.34Å; F169-K186 HydrophobicContact CD2-CB 3.82Å; F169-K186 HydrophobicContact CD2-CG 3.93Å; F169-K186 HydrophobicContact CG-CB 4.34Å; F169-V188 PolarHBondContact N-O 2.92Å; F169-I189 HydrophobicContact CB-CG1 4.45Å; F169-W206 HydrophobicContact CD1-CZ2 4.06Å; F169-W206 HydrophobicContact CE1-CZ2 4.38Å; F169-W206 PolarHBondContact O-NE1 3.08Å; F169-W206 VanDerWaalsContact O-NE1 3.12Å
170P98Very high97.5Very high42 Ų4252.5 Ų52.527%0.27326%0.257SS..PPolyproline II helixtrans-62.6159.1-17728-34.3000112.1Q172 K204 W206P170-Q172 PolarHBondContact O-N 3.2Å; P170-K204 HydrophobicContact CB-CD 4.19Å; P170-W206 PolarHBondContact O-NE1 2.68Å
171Y97.4Very high97.6Very high93 Ų9352.5 Ų52.537%0.36526%0.257SS..PPolyproline II helixtrans-57.8136174.8171-109.4000111.2P203 W206 P207Y171-P203 PolarHBondContact N-O 3.11Å; Y171-W206 HydrophobicContact CD2-CB 4.36Å; Y171-W206 AromaticContact CD2-CD2 3.82Å; Y171-W206 HydrophobicContact CD2-CD2 3.82Å; Y171-W206 AromaticContact CD2-CE3 3.79Å; Y171-W206 HydrophobicContact CD2-CE3 3.79Å; Y171-W206 HydrophobicContact CD2-CG 4.08Å; Y171-W206 HydrophobicContact CD2-CZ3 4.26Å; Y171-W206 HydrophobicContact CE2-CE3 4.25Å; Y171-P207 VanDerWaalsContact CD2-CD 3.47Å; Y171-P207 HydrophobicContact CD2-CG 4.32Å; Y171-P207 HydrophobicContact CE2-CG 3.98Å
172Q95.6Very high97.6Very high96 Ų9652.4 Ų52.445%0.44926%0.255SS..  trans-129.5149.9172.3-67.1-66.9-19.600108.3F169 P170 N174 W206F169-Q172 HydrophobicContact CE1-CG 3.67Å; F169-Q172 HydrophobicContact CZ-CG 4.23Å; P170-Q172 PolarHBondContact O-N 3.2Å; Q172-N174 VanDerWaalsContact C-N 3.26Å; Q172-N174 WeakPolarHBondContact CB-O 3.42Å; Q172-N174 PolarHBondContact O-N 2.83Å; Q172-W206 HydrophobicContact CB-CH2 4.23Å; Q172-W206 HydrophobicContact CB-CZ2 4.36Å
173K94Very high97.7Very high154 Ų15448.6 Ų48.667%0.6725%0.249SC*.SBendtrans-64.1-34.3176.8-174.6179178.1-176.40112N241K173-N241 WeakPolarHBondContact O-CB 3.23Å
174N95.5Very high97.7Very high110 Ų11049.8 Ų49.859%0.58826%0.262SS*.SBendtrans-102.6149.9178.1-62.5-24.6000109.8Q172Q172-N174 VanDerWaalsContact C-N 3.26Å; Q172-N174 WeakPolarHBondContact CB-O 3.42Å; Q172-N174 PolarHBondContact O-N 2.83Å
175I98.1Very high97.7Very high9 Ų954.1 Ų54.15%0.04629%0.292CS..PPolyproline II helixtrans-73.4124.5176.3-58.1-75.3000108.9A19 L20 N21 W206 D240 F243A19-I175 HydrophobicContact CB-CB 4.49Å; A19-I175 HydrophobicContact CB-CG2 4.48Å; L20-I175 HydrophobicContact CB-CG2 3.82Å; N21-I175 HydrophobicContact CB-CB 4.12Å; N21-I175 HydrophobicContact CB-CG1 3.89Å; N21-I175 HydrophobicContact CB-CG2 3.86Å; I175-W206 HydrophobicContact CD1-CZ3 3.83Å; I175-D240 VanDerWaalsContact CG1-O 3.27Å; I175-D240 WeakPolarHBondContact CG1-O 3.3Å; I175-F243 HydrophobicContact CD1-CD1 4.37Å; I175-F243 HydrophobicContact CD1-CD2 3.56Å; I175-F243 HydrophobicContact CD1-CE1 4.18Å; I175-F243 HydrophobicContact CD1-CE2 3.34Å; I175-F243 HydrophobicContact CD1-CG 4.09Å; I175-F243 HydrophobicContact CD1-CZ 3.68Å; I175-F243 HydrophobicContact CG2-CD1 4.48Å; I175-F243 HydrophobicContact CG2-CE1 3.67Å; I175-F243 HydrophobicContact CG2-CE2 4.34Å; I175-F243 HydrophobicContact CG2-CZ 3.59Å
176P98.2Very high97.7Very high4 Ų452.8 Ų52.83%0.02628%0.283CS..PPolyproline II helixtrans-72.2161.2-175.930.6-38.9000112.4L20 F169 E180 L181 I189 W206L20-P176 HydrophobicContact CD1-CG 4.34Å; L20-P176 WeakPolarHBondContact CG-O 3.38Å; L20-P176 PolarHBondContact N-O 2.8Å; F169-P176 HydrophobicContact CD1-CG 4.22Å; F169-P176 HydrophobicContact CE1-CB 3.97Å; F169-P176 HydrophobicContact CE1-CG 3.87Å; F169-P176 HydrophobicContact CZ-CB 4.15Å; F169-P176 HydrophobicContact CZ-CG 4.49Å; P176-E180 WeakPolarHBondContact CA-OE2 3.45Å; P176-E180 HydrophobicContact CB-CB 4.23Å; P176-E180 WeakPolarHBondContact CB-OE2 3.34Å; P176-L181 HydrophobicContact CB-CD1 3.74Å; P176-L181 HydrophobicContact CG-CD1 3.61Å; P176-I189 HydrophobicContact CG-CD1 3.96Å; P176-W206 HydrophobicContact CG-CH2 4.45Å
177I98.4Very high97.7Very high32 Ų3250 Ų5016%0.16426%0.262CS..BIsolated β-bridgetrans-85.7163.9164.667.9171.7000110.2Q17 E179 E180 L181Q17-I177 WeakPolarHBondContact O-CG2 3.48Å; I177-E179 VanDerWaalsContact C-N 3.27Å; I177-E179 HydrophobicContact CD1-CB 3.76Å; I177-E179 HydrophobicContact CG1-CB 4.07Å; I177-E179 PolarHBondContact O-N 2.98Å; I177-E180 HydrophobicContact CD1-CG 4.42Å; I177-E180 HydrophobicContact CG1-CB 4.24Å; I177-E180 HydrophobicContact CG1-CG 3.73Å; I177-E180 WeakPolarHBondContact CG1-OE2 3.41Å; I177-E180 PolarHBondContact N-OE2 3Å; I177-E180 PolarHBondContact O-N 3.09Å; I177-L181 WeakPolarHBondContact O-CD1 3.33Å
178L98.6Very high97.7Very high1 Ų149.3 Ų49.31%0.00526%0.259CS..Hα-helixtrans-58.5-39.1178.9-77.4169.5000112.8M8 L11 S16 L20 I23 V136 E180 L181 W182M8-L178 HydrophobicContact CB-CD1 4.32Å; M8-L178 HydrophobicContact CB-CD2 4.41Å; M8-L178 HydrophobicContact SD-CD2 4.02Å; L11-L178 HydrophobicContact CD1-CD1 3.76Å; S16-L178 PolarHBondContact O-N 3.4Å; L20-L178 HydrophobicContact CD2-CD2 3.69Å; L20-L178 HydrophobicContact CD2-CG 3.82Å; I23-L178 HydrophobicContact CD1-CD1 4.44Å; V136-L178 HydrophobicContact CB-CD2 4.01Å; V136-L178 HydrophobicContact CG2-CD2 3.74Å; L178-E180 VanDerWaalsContact C-N 3.29Å; L178-E180 PolarHBondContact O-N 3.48Å; L178-L181 PolarHBondContact O-N 2.89Å; L178-W182 HydrophobicContact CB-CD2 4.27Å; L178-W182 HydrophobicContact CB-CE3 4.31Å; L178-W182 HydrophobicContact CB-CH2 3.65Å; L178-W182 HydrophobicContact CB-CZ2 3.63Å; L178-W182 HydrophobicContact CB-CZ3 3.98Å; L178-W182 HydrophobicContact CD1-CH2 3.96Å; L178-W182 HydrophobicContact CD1-CZ2 3.92Å; L178-W182 HydrophobicContact CD2-CZ2 4.07Å; L178-W182 HydrophobicContact CG-CH2 4.34Å; L178-W182 HydrophobicContact CG-CZ2 4.09Å; L178-W182 VanDerWaalsContact O-CG 3.28Å; L178-W182 PolarHBondContact O-N 2.92Å
179E97.5Very high97.7Very high74 Ų7449.3 Ų49.335%0.34626%0.259SS..Hα-helixtrans-62.1-33.8-178.1-164.464.1-142.700113.2I177 W182 S183I177-E179 VanDerWaalsContact C-N 3.27Å; I177-E179 HydrophobicContact CD1-CB 3.76Å; I177-E179 HydrophobicContact CG1-CB 4.07Å; I177-E179 PolarHBondContact O-N 2.98Å; E179-W182 PolarHBondContact O-N 3.38Å; E179-S183 VanDerWaalsContact O-CB 3.22Å; E179-S183 WeakPolarHBondContact O-CB 3.4Å; E179-S183 PolarHBondContact O-N 2.92Å; E179-S183 PolarHBondContact O-OG 2.82Å
180E98.1Very high97.7Very high97 Ų9748.6 Ų48.645%0.45326%0.256SS..Hα-helixtrans-66.1-40.3177.2-74.3174.2113.700111.3P176 I177 L178 A184P176-E180 WeakPolarHBondContact CA-OE2 3.45Å; P176-E180 HydrophobicContact CB-CB 4.23Å; P176-E180 WeakPolarHBondContact CB-OE2 3.34Å; I177-E180 HydrophobicContact CD1-CG 4.42Å; I177-E180 HydrophobicContact CG1-CB 4.24Å; I177-E180 HydrophobicContact CG1-CG 3.73Å; I177-E180 WeakPolarHBondContact CG1-OE2 3.41Å; I177-E180 PolarHBondContact N-OE2 3Å; I177-E180 PolarHBondContact O-N 3.09Å; L178-E180 VanDerWaalsContact C-N 3.29Å; L178-E180 PolarHBondContact O-N 3.48Å; E180-A184 VanDerWaalsContact O-CB 3.3Å; E180-A184 WeakPolarHBondContact O-CB 3.38Å; E180-A184 PolarHBondContact O-N 3.39Å
181L98.5Very high97.8Very high0 Ų046.6 Ų46.60%024%0.243CC..Hα-helixtrans-67.2-47.2175.8-7492.4000111L20 V136 F169 P176 I177 L178 A184 S185 K186 I189L20-L181 HydrophobicContact CD1-CD1 3.98Å; V136-L181 HydrophobicContact CB-CD2 4.38Å; V136-L181 HydrophobicContact CG1-CD2 3.59Å; V136-L181 HydrophobicContact CG2-CB 4.13Å; V136-L181 HydrophobicContact CG2-CD2 3.84Å; F169-L181 HydrophobicContact CB-CD2 4.12Å; F169-L181 HydrophobicContact CB-CG 4.34Å; F169-L181 HydrophobicContact CD2-CG 3.91Å; F169-L181 HydrophobicContact CE2-CG 4.35Å; F169-L181 HydrophobicContact CG-CD2 4.35Å; F169-L181 HydrophobicContact CG-CG 4.05Å; P176-L181 HydrophobicContact CB-CD1 3.74Å; P176-L181 HydrophobicContact CG-CD1 3.61Å; I177-L181 WeakPolarHBondContact O-CD1 3.33Å; L178-L181 PolarHBondContact O-N 2.89Å; L181-A184 CarbonylContact O-C 2.96Å; L181-A184 PolarHBondContact O-N 2.73Å; L181-S185 PolarHBondContact O-N 3.23Å; L181-S185 VanDerWaalsContact O-N 3.14Å; L181-K186 CarbonylContact C-O 3.58Å; L181-K186 WeakPolarHBondContact CB-O 3.43Å; L181-K186 PolarHBondContact O-N 3.15Å; L181-K186 VanDerWaalsContact O-O 3.1Å; L181-I189 HydrophobicContact CD2-CD1 4.35Å; L181-I189 HydrophobicContact CD2-CG1 4.17Å
182W98Very high97.7Very high28 Ų2842.2 Ų42.211%0.10623%0.225CC..Hα-helixtrans-61.7-46.3-179.9-60-26.4000112.1R134 L178 E179 A184 S185R134-W182 HydrophobicContact CB-CZ2 4.41Å; R134-W182 HydrophobicContact CG-CD2 4.4Å; R134-W182 HydrophobicContact CG-CG 4.29Å; R134-W182 WeakPolarHBondContact O-CZ2 3.28Å; R134-W182 PolarHBondContact O-NE1 3.47Å; L178-W182 HydrophobicContact CB-CD2 4.27Å; L178-W182 HydrophobicContact CB-CE3 4.31Å; L178-W182 HydrophobicContact CB-CH2 3.65Å; L178-W182 HydrophobicContact CB-CZ2 3.63Å; L178-W182 HydrophobicContact CB-CZ3 3.98Å; L178-W182 HydrophobicContact CD1-CH2 3.96Å; L178-W182 HydrophobicContact CD1-CZ2 3.92Å; L178-W182 HydrophobicContact CD2-CZ2 4.07Å; L178-W182 HydrophobicContact CG-CH2 4.34Å; L178-W182 HydrophobicContact CG-CZ2 4.09Å; L178-W182 VanDerWaalsContact O-CG 3.28Å; L178-W182 PolarHBondContact O-N 2.92Å; E179-W182 PolarHBondContact O-N 3.38Å; W182-A184 PolarHBondContact O-N 3.5Å; W182-S185 PolarHBondContact O-N 3Å
183S97.7Very high97.7Very high89 Ų8939.6 Ų39.662%0.62222%0.217SC*.Hα-helixtrans-62.1-33.1178.2-63.80000112.2E179 S185E179-S183 VanDerWaalsContact O-CB 3.22Å; E179-S183 WeakPolarHBondContact O-CB 3.4Å; E179-S183 PolarHBondContact O-N 2.92Å; E179-S183 PolarHBondContact O-OG 2.82Å; S183-S185 VanDerWaalsContact C-N 3.28Å; S183-S185 PolarHBondContact O-N 3.21Å
184A97.8Very high97.8Very high46 Ų4632.5 Ų32.538%0.3819%0.186SC..THydrogen-bonded Turntrans-83.80.9175.600000113.8F169 E180 L181 W182 K186F169-A184 HydrophobicContact CD2-CB 4.47Å; F169-A184 HydrophobicContact CE2-CB 4.27Å; E180-A184 VanDerWaalsContact O-CB 3.3Å; E180-A184 WeakPolarHBondContact O-CB 3.38Å; E180-A184 PolarHBondContact O-N 3.39Å; L181-A184 CarbonylContact O-C 2.96Å; L181-A184 PolarHBondContact O-N 2.73Å; W182-A184 PolarHBondContact O-N 3.5Å; A184-K186 HydrophobicContact CB-CG 3.86Å; A184-K186 WeakPolarHBondContact O-CG 3.38Å; A184-K186 PolarHBondContact O-N 3.47Å
185S97.9Very high97.7Very high90 Ų9027.9 Ų27.963%0.62916%0.161SC*.THydrogen-bonded Turntrans51.540.9-171.2-58.40000112.5L181 W182 S183L181-S185 PolarHBondContact O-N 3.23Å; L181-S185 VanDerWaalsContact O-N 3.14Å; W182-S185 PolarHBondContact O-N 3Å; S183-S185 VanDerWaalsContact C-N 3.28Å; S183-S185 PolarHBondContact O-N 3.21Å
186K98.4Very high97.3Very high44 Ų4436.7 Ų36.719%0.19120%0.202CC..  trans-115.2154.9176.4-55.2-54.5174.1-174.90110.1S166 I167 M168 F169 L181 A184S166-K186 PolarHBondContact O-NZ 3.19Å; I167-K186 WeakPolarHBondContact O-CA 3.3Å; M168-K186 WeakPolarHBondContact O-CD 3.42Å; F169-K186 HydrophobicContact CB-CB 3.85Å; F169-K186 HydrophobicContact CB-CG 4.34Å; F169-K186 HydrophobicContact CD2-CB 3.82Å; F169-K186 HydrophobicContact CD2-CG 3.93Å; F169-K186 HydrophobicContact CG-CB 4.34Å; L181-K186 CarbonylContact C-O 3.58Å; L181-K186 WeakPolarHBondContact CB-O 3.43Å; L181-K186 PolarHBondContact O-N 3.15Å; L181-K186 VanDerWaalsContact O-O 3.1Å; A184-K186 HydrophobicContact CB-CG 3.86Å; A184-K186 WeakPolarHBondContact O-CG 3.38Å; A184-K186 PolarHBondContact O-N 3.47Å
187Q98.4Very high96.9Very high12 Ų1238.5 Ų38.56%0.05622%0.215CC..  trans-142.3-18.3-173-63.4179.3-94.800113.3L129 N132 P133 E135 V136 L137 I167L129-Q187 HydrophobicContact CD1-CB 4.4Å; L129-Q187 HydrophobicContact CD2-CB 4.42Å; L129-Q187 PolarHBondContact O-NE2 3.01Å; L129-Q187 PolarHBondContact O-OE1 2.91Å; N132-Q187 PolarHBondContact O-NE2 2.84Å; P133-Q187 PolarHBondContact O-NE2 3.46Å; E135-Q187 PolarHBondContact O-NE2 3.42Å; V136-Q187 CarbonylContact C-O 3.6Å; V136-Q187 VanDerWaalsContact CA-O 3.26Å; V136-Q187 WeakPolarHBondContact CA-O 3.47Å; L137-Q187 PolarHBondContact N-O 3.12Å; I167-Q187 PolarHBondContact O-N 3.48Å
188V98.9Very high96.3Very high0 Ų040.5 Ų40.50%023%0.23CC..EExtended strand (participates in β ladder)trans-114.5123.8-174.7-179.50000111.3L129 L137 V139 L164 I167 M168 F169 F190L129-V188 HydrophobicContact CD1-CG2 3.42Å; L129-V188 VanDerWaalsContact CD1-CG2 3.42Å; L137-V188 WeakPolarHBondContact O-CA 3.4Å; V139-V188 HydrophobicContact CG2-CG1 4.35Å; L164-V188 HydrophobicContact CD1-CG1 4.47Å; I167-V188 HydrophobicContact CD1-CG2 3.77Å; I167-V188 HydrophobicContact CG1-CG2 4.1Å; I167-V188 PolarHBondContact O-N 3.19Å; M168-V188 WeakPolarHBondContact CA-O 3.4Å; M168-V188 HydrophobicContact CG-CB 4.21Å; M168-V188 HydrophobicContact CG-CG1 4.28Å; F169-V188 PolarHBondContact N-O 2.92Å; V188-F190 HydrophobicContact CG1-CB 4.19Å; V188-F190 HydrophobicContact CG1-CD2 4.25Å
189I98.8Very high95.9Very high0 Ų047.3 Ų47.30%026%0.262CS..EExtended strand (participates in β ladder)trans-98114160.4-66.6176.7000106.8L20 L137 I138 V139 F169 P176 L181 I191 W206 F243L20-I189 HydrophobicContact CD1-CD1 3.65Å; L137-I189 PolarHBondContact O-N 2.97Å; I138-I189 WeakPolarHBondContact CA-O 3.23Å; I138-I189 HydrophobicContact CG1-CB 4.37Å; V139-I189 PolarHBondContact N-O 3.49Å; F169-I189 HydrophobicContact CB-CG1 4.45Å; P176-I189 HydrophobicContact CG-CD1 3.96Å; L181-I189 HydrophobicContact CD2-CD1 4.35Å; L181-I189 HydrophobicContact CD2-CG1 4.17Å; I189-I191 HydrophobicContact CG2-CD1 4.32Å; I189-I191 HydrophobicContact CG2-CG1 3.92Å; I189-W206 HydrophobicContact CD1-CZ2 4.43Å; I189-W206 HydrophobicContact CG2-CD2 3.76Å; I189-W206 HydrophobicContact CG2-CE3 4.35Å; I189-W206 HydrophobicContact CG2-CG 3.87Å; I189-W206 HydrophobicContact CG2-CZ2 4.48Å; I189-F243 HydrophobicContact CD1-CE2 4.42Å; I189-F243 HydrophobicContact CD1-CZ 3.93Å; I189-F243 HydrophobicContact CG2-CE2 4.22Å
190F98.7Very high95.8Very high0 Ų048.9 Ų48.90%027%0.267CS..EExtended strand (participates in β ladder)trans-107.6104.4-177-156.4-67.2000109.8L122 V139 C141 F156 V160 L164 M168 V188 F205 W206L122-F190 HydrophobicContact CD1-CE2 4.41Å; L122-F190 HydrophobicContact CD2-CE2 4.26Å; V139-F190 HydrophobicContact CB-CD2 3.94Å; V139-F190 HydrophobicContact CB-CE2 4.07Å; V139-F190 HydrophobicContact CB-CG 4.38Å; V139-F190 HydrophobicContact CG1-CD2 4.12Å; V139-F190 HydrophobicContact CG1-CE1 4.49Å; V139-F190 HydrophobicContact CG1-CE2 3.72Å; V139-F190 HydrophobicContact CG1-CZ 3.94Å; V139-F190 HydrophobicContact CG2-CD2 4.45Å; C141-F190 HydrophobicContact CB-CE1 4.41Å; C141-F190 WeakPolarHBondContact SG-CE1 3.22Å; C141-F190 WeakPolarHBondContact SG-CZ 3.22Å; F156-F190 AromaticContact CZ-CE1 3.94Å; F156-F190 HydrophobicContact CZ-CE1 3.94Å; F156-F190 HydrophobicContact CZ-CZ 4.22Å; V160-F190 HydrophobicContact CG1-CD2 3.79Å; V160-F190 HydrophobicContact CG1-CE2 3.6Å; V160-F190 HydrophobicContact CG1-CG 4.34Å; V160-F190 HydrophobicContact CG1-CZ 4Å; V160-F190 HydrophobicContact CG2-CE2 4.22Å; V160-F190 HydrophobicContact CG2-CZ 3.9Å; L164-F190 HydrophobicContact CD1-CD2 4.2Å; L164-F190 HydrophobicContact CD1-CE2 4.28Å; M168-F190 HydrophobicContact CE-CB 3.51Å; M168-F190 HydrophobicContact CE-CD2 4.48Å; M168-F190 HydrophobicContact CE-CG 4.07Å; V188-F190 HydrophobicContact CG1-CB 4.19Å; V188-F190 HydrophobicContact CG1-CD2 4.25Å; F190-F205 HydrophobicContact CB-CD1 4.44Å; F190-F205 AromaticContact CD1-CD1 3.55Å; F190-F205 HydrophobicContact CD1-CD1 3.55Å; F190-F205 AromaticContact CD1-CE1 3.68Å; F190-F205 HydrophobicContact CD1-CE1 3.68Å; F190-F205 HydrophobicContact CE1-CD1 4.1Å; F190-F205 AromaticContact CE1-CE1 3.9Å; F190-F205 HydrophobicContact CE1-CE1 3.9Å; F190-F205 HydrophobicContact CG-CD1 4.2Å; F190-F205 HydrophobicContact CG-CE1 4.2Å; F190-F205 WeakPolarHBondContact O-CA 3.37Å; F190-W206 PolarHBondContact O-N 3.1Å
191I98.4Very high95.7Very high0 Ų045 Ų450%025%0.25CC..EExtended strand (participates in β ladder)trans-97.2137.6179.6-44.4179.8000108.6I138 V139 C141 I189 W206 I211 F243I138-I191 HydrophobicContact CG2-CD1 3.87Å; I138-I191 HydrophobicContact CG2-CG1 4.32Å; V139-I191 PolarHBondContact O-N 2.97Å; C141-I191 PolarHBondContact N-O 2.92Å; I189-I191 HydrophobicContact CG2-CD1 4.32Å; I189-I191 HydrophobicContact CG2-CG1 3.92Å; I191-W206 WeakPolarHBondContact CA-O 3.34Å; I191-W206 HydrophobicContact CB-CB 4.29Å; I191-W206 HydrophobicContact CG1-CB 3.91Å; I191-W206 HydrophobicContact CG2-CB 4.36Å; I191-I211 HydrophobicContact CD1-CB 4Å; I191-I211 HydrophobicContact CD1-CD1 3.8Å; I191-I211 HydrophobicContact CD1-CG2 4.33Å; I191-I211 HydrophobicContact CG2-CB 4.44Å; I191-I211 HydrophobicContact CG2-CG2 3.74Å; I191-F243 HydrophobicContact CD1-CD2 3.78Å; I191-F243 HydrophobicContact CD1-CE2 4.15Å
192S97.1Very high95.6Very high0 Ų048.3 Ų48.30%027%0.265CS..EExtended strand (participates in β ladder)trans-154.4143.8179.41790000113.6H194 W206 S208S192-H194 WeakPolarHBondContact CB-ND1 3.3Å; S192-H194 WeakPolarHBondContact OG-CB 3.23Å; S192-H194 PolarHBondContact OG-N 3.01Å; S192-H194 PolarHBondContact OG-ND1 3.32Å; S192-W206 PolarHBondContact N-O 2.68Å; S192-W206 VanDerWaalsContact N-O 3.08Å; S192-S208 PolarHBondContact O-N 3.35Å
193C95.5Very high95.5Very high41 Ų4151.5 Ų51.528%0.27729%0.289SS..  trans-93.311.4174.175.20000114C141 N142 R195C141-C193 PolarHBondContact O-N 3.39Å; C141-C193 VanDerWaalsContact O-N 3.16Å; C141-C193 PolarHBondContact O-SG 2.96Å; N142-C193 PolarHBondContact O-SG 3.4Å; C193-R195 PolarHBondContact O-N 3.14Å
194H95.1Very high95.5Very high5 Ų549 Ų492%0.02327%0.267CS..SBendtrans-59.9-18.8-175.467.1-70.1000114.9C144 F147 K153 F156 E157 S192C144-H194 HydrophobicContact CB-CB 4.5Å; F147-H194 HydrophobicContact CD1-CB 3.8Å; F147-H194 HydrophobicContact CE1-CB 3.87Å; K153-H194 VanDerWaalsContact CD-O 3.23Å; K153-H194 WeakPolarHBondContact CD-O 3.4Å; K153-H194 VanDerWaalsContact CE-O 3.22Å; K153-H194 WeakPolarHBondContact CE-O 3.39Å; F156-H194 HydrophobicContact CD1-CB 4.06Å; F156-H194 AromaticContact CD1-CD2 3.92Å; F156-H194 AromaticContact CD1-CG 3.86Å; F156-H194 HydrophobicContact CE1-CB 4.07Å; F156-H194 AromaticContact CE1-CG 3.8Å; F156-H194 AromaticContact CE1-ND1 3.93Å; E157-H194 IonicContact OE1-CD2 3.15Å; E157-H194 IonicContact OE1-NE2 2.8Å; E157-H194 PolarHBondContact OE1-NE2 3.11Å; S192-H194 WeakPolarHBondContact CB-ND1 3.3Å; S192-H194 WeakPolarHBondContact OG-CB 3.23Å; S192-H194 PolarHBondContact OG-N 3.01Å; S192-H194 PolarHBondContact OG-ND1 3.32Å
195R94.7Very high95.5Very high13 Ų1346.9 Ų46.95%0.04925%0.249CC..  trans-131.9137.9174.8-75.2172.9-171.4-68.73.5109.7D150 K153 D154 E157 C193 K200 I201D150-R195 IonicContact OD1-NH1 3.49Å; D150-R195 PolarHBondContact OD1-NH1 2.85Å; K153-R195 HydrophobicContact CB-CG 4.39Å; K153-R195 VanDerWaalsContact CB-CZ 3.44Å; K153-R195 VanDerWaalsContact CB-NH2 3.35Å; K153-R195 HydrophobicContact CD-CG 3.68Å; K153-R195 HydrophobicContact CG-CG 4.43Å; D154-R195 IonicContact OD1-CZ 2.69Å; D154-R195 IonicContact OD1-NH2 2.63Å; D154-R195 PolarHBondContact OD1-NH2 3.4Å; E157-R195 IonicContact OE1-CZ 3.18Å; E157-R195 IonicContact OE1-NE 3.17Å; E157-R195 PolarHBondContact OE1-NE 2.84Å; E157-R195 IonicContact OE1-NH2 2.8Å; E157-R195 IonicContact OE2-NH2 3.17Å; C193-R195 PolarHBondContact O-N 3.14Å; R195-K200 VanDerWaalsContact CD-O 3.29Å; R195-K200 WeakPolarHBondContact CD-O 3.44Å; R195-K200 PolarHBondContact NE-O 3.03Å; R195-I201 HydrophobicContact CB-CD1 4.15Å; R195-I201 HydrophobicContact CB-CG1 3.58Å; R195-I201 HydrophobicContact CG-CG1 4.27Å
196E88.2Confident95.5Very high195 Ų19542.6 Ų42.691%0.91122%0.219SC*.SBendtrans-77.8-42.1175.1-63.8179.1178.400111.7P198E196-P198 VanDerWaalsContact O-CD 3.24Å; E196-P198 WeakPolarHBondContact O-CD 3.25Å
197S90.7Very high95.4Very high42 Ų4241 Ų4129%0.29421%0.213SC..  trans-77.7108.3178-89.10000111.6E199 K200S197-E199 VanDerWaalsContact CB-CD 3.43Å; S197-E199 WeakPolarHBondContact CB-OE1 3.34Å; S197-E199 PolarHBondContact O-N 3.31Å; S197-E199 PolarHBondContact OG-OE1 2.84Å; S197-K200 PolarHBondContact O-N 3.03Å; S197-K200 VanDerWaalsContact O-N 3.12Å
198P85.6Confident95.3Very high74 Ų7443 Ų4348%0.48123%0.229SC..G310 helixtrans-61.1-29.9-179.8-22.535.5000113.5E196 K200 I201 P207E196-P198 VanDerWaalsContact O-CD 3.24Å; E196-P198 WeakPolarHBondContact O-CD 3.25Å; P198-K200 PolarHBondContact O-N 2.96Å; P198-I201 WeakPolarHBondContact O-CB 3.36Å; P198-I201 PolarHBondContact O-N 2.81Å; P198-P207 HydrophobicContact CB-CB 4.32Å
199E90.8Very high95.1Very high144 Ų14446.7 Ų46.767%0.67325%0.254SS*.G310 helixtrans-68.1-19.4178.871.3-76178.300113.9S197S197-E199 VanDerWaalsContact CB-CD 3.43Å; S197-E199 WeakPolarHBondContact CB-OE1 3.34Å; S197-E199 PolarHBondContact O-N 3.31Å; S197-E199 PolarHBondContact OG-OE1 2.84Å
200K94.3Very high95Very high107 Ų10746.8 Ų46.847%0.46526%0.255SS..G310 helixtrans-91.6-11.5175.7-67.2-171174.6-169.50112.9D150 R195 S197 P198D150-K200 IonicContact OD2-NZ 3.5Å; D150-K200 PolarHBondContact OD2-NZ 3.23Å; R195-K200 VanDerWaalsContact CD-O 3.29Å; R195-K200 WeakPolarHBondContact CD-O 3.44Å; R195-K200 PolarHBondContact NE-O 3.03Å; S197-K200 PolarHBondContact O-N 3.03Å; S197-K200 VanDerWaalsContact O-N 3.12Å; P198-K200 PolarHBondContact O-N 2.96Å
201I95.5Very high94.9Very high16 Ų1647.7 Ų47.78%0.08226%0.26CS..SBendtrans-74.2132-178.4-66.8174.8000108.9R195 P198 F205 P207R195-I201 HydrophobicContact CB-CD1 4.15Å; R195-I201 HydrophobicContact CB-CG1 3.58Å; R195-I201 HydrophobicContact CG-CG1 4.27Å; P198-I201 WeakPolarHBondContact O-CB 3.36Å; P198-I201 PolarHBondContact O-N 2.81Å; I201-F205 HydrophobicContact CG2-CB 3.51Å; I201-P207 HydrophobicContact CD1-CB 3.92Å
202H97.2Very high94.9Very high69 Ų6953.4 Ų53.432%0.31929%0.285SS..  trans-56.6134.6173.7-178.6-82.8000110.8E157 K204 F205E157-H202 HydrophobicContact CG-CB 4.4Å; E157-H202 PolarHBondContact OE1-N 2.8Å; E157-H202 WeakPolarHBondContact OE2-CB 3.46Å; H202-K204 WeakPolarHBondContact ND1-CB 3.38Å; H202-K204 PolarHBondContact ND1-N 3.14Å; H202-K204 PolarHBondContact O-N 3.22Å; H202-F205 HydrophobicContact CB-CD2 3.88Å; H202-F205 HydrophobicContact CB-CE2 4.21Å; H202-F205 PolarHBondContact O-N 2.93Å
203P96.7Very high94.8Very high95 Ų9555.1 Ų55.162%0.61730%0.297SS*.THydrogen-bonded Turntrans-58.1-14.8-169.5-28.134.9000116.9Y171Y171-P203 PolarHBondContact N-O 3.11Å
204K97.4Very high94.9Very high35 Ų3554.2 Ų54.215%0.15229%0.288CS..THydrogen-bonded Turntrans-77.2-19.4174.2-71.4-72-164.8168.50114.1L161 D165 M168 P170 H202L161-K204 HydrophobicContact CD2-CB 3.81Å; L161-K204 HydrophobicContact CD2-CG 3.92Å; D165-K204 VanDerWaalsContact OD1-CE 3.28Å; D165-K204 WeakPolarHBondContact OD1-CE 3.24Å; M168-K204 HydrophobicContact CB-CD 4.2Å; M168-K204 HydrophobicContact CE-CB 3.87Å; M168-K204 WeakPolarHBondContact CE-O 3.4Å; M168-K204 PolarHBondContact O-NZ 3.25Å; P170-K204 HydrophobicContact CB-CD 4.19Å; H202-K204 WeakPolarHBondContact ND1-CB 3.38Å; H202-K204 PolarHBondContact ND1-N 3.14Å; H202-K204 PolarHBondContact O-N 3.22Å
205F98.2Very high94.9Very high2 Ų258.5 Ų58.51%0.00930%0.304CS..EExtended strand (participates in β ladder)trans-97.9139.7-179.7-65.1-100.1000109.8F156 E157 V160 L161 M168 F190 I201 H202F156-F205 HydrophobicContact CE1-CE1 4.14Å; E157-F205 HydrophobicContact CB-CE2 3.91Å; E157-F205 HydrophobicContact CB-CZ 4.1Å; E157-F205 HydrophobicContact CG-CD2 4.3Å; E157-F205 HydrophobicContact CG-CE2 3.89Å; E157-F205 HydrophobicContact CG-CZ 4.15Å; V160-F205 HydrophobicContact CB-CE1 4.01Å; V160-F205 HydrophobicContact CB-CZ 3.75Å; V160-F205 HydrophobicContact CG1-CE1 3.77Å; V160-F205 HydrophobicContact CG1-CZ 3.75Å; V160-F205 HydrophobicContact CG2-CE1 4.25Å; V160-F205 HydrophobicContact CG2-CZ 4.38Å; L161-F205 HydrophobicContact CD1-CE2 4.15Å; L161-F205 HydrophobicContact CD2-CE2 4.05Å; L161-F205 HydrophobicContact CG-CE2 3.89Å; L161-F205 HydrophobicContact CG-CZ 4.26Å; M168-F205 HydrophobicContact CE-CD1 4.18Å; M168-F205 HydrophobicContact CE-CD2 4.26Å; M168-F205 HydrophobicContact CE-CE1 4.05Å; M168-F205 HydrophobicContact CE-CE2 4.13Å; M168-F205 HydrophobicContact CE-CG 4.28Å; M168-F205 HydrophobicContact CE-CZ 4.01Å; F190-F205 HydrophobicContact CB-CD1 4.44Å; F190-F205 AromaticContact CD1-CD1 3.55Å; F190-F205 HydrophobicContact CD1-CD1 3.55Å; F190-F205 AromaticContact CD1-CE1 3.68Å; F190-F205 HydrophobicContact CD1-CE1 3.68Å; F190-F205 HydrophobicContact CE1-CD1 4.1Å; F190-F205 AromaticContact CE1-CE1 3.9Å; F190-F205 HydrophobicContact CE1-CE1 3.9Å; F190-F205 HydrophobicContact CG-CD1 4.2Å; F190-F205 HydrophobicContact CG-CE1 4.2Å; F190-F205 WeakPolarHBondContact O-CA 3.37Å; I201-F205 HydrophobicContact CG2-CB 3.51Å; H202-F205 HydrophobicContact CB-CD2 3.88Å; H202-F205 HydrophobicContact CB-CE2 4.21Å; H202-F205 PolarHBondContact O-N 2.93Å
206W97.7Very high94.9Very high1 Ų158.5 Ų58.50%0.00431%0.306CS..EExtended strand (participates in β ladder)trans-88.3133175.4-71.256.6000108.8F169 P170 Y171 Q172 I175 P176 I189 F190 I191 S192 F243F169-W206 HydrophobicContact CD1-CZ2 4.06Å; F169-W206 HydrophobicContact CE1-CZ2 4.38Å; F169-W206 PolarHBondContact O-NE1 3.08Å; F169-W206 VanDerWaalsContact O-NE1 3.12Å; P170-W206 PolarHBondContact O-NE1 2.68Å; Y171-W206 HydrophobicContact CD2-CB 4.36Å; Y171-W206 AromaticContact CD2-CD2 3.82Å; Y171-W206 HydrophobicContact CD2-CD2 3.82Å; Y171-W206 AromaticContact CD2-CE3 3.79Å; Y171-W206 HydrophobicContact CD2-CE3 3.79Å; Y171-W206 HydrophobicContact CD2-CG 4.08Å; Y171-W206 HydrophobicContact CD2-CZ3 4.26Å; Y171-W206 HydrophobicContact CE2-CE3 4.25Å; Q172-W206 HydrophobicContact CB-CH2 4.23Å; Q172-W206 HydrophobicContact CB-CZ2 4.36Å; I175-W206 HydrophobicContact CD1-CZ3 3.83Å; P176-W206 HydrophobicContact CG-CH2 4.45Å; I189-W206 HydrophobicContact CD1-CZ2 4.43Å; I189-W206 HydrophobicContact CG2-CD2 3.76Å; I189-W206 HydrophobicContact CG2-CE3 4.35Å; I189-W206 HydrophobicContact CG2-CG 3.87Å; I189-W206 HydrophobicContact CG2-CZ2 4.48Å; F190-W206 PolarHBondContact O-N 3.1Å; I191-W206 WeakPolarHBondContact CA-O 3.34Å; I191-W206 HydrophobicContact CB-CB 4.29Å; I191-W206 HydrophobicContact CG1-CB 3.91Å; I191-W206 HydrophobicContact CG2-CB 4.36Å; S192-W206 PolarHBondContact N-O 2.68Å; S192-W206 VanDerWaalsContact N-O 3.08Å; W206-F243 HydrophobicContact CE3-CE2 4.46Å; W206-F243 HydrophobicContact CZ3-CE2 4.35Å
207P96.4Very high95.2Very high10 Ų1055.8 Ų55.87%0.06529%0.293CS..EExtended strand (participates in β ladder)trans-67.2153.4178.328.3-34.1000110.6Y171 P198 I201 S209 S210Y171-P207 VanDerWaalsContact CD2-CD 3.47Å; Y171-P207 HydrophobicContact CD2-CG 4.32Å; Y171-P207 HydrophobicContact CE2-CG 3.98Å; P198-P207 HydrophobicContact CB-CB 4.32Å; I201-P207 HydrophobicContact CD1-CB 3.92Å; P207-S209 PolarHBondContact O-N 3.15Å; P207-S209 VanDerWaalsContact O-N 3.08Å; P207-S210 WeakPolarHBondContact CD-OG 3.41Å; P207-S210 WeakPolarHBondContact CG-OG 3.37Å; P207-S210 VanDerWaalsContact O-CB 3.23Å; P207-S210 WeakPolarHBondContact O-CB 3.33Å; P207-S210 PolarHBondContact O-N 3.47Å; P207-S210 PolarHBondContact O-OG 3.1Å
208S95.3Very high95.4Very high55 Ų5555.3 Ų55.339%0.38529%0.288SS..G310 helixtrans-57.2-23176.857.20000113.7S192 S210 I211S192-S208 PolarHBondContact O-N 3.35Å; S208-S210 PolarHBondContact O-N 3.36Å; S208-I211 PolarHBondContact O-N 2.89Å
209S94.8Very high95.9Very high76 Ų7654.5 Ų54.553%0.53128%0.282SS..G310 helixtrans-65-14.117256.40000114.2P207 I211P207-S209 PolarHBondContact O-N 3.15Å; P207-S209 VanDerWaalsContact O-N 3.08Å; S209-I211 PolarHBondContact O-N 2.89Å
210S96.6Very high96.2Very high3 Ų348.8 Ų48.82%0.02126%0.262CS..G310 helixtrans-77.9-6.2176.9-44.10000113.1P207 S208 T242 F243P207-S210 WeakPolarHBondContact CD-OG 3.41Å; P207-S210 WeakPolarHBondContact CG-OG 3.37Å; P207-S210 VanDerWaalsContact O-CB 3.23Å; P207-S210 WeakPolarHBondContact O-CB 3.33Å; P207-S210 PolarHBondContact O-N 3.47Å; P207-S210 PolarHBondContact O-OG 3.1Å; S208-S210 PolarHBondContact O-N 3.36Å; S210-T242 CarbonylContact O-C 3.53Å; S210-T242 WeakPolarHBondContact O-CA 3.42Å; S210-F243 PolarHBondContact O-N 3.18Å
211I97.6Very high96.3Very high19 Ų1944.8 Ų44.810%0.09725%0.246CC..EExtended strand (participates in β ladder)trans-140.4141.4-178.2-167.2152.5000111.1Y85 I191 S208 S209 F243 V245 I294Y85-I211 HydrophobicContact CE2-CD1 3.69Å; I191-I211 HydrophobicContact CD1-CB 4Å; I191-I211 HydrophobicContact CD1-CD1 3.8Å; I191-I211 HydrophobicContact CD1-CG2 4.33Å; I191-I211 HydrophobicContact CG2-CB 4.44Å; I191-I211 HydrophobicContact CG2-CG2 3.74Å; S208-I211 PolarHBondContact O-N 2.89Å; S209-I211 PolarHBondContact O-N 2.89Å; I211-F243 HydrophobicContact CB-CB 4.18Å; I211-F243 HydrophobicContact CD1-CB 3.89Å; I211-F243 HydrophobicContact CG1-CB 3.79Å; I211-V245 HydrophobicContact CD1-CG2 3.6Å; I211-V245 HydrophobicContact CG1-CG2 3.84Å; I211-I294 HydrophobicContact CD1-CD1 4.07Å
212K96.8Very high96.4Very high120 Ų12052.8 Ų52.852%0.52228%0.276SS..EExtended strand (participates in β ladder)trans-121.6119.2172-169.9171.3-174.6177.90109.8F214 T242 F243 S244 V245K212-F214 HydrophobicContact CD-CE1 3.68Å; K212-F214 HydrophobicContact CD-CZ 3.95Å; K212-F214 HydrophobicContact CG-CD1 4.44Å; K212-F214 HydrophobicContact CG-CE1 3.93Å; K212-F214 HydrophobicContact CG-CZ 4.22Å; K212-T242 HydrophobicContact CB-CG2 4.18Å; K212-F243 PolarHBondContact N-O 3.18Å; K212-S244 CarbonylContact O-C 3.56Å; K212-S244 WeakPolarHBondContact O-CA 3.45Å; K212-V245 PolarHBondContact O-N 3.33Å
213S96.4Very high96.5Very high36 Ų3651.8 Ų51.825%0.25228%0.28SS..EExtended strand (participates in β ladder)trans-100.5113.4-179.4-158.10000111.2W215 Q247S213-W215 PolarHBondContact O-N 3.09Å; S213-Q247 PolarHBondContact OG-NE2 3.32Å
214F96.1Very high96.5Very high21 Ų2147.3 Ų47.39%0.09225%0.25CS..EExtended strand (participates in β ladder)trans-8690.1179-59.5-60.4000109.5K212 P216 F227 H231 V245 H246 Q247K212-F214 HydrophobicContact CD-CE1 3.68Å; K212-F214 HydrophobicContact CD-CZ 3.95Å; K212-F214 HydrophobicContact CG-CD1 4.44Å; K212-F214 HydrophobicContact CG-CE1 3.93Å; K212-F214 HydrophobicContact CG-CZ 4.22Å; F214-P216 WeakPolarHBondContact O-CD 3.18Å; F214-F227 HydrophobicContact CB-CE1 3.89Å; F214-H231 HydrophobicContact CD1-CB 4.03Å; F214-H231 AromaticContact CD1-CD2 3.37Å; F214-H231 WeakPolarHBondContact CD1-CD2 3.33Å; F214-H231 AromaticContact CD1-CG 3.74Å; F214-H231 HydrophobicContact CD2-CB 4.29Å; F214-H231 HydrophobicContact CE1-CB 4.16Å; F214-H231 AromaticContact CE1-CD2 3.4Å; F214-H231 VanDerWaalsContact CE1-CD2 3.4Å; F214-H231 WeakPolarHBondContact CE1-CD2 3.4Å; F214-H231 HydrophobicContact CE2-CB 4.38Å; F214-H231 HydrophobicContact CG-CB 4.1Å; F214-H231 HydrophobicContact CZ-CB 4.33Å; F214-V245 WeakPolarHBondContact CB-O 3.47Å; F214-V245 WeakPolarHBondContact CD2-O 3.28Å; F214-V245 PolarHBondContact N-O 2.84Å; F214-H246 AromaticContact CD2-CE1 3.69Å; F214-H246 AromaticContact CD2-ND1 3.68Å; F214-H246 AromaticContact CE2-CE1 3.77Å; F214-Q247 PolarHBondContact O-N 2.83Å
215W95.2Very high96.6Very high96 Ų9646.7 Ų46.736%0.36425%0.248SC..  trans-94.5115.2179.9-176.432.6000111.4S213 E217 F227 Q247 T251S213-W215 PolarHBondContact O-N 3.09Å; W215-E217 VanDerWaalsContact C-N 3.28Å; W215-E217 HydrophobicContact CD2-CB 4.25Å; W215-E217 HydrophobicContact CH2-CG 4.2Å; W215-E217 HydrophobicContact CZ2-CG 4.23Å; W215-E217 HydrophobicContact CZ3-CG 4.34Å; W215-E217 PolarHBondContact O-N 3.06Å; W215-F227 VanDerWaalsContact O-CZ 3.3Å; W215-F227 WeakPolarHBondContact O-CZ 3.24Å; W215-Q247 VanDerWaalsContact CD1-OE1 3.3Å; W215-T251 HydrophobicContact CH2-CG2 4.41Å; W215-T251 HydrophobicContact CZ2-CG2 3.48Å; W215-T251 VanDerWaalsContact CZ2-CG2 3.48Å; W215-T251 PolarHBondContact NE1-OG1 2.77Å
216P95.5Very high96.5Very high13 Ų1349.7 Ų49.78%0.08427%0.27CS..  trans-70.6-17.5-176.4-23.435.5000115.7F214 T218 M224 F227F214-P216 WeakPolarHBondContact O-CD 3.18Å; P216-T218 HydrophobicContact CB-CG2 4.04Å; P216-T218 PolarHBondContact O-N 3.06Å; P216-M224 HydrophobicContact CB-CB 4.36Å; P216-M224 HydrophobicContact CB-CG 4.12Å; P216-M224 HydrophobicContact CG-CG 3.82Å; P216-F227 HydrophobicContact CB-CB 4.1Å; P216-F227 HydrophobicContact CB-CD1 3.84Å; P216-F227 HydrophobicContact CB-CE1 4.4Å; P216-F227 HydrophobicContact CB-CG 3.97Å; P216-F227 HydrophobicContact CG-CD1 3.66Å; P216-F227 HydrophobicContact CG-CE1 4.12Å; P216-F227 HydrophobicContact CG-CG 4.29Å
217E94.6Very high96.5Very high137 Ų13752.3 Ų52.364%0.6428%0.281SS*.  trans4553.5177.7-157.3179.5-17000114W215W215-E217 VanDerWaalsContact C-N 3.28Å; W215-E217 HydrophobicContact CD2-CB 4.25Å; W215-E217 HydrophobicContact CH2-CG 4.2Å; W215-E217 HydrophobicContact CZ2-CG 4.23Å; W215-E217 HydrophobicContact CZ3-CG 4.34Å; W215-E217 PolarHBondContact O-N 3.06Å
218T95.8Very high96.5Very high32 Ų3251.8 Ų51.820%0.19628%0.278CS..  trans-147.4154.8-175.4-171.10000112.6P216 G220 A223 M224 L250 T251P216-T218 HydrophobicContact CB-CG2 4.04Å; P216-T218 PolarHBondContact O-N 3.06Å; T218-G220 PolarHBondContact OG1-N 2.79Å; T218-G220 VanDerWaalsContact OG1-N 3.14Å; T218-A223 HydrophobicContact CG2-CB 4.03Å; T218-M224 HydrophobicContact CG2-CB 4.1Å; T218-L250 HydrophobicContact CG2-CD2 4.38Å; T218-L250 CarbonylContact O-C 3.43Å; T218-L250 VanDerWaalsContact O-CA 3.3Å; T218-L250 WeakPolarHBondContact O-CA 3.38Å; T218-L250 WeakPolarHBondContact O-CD2 3.07Å; T218-T251 PolarHBondContact O-N 2.95Å
219V94.6Very high96.5Very high58 Ų5851.8 Ų51.835%0.35227%0.274SS..SBendtrans-92.5-5.7168.5-63.20000113T251 F256V219-T251 VanDerWaalsContact CG1-O 3.23Å; V219-T251 WeakPolarHBondContact CG1-O 3.44Å; V219-F256 HydrophobicContact CB-CD2 4.4Å; V219-F256 HydrophobicContact CB-CE2 4.21Å; V219-F256 HydrophobicContact CG1-CD2 3.88Å; V219-F256 HydrophobicContact CG1-CE2 4.09Å; V219-F256 HydrophobicContact CG1-CG 4.13Å; V219-F256 HydrophobicContact CG2-CD2 4.37Å; V219-F256 HydrophobicContact CG2-CE2 4.32Å
220G96.7Very high96.5Very high24 Ų2451.9 Ų51.925%0.24727%0.268CS..  trans-95.3116.5-177.100000112.8T218 R222 A223 M224T218-G220 PolarHBondContact OG1-N 2.79Å; T218-G220 VanDerWaalsContact OG1-N 3.14Å; G220-R222 VanDerWaalsContact C-N 3.29Å; G220-R222 PolarHBondContact O-N 3.06Å; G220-A223 WeakPolarHBondContact O-CB 3.27Å; G220-A223 PolarHBondContact O-N 2.61Å; G220-A223 VanDerWaalsContact O-N 3.11Å; G220-M224 PolarHBondContact O-N 3.41Å
221P97.5Very high96.3Very high22 Ų2254.6 Ų54.614%0.14328%0.28CS..Hα-helixtrans-64.2-29.8-178.325.9-36.2000113.7M224 I225 I271 Y275P221-M224 WeakPolarHBondContact O-CB 3.34Å; P221-I225 WeakPolarHBondContact O-CG1 2.96Å; P221-I225 PolarHBondContact O-N 2.84Å; P221-I225 VanDerWaalsContact O-N 3.12Å; P221-I271 HydrophobicContact CB-CG2 4.07Å; P221-I271 HydrophobicContact CG-CG2 3.72Å; P221-Y275 HydrophobicContact CB-CD1 4.19Å; P221-Y275 HydrophobicContact CB-CD2 3.5Å; P221-Y275 VanDerWaalsContact CB-CD2 3.5Å; P221-Y275 HydrophobicContact CB-CE1 4.43Å; P221-Y275 HydrophobicContact CB-CE2 3.77Å; P221-Y275 HydrophobicContact CB-CG 3.71Å; P221-Y275 HydrophobicContact CG-CD2 4.01Å; P221-Y275 HydrophobicContact CG-CE2 3.73Å
222R98Very high95.8Very high184 Ų18454.9 Ų54.969%0.69428%0.282SS*.Hα-helixtrans-71.1-39.8174.6-60.9-176.2-153.1-87.3-0.1112G220 M224 I225 S226 Y275G220-R222 VanDerWaalsContact C-N 3.29Å; G220-R222 PolarHBondContact O-N 3.06Å; R222-M224 VanDerWaalsContact C-N 3.31Å; R222-I225 PolarHBondContact O-N 2.85Å; R222-S226 WeakPolarHBondContact O-CB 3.34Å; R222-S226 PolarHBondContact O-N 3.41Å; R222-Y275 HydrophobicContact CG-CE1 3.94Å
223A98.1Very high95.2Very high49 Ų4952.2 Ų52.241%0.40527%0.27SS..Hα-helixtrans-63.6-40.9175.200000110.4T218 G220 I225 S226 F227T218-A223 HydrophobicContact CG2-CB 4.03Å; G220-A223 WeakPolarHBondContact O-CB 3.27Å; G220-A223 PolarHBondContact O-N 2.61Å; G220-A223 VanDerWaalsContact O-N 3.11Å; A223-I225 PolarHBondContact O-N 3.02Å; A223-S226 PolarHBondContact O-N 3.25Å; A223-F227 WeakPolarHBondContact O-CB 3.46Å; A223-F227 PolarHBondContact O-N 3.26Å
224M98.2Very high94.4Very high0 Ų055.5 Ų55.50%029%0.291CS..Hα-helixtrans-54.2-52.2172.2-172.5-167.67500111.6P216 T218 G220 P221 R222 S226 F227 L228 G248 L250 A272 Y276P216-M224 HydrophobicContact CB-CB 4.36Å; P216-M224 HydrophobicContact CB-CG 4.12Å; P216-M224 HydrophobicContact CG-CG 3.82Å; T218-M224 HydrophobicContact CG2-CB 4.1Å; G220-M224 PolarHBondContact O-N 3.41Å; P221-M224 WeakPolarHBondContact O-CB 3.34Å; R222-M224 VanDerWaalsContact C-N 3.31Å; M224-S226 PolarHBondContact O-N 2.84Å; M224-F227 PolarHBondContact O-N 2.79Å; M224-L228 HydrophobicContact CG-CD1 4.44Å; M224-L228 WeakPolarHBondContact O-CG 3.23Å; M224-L228 PolarHBondContact O-N 3.12Å; M224-G248 VanDerWaalsContact SD-C 3.51Å; M224-L250 HydrophobicContact CB-CD2 4.15Å; M224-L250 HydrophobicContact SD-CD2 4.05Å; M224-L250 HydrophobicContact SD-CG 4.49Å; M224-A272 HydrophobicContact CE-CB 4.5Å; M224-A272 WeakPolarHBondContact CE-O 3.38Å; M224-A272 HydrophobicContact SD-CB 4.14Å; M224-Y276 HydrophobicContact CE-CD2 4.4Å
225I97.9Very high93.6Very high22 Ų2260.9 Ų60.911%0.11332%0.316CS..Hα-helixtrans-64.7-40.1177.9-64-48.9000112.5P221 R222 A223 F227 L228 N229 Y275 W279P221-I225 WeakPolarHBondContact O-CG1 2.96Å; P221-I225 PolarHBondContact O-N 2.84Å; P221-I225 VanDerWaalsContact O-N 3.12Å; R222-I225 PolarHBondContact O-N 2.85Å; A223-I225 PolarHBondContact O-N 3.02Å; I225-F227 VanDerWaalsContact C-N 3.32Å; I225-F227 PolarHBondContact O-N 2.93Å; I225-L228 HydrophobicContact CD1-CD1 4.16Å; I225-L228 PolarHBondContact O-N 3.18Å; I225-N229 VanDerWaalsContact O-CG 3.27Å; I225-N229 PolarHBondContact O-N 3.43Å; I225-N229 PolarHBondContact O-ND2 3.32Å; I225-N229 VanDerWaalsContact O-ND2 3.13Å; I225-Y275 HydrophobicContact CG1-CD1 4.42Å; I225-W279 HydrophobicContact CD1-CB 3.64Å; I225-W279 HydrophobicContact CD1-CG 3.97Å
226S97.5Very high93.1Very high65 Ų6560.1 Ų60.146%0.45532%0.319SS..Hα-helixtrans-61.6-42176.7-169.20000111.6R222 A223 M224 N230R222-S226 WeakPolarHBondContact O-CB 3.34Å; R222-S226 PolarHBondContact O-N 3.41Å; A223-S226 PolarHBondContact O-N 3.25Å; M224-S226 PolarHBondContact O-N 2.84Å; S226-N230 PolarHBondContact O-N 3.34Å; S226-N230 VanDerWaalsContact O-N 3.12Å; S226-N230 PolarHBondContact O-ND2 2.86Å
227F97.4Very high92.7Very high56 Ų5665.5 Ų65.525%0.24634%0.342CS..Hα-helixtrans-62.2-46.5176.3178.5-86.5000111.4F214 W215 P216 A223 M224 I225 N230 H231F214-F227 HydrophobicContact CB-CE1 3.89Å; W215-F227 VanDerWaalsContact O-CZ 3.3Å; W215-F227 WeakPolarHBondContact O-CZ 3.24Å; P216-F227 HydrophobicContact CB-CB 4.1Å; P216-F227 HydrophobicContact CB-CD1 3.84Å; P216-F227 HydrophobicContact CB-CE1 4.4Å; P216-F227 HydrophobicContact CB-CG 3.97Å; P216-F227 HydrophobicContact CG-CD1 3.66Å; P216-F227 HydrophobicContact CG-CE1 4.12Å; P216-F227 HydrophobicContact CG-CG 4.29Å; A223-F227 WeakPolarHBondContact O-CB 3.46Å; A223-F227 PolarHBondContact O-N 3.26Å; M224-F227 PolarHBondContact O-N 2.79Å; I225-F227 VanDerWaalsContact C-N 3.32Å; I225-F227 PolarHBondContact O-N 2.93Å; F227-N230 WeakPolarHBondContact O-CB 3.43Å; F227-N230 PolarHBondContact O-N 3.24Å; F227-N230 VanDerWaalsContact O-N 3.09Å; F227-H231 AromaticContact CD1-ND1 3.85Å; F227-H231 AromaticContact CD2-CE1 3.86Å; F227-H231 AromaticContact CE1-CE1 3.79Å; F227-H231 AromaticContact CE1-ND1 3.71Å; F227-H231 AromaticContact CE2-CE1 3.42Å; F227-H231 VanDerWaalsContact CE2-CE1 3.42Å; F227-H231 WeakPolarHBondContact CE2-CE1 3.45Å; F227-H231 AromaticContact CZ-CE1 3.38Å; F227-H231 WeakPolarHBondContact CZ-CE1 3.48Å; F227-H231 AromaticContact CZ-ND1 3.8Å; F227-H231 PolarHBondContact O-N 2.83Å; F227-H231 PolarHBondContact O-ND1 3.31Å
228L96.5Very high92.7Very high0 Ų059.8 Ų59.80%032%0.315CS..Hα-helixtrans-62.2-45178.5-68.7169.3000112.1M224 I225 N230 H231 I232 H246 Y276 W279M224-L228 HydrophobicContact CG-CD1 4.44Å; M224-L228 WeakPolarHBondContact O-CG 3.23Å; M224-L228 PolarHBondContact O-N 3.12Å; I225-L228 HydrophobicContact CD1-CD1 4.16Å; I225-L228 PolarHBondContact O-N 3.18Å; L228-N230 PolarHBondContact O-N 3.3Å; L228-H231 PolarHBondContact O-N 3.22Å; L228-I232 PolarHBondContact O-N 2.85Å; L228-H246 HydrophobicContact CD2-CB 4.04Å; L228-Y276 HydrophobicContact CD1-CD2 3.64Å; L228-Y276 HydrophobicContact CD1-CE2 3.53Å; L228-W279 HydrophobicContact CB-CH2 4.41Å; L228-W279 HydrophobicContact CB-CZ2 3.82Å; L228-W279 HydrophobicContact CD1-CD2 4.42Å; L228-W279 HydrophobicContact CD1-CE3 4.42Å; L228-W279 HydrophobicContact CD1-CZ3 4.48Å
229N94.8Very high92.5Very high55 Ų5561.6 Ų61.629%0.29433%0.327SS..Hα-helixtrans-62.1-26.5175.2-67.7-33.1000112.6I225 H231 K233 W279I225-N229 VanDerWaalsContact O-CG 3.27Å; I225-N229 PolarHBondContact O-N 3.43Å; I225-N229 PolarHBondContact O-ND2 3.32Å; I225-N229 VanDerWaalsContact O-ND2 3.13Å; N229-H231 VanDerWaalsContact C-N 3.26Å; N229-H231 PolarHBondContact O-N 3.22Å; N229-K233 WeakPolarHBondContact O-CE 3.41Å; N229-W279 VanDerWaalsContact OD1-CD1 3.32Å; N229-W279 PolarHBondContact OD1-NE1 3.32Å
230N94.6Very high92.4Very high77 Ų7764.8 Ų64.841%0.41234%0.342SS..Hα-helixtrans-75.9-14.8176.7-80.3-29.2000113.9S226 F227 L228 K233 L236S226-N230 PolarHBondContact O-N 3.34Å; S226-N230 VanDerWaalsContact O-N 3.12Å; S226-N230 PolarHBondContact O-ND2 2.86Å; F227-N230 WeakPolarHBondContact O-CB 3.43Å; F227-N230 PolarHBondContact O-N 3.24Å; F227-N230 VanDerWaalsContact O-N 3.09Å; L228-N230 PolarHBondContact O-N 3.3Å; N230-K233 PolarHBondContact OD1-NZ 2.95Å; N230-L236 VanDerWaalsContact O-CD1 3.28Å; N230-L236 WeakPolarHBondContact O-CD1 3.49Å
231H92Very high92.4Very high60 Ų6066.8 Ų66.828%0.27835%0.347SS..Hα-helixtrans-112.11.6-179.3-67.890000113.9F214 F227 L228 N229F214-H231 HydrophobicContact CD1-CB 4.03Å; F214-H231 AromaticContact CD1-CD2 3.37Å; F214-H231 WeakPolarHBondContact CD1-CD2 3.33Å; F214-H231 AromaticContact CD1-CG 3.74Å; F214-H231 HydrophobicContact CD2-CB 4.29Å; F214-H231 HydrophobicContact CE1-CB 4.16Å; F214-H231 AromaticContact CE1-CD2 3.4Å; F214-H231 VanDerWaalsContact CE1-CD2 3.4Å; F214-H231 WeakPolarHBondContact CE1-CD2 3.4Å; F214-H231 HydrophobicContact CE2-CB 4.38Å; F214-H231 HydrophobicContact CG-CB 4.1Å; F214-H231 HydrophobicContact CZ-CB 4.33Å; F227-H231 AromaticContact CD1-ND1 3.85Å; F227-H231 AromaticContact CD2-CE1 3.86Å; F227-H231 AromaticContact CE1-CE1 3.79Å; F227-H231 AromaticContact CE1-ND1 3.71Å; F227-H231 AromaticContact CE2-CE1 3.42Å; F227-H231 VanDerWaalsContact CE2-CE1 3.42Å; F227-H231 WeakPolarHBondContact CE2-CE1 3.45Å; F227-H231 AromaticContact CZ-CE1 3.38Å; F227-H231 WeakPolarHBondContact CZ-CE1 3.48Å; F227-H231 AromaticContact CZ-ND1 3.8Å; F227-H231 PolarHBondContact O-N 2.83Å; F227-H231 PolarHBondContact O-ND1 3.31Å; L228-H231 PolarHBondContact O-N 3.22Å; N229-H231 VanDerWaalsContact C-N 3.26Å; N229-H231 PolarHBondContact O-N 3.22Å
232I88.6Confident92.3Very high25 Ų2566.5 Ų66.513%0.12835%0.345CS..SBendtrans-125.790.8172.6-54.7-165.1000107.4L228 H246 W279 D290 I292L228-I232 PolarHBondContact O-N 2.85Å; I232-H246 VanDerWaalsContact CD1-CE1 3.4Å; I232-H246 WeakPolarHBondContact CD1-CE1 3.21Å; I232-H246 WeakPolarHBondContact CD1-ND1 3.49Å; I232-H246 VanDerWaalsContact CG1-CE1 3.45Å; I232-H246 WeakPolarHBondContact CG1-CE1 3.22Å; I232-W279 HydrophobicContact CD1-CH2 3.5Å; I232-W279 HydrophobicContact CD1-CZ2 3.45Å; I232-W279 VanDerWaalsContact CD1-CZ2 3.45Å; I232-W279 HydrophobicContact CG1-CZ2 4.32Å; I232-D290 WeakPolarHBondContact CG2-O 3.28Å; I232-I292 HydrophobicContact CD1-CB 4.43Å; I232-I292 HydrophobicContact CD1-CD1 4.47Å; I232-I292 HydrophobicContact CD1-CG1 3.43Å; I232-I292 VanDerWaalsContact CD1-CG1 3.43Å
233K84.1Confident92.3Very high64 Ų6457.8 Ų57.828%0.27831%0.312SS..  trans-136.1148.9-179.5-65.4-176.9175.7160.50110.1N229 N230 H235 L236N229-K233 WeakPolarHBondContact O-CE 3.41Å; N230-K233 PolarHBondContact OD1-NZ 2.95Å; K233-H235 PolarHBondContact O-N 3.32Å; K233-L236 HydrophobicContact CB-CB 4.32Å; K233-L236 HydrophobicContact CB-CD1 3.94Å; K233-L236 HydrophobicContact CB-CG 4.05Å; K233-L236 HydrophobicContact CD-CD1 4.08Å; K233-L236 HydrophobicContact CG-CD1 4.11Å; K233-L236 PolarHBondContact O-N 3.05Å
234P78.5Confident92.3Very high106 Ų10655.7 Ų55.769%0.68830%0.295SS*.THydrogen-bonded Turntrans-57.5-17179.4-26.834.8000116.2H237P234-H237 PolarHBondContact O-CE1 3.4Å
235H79.6Confident92.3Very high133 Ų13355.7 Ų55.762%0.61630%0.295SS*.THydrogen-bonded Turntrans-106.34.8178.956.4-93.9000112.9K233K233-H235 PolarHBondContact O-N 3.32Å
236L84Confident92.3Very high81 Ų8154.7 Ų54.742%0.42429%0.29SS..  trans-109.259.5177.8-67.7177.8000109N230 K233 R238N230-L236 VanDerWaalsContact O-CD1 3.28Å; N230-L236 WeakPolarHBondContact O-CD1 3.49Å; K233-L236 HydrophobicContact CB-CB 4.32Å; K233-L236 HydrophobicContact CB-CD1 3.94Å; K233-L236 HydrophobicContact CB-CG 4.05Å; K233-L236 HydrophobicContact CD-CD1 4.08Å; K233-L236 HydrophobicContact CG-CD1 4.11Å; K233-L236 PolarHBondContact O-N 3.05Å; L236-R238 PolarHBondContact O-N 3.02Å
237H88.5Confident92.3Very high125 Ų12552 Ų5258%0.57927%0.27SS*.PPolyproline II helixtrans-54.9124.1177.8-66.8-46.4000110.4P234 D290P234-H237 PolarHBondContact O-CE1 3.4Å; H237-D290 WeakPolarHBondContact CA-OD1 3.23Å; H237-D290 IonicContact CE1-OD1 2.82Å; H237-D290 PolarHBondContact CE1-OD1 3.26Å; H237-D290 VanDerWaalsContact CE1-OD1 3.32Å; H237-D290 IonicContact CE1-OD2 3.15Å; H237-D290 PolarHBondContact CE1-OD2 3.02Å; H237-D290 IonicContact CG-OD1 3.8Å; H237-D290 PolarHBondContact N-OD1 2.67Å; H237-D290 IonicContact ND1-OD1 3.69Å; H237-D290 PolarHBondContact ND1-OD1 2.89Å; H237-D290 IonicContact ND1-OD2 3.98Å; H237-D290 PolarHBondContact ND1-OD2 3.06Å; H237-D290 VanDerWaalsContact ND1-OD2 3.15Å
238R93.2Very high92.3Very high18 Ų1849.3 Ų49.37%0.06826%0.258CS..PPolyproline II helixtrans-62.2131.8169.8-178.3-176.7-63.6113.113.5109N21 L236 T242 S244 G288 P289 G291 N293N21-R238 WeakPolarHBondContact O-CD 3.33Å; N21-R238 PolarHBondContact O-NH1 2.95Å; L236-R238 PolarHBondContact O-N 3.02Å; R238-T242 WeakPolarHBondContact CD-O 3.48Å; R238-T242 WeakPolarHBondContact CG-O 3.46Å; R238-S244 WeakPolarHBondContact CD-OG 3.33Å; R238-S244 VanDerWaalsContact NE-CB 3.3Å; R238-S244 PolarHBondContact NE-OG 3.24Å; R238-G288 PolarHBondContact NH1-O 3.39Å; R238-P289 VanDerWaalsContact CB-O 3.23Å; R238-P289 WeakPolarHBondContact CB-O 2.99Å; R238-P289 PolarHBondContact N-O 3.37Å; R238-G291 PolarHBondContact NH2-O 3Å; R238-N293 VanDerWaalsContact CZ-CB 3.4Å
239P93.1Very high92.4Very high70 Ų7049.3 Ų49.346%0.45526%0.258SS..PPolyproline II helixtrans-58.3139.8171.1-23.633.9000111.9N21 N241 T242N21-P239 PolarHBondContact ND2-O 2.77Å; P239-N241 VanDerWaalsContact CB-OD1 3.24Å; P239-N241 WeakPolarHBondContact CB-OD1 3.3Å; P239-N241 PolarHBondContact O-N 3.01Å; P239-T242 PolarHBondContact O-N 2.87Å
240D91.8Very high92.5Very high124 Ų12446.9 Ų46.966%0.66325%0.245SC*.THydrogen-bonded Turntrans-60-20.5-177.3-63.9-25.3000113.7N21 I175N21-D240 PolarHBondContact ND2-O 3.12Å; I175-D240 VanDerWaalsContact CG1-O 3.27Å; I175-D240 WeakPolarHBondContact CG1-O 3.3Å
241N95.8Very high92.4Very high66 Ų6644.8 Ų44.835%0.35324%0.235SC..THydrogen-bonded Turntrans-101.711.1-17866.4-28.5000114.1K173 P239K173-N241 WeakPolarHBondContact O-CB 3.23Å; P239-N241 VanDerWaalsContact CB-OD1 3.24Å; P239-N241 WeakPolarHBondContact CB-OD1 3.3Å; P239-N241 PolarHBondContact O-N 3.01Å
242T96.9Very high92.4Very high17 Ų1743.1 Ų43.110%0.10423%0.229CC..  trans-132.9133.8-172.3-56.10000111.3N21 S210 K212 R238 P239N21-T242 WeakPolarHBondContact CB-O 3.35Å; N21-T242 PolarHBondContact ND2-O 3.08Å; S210-T242 CarbonylContact O-C 3.53Å; S210-T242 WeakPolarHBondContact O-CA 3.42Å; K212-T242 HydrophobicContact CB-CG2 4.18Å; R238-T242 WeakPolarHBondContact CD-O 3.48Å; R238-T242 WeakPolarHBondContact CG-O 3.46Å; P239-T242 PolarHBondContact O-N 2.87Å
243F98.1Very high92.3Very high0 Ų044.6 Ų44.60%024%0.242CC..EExtended strand (participates in β ladder)trans-77.6155.6164.5-69-73.4000111.1L20 N21 I138 I175 I189 I191 W206 S210 I211 K212 I294L20-F243 HydrophobicContact CB-CE1 3.67Å; L20-F243 HydrophobicContact CB-CZ 4.13Å; N21-F243 HydrophobicContact CB-CD1 4.01Å; N21-F243 HydrophobicContact CB-CE1 4.37Å; I138-F243 HydrophobicContact CD1-CD1 4.13Å; I138-F243 HydrophobicContact CD1-CE1 3.71Å; I138-F243 HydrophobicContact CD1-CZ 3.98Å; I175-F243 HydrophobicContact CD1-CD1 4.37Å; I175-F243 HydrophobicContact CD1-CD2 3.56Å; I175-F243 HydrophobicContact CD1-CE1 4.18Å; I175-F243 HydrophobicContact CD1-CE2 3.34Å; I175-F243 HydrophobicContact CD1-CG 4.09Å; I175-F243 HydrophobicContact CD1-CZ 3.68Å; I175-F243 HydrophobicContact CG2-CD1 4.48Å; I175-F243 HydrophobicContact CG2-CE1 3.67Å; I175-F243 HydrophobicContact CG2-CE2 4.34Å; I175-F243 HydrophobicContact CG2-CZ 3.59Å; I189-F243 HydrophobicContact CD1-CE2 4.42Å; I189-F243 HydrophobicContact CD1-CZ 3.93Å; I189-F243 HydrophobicContact CG2-CE2 4.22Å; I191-F243 HydrophobicContact CD1-CD2 3.78Å; I191-F243 HydrophobicContact CD1-CE2 4.15Å; W206-F243 HydrophobicContact CE3-CE2 4.46Å; W206-F243 HydrophobicContact CZ3-CE2 4.35Å; S210-F243 PolarHBondContact O-N 3.18Å; I211-F243 HydrophobicContact CB-CB 4.18Å; I211-F243 HydrophobicContact CD1-CB 3.89Å; I211-F243 HydrophobicContact CG1-CB 3.79Å; K212-F243 PolarHBondContact N-O 3.18Å; F243-I294 HydrophobicContact CB-CD1 3.91Å; F243-I294 HydrophobicContact CD1-CD1 4.01Å; F243-I294 HydrophobicContact CG-CD1 4.16Å
244S97.3Very high92.2Very high6 Ų645 Ų454%0.04225%0.247CC..EExtended strand (participates in β ladder)trans-129.4130.9172.5-58.20000111.8K212 R238 N293 I294K212-S244 CarbonylContact O-C 3.56Å; K212-S244 WeakPolarHBondContact O-CA 3.45Å; R238-S244 WeakPolarHBondContact CD-OG 3.33Å; R238-S244 VanDerWaalsContact NE-CB 3.3Å; R238-S244 PolarHBondContact NE-OG 3.24Å; S244-N293 PolarHBondContact N-OD1 3.37Å; S244-N293 WeakPolarHBondContact O-CB 3.47Å; S244-N293 PolarHBondContact O-OD1 2.51Å; S244-I294 WeakPolarHBondContact O-CA 3.39Å; S244-I294 WeakPolarHBondContact O-CB 3.39Å; S244-I294 PolarHBondContact O-N 3.34Å
245V98.2Very high92.5Very high0 Ų043.4 Ų43.40%024%0.239CC..EExtended strand (participates in β ladder)trans-107.2124.3177.1-170.30000109.3Y85 I211 K212 F214 Q247 I294 L296Y85-V245 HydrophobicContact CE1-CG1 4.36Å; Y85-V245 HydrophobicContact CE2-CG2 4.08Å; I211-V245 HydrophobicContact CD1-CG2 3.6Å; I211-V245 HydrophobicContact CG1-CG2 3.84Å; K212-V245 PolarHBondContact O-N 3.33Å; F214-V245 WeakPolarHBondContact CB-O 3.47Å; F214-V245 WeakPolarHBondContact CD2-O 3.28Å; F214-V245 PolarHBondContact N-O 2.84Å; V245-Q247 HydrophobicContact CG1-CG 4.2Å; V245-I294 CarbonylContact C-O 3.53Å; V245-I294 WeakPolarHBondContact CA-O 3.22Å; V245-I294 HydrophobicContact CB-CB 4.44Å; V245-I294 HydrophobicContact CB-CG2 4.44Å; V245-I294 HydrophobicContact CG1-CB 4.49Å; V245-I294 HydrophobicContact CG1-CG2 4.04Å; V245-I294 HydrophobicContact CG2-CB 4.09Å; V245-I294 HydrophobicContact CG2-CD1 4.21Å; V245-I294 HydrophobicContact CG2-CG2 4.1Å; V245-L296 HydrophobicContact CG1-CB 3.84Å; V245-L296 HydrophobicContact CG1-CD1 4.35Å
246H97.8Very high92.9Very high1 Ų139.3 Ų39.31%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-107.4105.5179.8-58.9-85.9000108.5F214 L228 I232 Y276 W279 I294 L296F214-H246 AromaticContact CD2-CE1 3.69Å; F214-H246 AromaticContact CD2-ND1 3.68Å; F214-H246 AromaticContact CE2-CE1 3.77Å; L228-H246 HydrophobicContact CD2-CB 4.04Å; I232-H246 VanDerWaalsContact CD1-CE1 3.4Å; I232-H246 WeakPolarHBondContact CD1-CE1 3.21Å; I232-H246 WeakPolarHBondContact CD1-ND1 3.49Å; I232-H246 VanDerWaalsContact CG1-CE1 3.45Å; I232-H246 WeakPolarHBondContact CG1-CE1 3.22Å; H246-Y276 PolarHBondContact O-OH 3.27Å; H246-W279 HydrophobicContact CB-CH2 4.28Å; H246-I294 PolarHBondContact CD2-O 3.44Å; H246-I294 PolarHBondContact N-O 3.49Å; H246-L296 PolarHBondContact O-N 2.88Å
247Q97.9Very high93.1Very high8 Ų836.2 Ų36.24%0.03720%0.203CC..EExtended strand (participates in β ladder)trans-90.9122.8-170.8-49.8-170.319.100113.2S213 F214 W215 V245 V249 L296S213-Q247 PolarHBondContact OG-NE2 3.32Å; F214-Q247 PolarHBondContact O-N 2.83Å; W215-Q247 VanDerWaalsContact CD1-OE1 3.3Å; V245-Q247 HydrophobicContact CG1-CG 4.2Å; Q247-V249 VanDerWaalsContact C-N 3.31Å; Q247-V249 HydrophobicContact CB-CG2 4.02Å; Q247-V249 PolarHBondContact O-N 2.89Å; Q247-L296 HydrophobicContact CB-CD2 4.11Å; Q247-L296 HydrophobicContact CG-CB 4.28Å; Q247-L296 HydrophobicContact CG-CD2 3.64Å
248G97.8Very high92.8Very high0 Ų035.2 Ų35.20%020%0.201CC..  trans-93.239.1172.900000113.3M224 A272 L296M224-G248 VanDerWaalsContact SD-C 3.51Å; G248-A272 WeakPolarHBondContact O-CB 3.36Å; G248-L296 PolarHBondContact N-O 3.12Å
249V97.6Very high92.5Very high0 Ų040.8 Ų40.80%023%0.232CC..  trans-113.4151.5-175.2-55.70000111.4H29 Q247 L296H29-V249 HydrophobicContact CB-CG1 3.91Å; Q247-V249 VanDerWaalsContact C-N 3.31Å; Q247-V249 HydrophobicContact CB-CG2 4.02Å; Q247-V249 PolarHBondContact O-N 2.89Å; V249-L296 HydrophobicContact CG1-CD2 4.48Å
250L97.2Very high92.3Very high4 Ų441.3 Ų41.32%0.02123%0.228CC..  trans-106.5135.2169.5-66.8176.9000109.3T218 M224 P252 L268 I271 A272T218-L250 HydrophobicContact CG2-CD2 4.38Å; T218-L250 CarbonylContact O-C 3.43Å; T218-L250 VanDerWaalsContact O-CA 3.3Å; T218-L250 WeakPolarHBondContact O-CA 3.38Å; T218-L250 WeakPolarHBondContact O-CD2 3.07Å; M224-L250 HydrophobicContact CB-CD2 4.15Å; M224-L250 HydrophobicContact SD-CD2 4.05Å; M224-L250 HydrophobicContact SD-CG 4.49Å; L250-P252 WeakPolarHBondContact O-CD 3.29Å; L250-L268 HydrophobicContact CB-CB 4.2Å; L250-L268 HydrophobicContact CD1-CD2 4.44Å; L250-I271 HydrophobicContact CD1-CB 4.31Å; L250-I271 HydrophobicContact CD1-CG2 4.16Å; L250-A272 HydrophobicContact CB-CB 4.44Å; L250-A272 HydrophobicContact CD1-CB 3.98Å; L250-A272 HydrophobicContact CG-CB 3.67Å
251T93.4Very high91.7Very high33 Ų3339.8 Ų39.820%0.20222%0.224CC..  trans-110.4103.7-172.7-58.80000109.9W215 T218 V219W215-T251 HydrophobicContact CH2-CG2 4.41Å; W215-T251 HydrophobicContact CZ2-CG2 3.48Å; W215-T251 VanDerWaalsContact CZ2-CG2 3.48Å; W215-T251 PolarHBondContact NE1-OG1 2.77Å; T218-T251 PolarHBondContact O-N 2.95Å; V219-T251 VanDerWaalsContact CG1-O 3.23Å; V219-T251 WeakPolarHBondContact CG1-O 3.44Å
252P91Very high91.3Very high24 Ų2446.3 Ų46.316%0.15625%0.25CS..  trans-71.1130.8173.430.7-32.9000109.9W67 L250 F256 I257 L268W67-P252 HydrophobicContact CE3-CB 4.26Å; W67-P252 HydrophobicContact CE3-CG 3.8Å; W67-P252 HydrophobicContact CZ3-CB 3.89Å; W67-P252 HydrophobicContact CZ3-CG 3.82Å; L250-P252 WeakPolarHBondContact O-CD 3.29Å; P252-F256 HydrophobicContact CB-CB 4.2Å; P252-F256 HydrophobicContact CB-CD1 3.48Å; P252-F256 VanDerWaalsContact CB-CD1 3.48Å; P252-F256 HydrophobicContact CB-CE1 4.18Å; P252-F256 HydrophobicContact CB-CG 4.09Å; P252-I257 HydrophobicContact CB-CG1 3.99Å; P252-I257 HydrophobicContact CG-CD1 4.38Å; P252-I257 HydrophobicContact CG-CG1 4.24Å; P252-L268 HydrophobicContact CB-CD1 3.88Å; P252-L268 HydrophobicContact CG-CD1 3.82Å
253S86.7Confident91Very high56 Ų5646.4 Ų46.439%0.39225%0.254SS..  trans-70.9165.7168.365.50000110.9S255 F256 I257S253-S255 VanDerWaalsContact C-N 3.27Å; S253-S255 PolarHBondContact O-N 2.81Å; S253-S255 PolarHBondContact OG-OG 3.03Å; S253-F256 WeakPolarHBondContact O-CB 3.24Å; S253-F256 PolarHBondContact O-N 3.1Å; S253-F256 WeakPolarHBondContact OG-CB 3.37Å; S253-F256 PolarHBondContact OG-N 3.48Å; S253-F256 VanDerWaalsContact OG-N 3.08Å; S253-I257 WeakPolarHBondContact O-CG1 3.18Å; S253-I257 PolarHBondContact O-N 2.8Å
254L81.9Confident90.8Very high72 Ų7247.7 Ų47.738%0.37726%0.263SS..Hα-helixtrans-52.1-47.2170.6174.254000112.1I48 F256 I257 L258I48-L254 HydrophobicContact CD1-CD1 3.54Å; I48-L254 HydrophobicContact CG1-CD1 3.17Å; I48-L254 HydrophobicContact CG1-CG 4.48Å; L254-F256 VanDerWaalsContact C-N 3.29Å; L254-F256 PolarHBondContact O-N 2.72Å; L254-I257 PolarHBondContact O-N 3.01Å; L254-L258 HydrophobicContact CD1-CD1 4.02Å; L254-L258 HydrophobicContact CD1-CG 4.08Å; L254-L258 HydrophobicContact CG-CD1 4.16Å; L254-L258 WeakPolarHBondContact O-CG 3.16Å; L254-L258 PolarHBondContact O-N 3.07Å
255S84.6Confident90.7Very high74 Ų7447.7 Ų47.752%0.51726%0.263SS..Hα-helixtrans-61.1-39.7177.653.30000112S253 L258 L259S253-S255 VanDerWaalsContact C-N 3.27Å; S253-S255 PolarHBondContact O-N 2.81Å; S253-S255 PolarHBondContact OG-OG 3.03Å; S255-L258 PolarHBondContact O-N 3.39Å; S255-L259 WeakPolarHBondContact O-CB 3.47Å; S255-L259 VanDerWaalsContact O-CG 3.29Å; S255-L259 WeakPolarHBondContact O-CG 3.48Å; S255-L259 PolarHBondContact O-N 3.21Å; S255-L259 VanDerWaalsContact O-N 3.09Å
256F89Confident90.6Very high46 Ų4650.6 Ų50.620%0.20228%0.276CS..Hα-helixtrans-61.9-46.4175.9-171.1-84.5000111.4W67 V219 P252 S253 L254 L258 L259 H260 L268W67-F256 HydrophobicContact CH2-CD1 4.07Å; W67-F256 AromaticContact CH2-CE1 3.89Å; W67-F256 HydrophobicContact CH2-CE1 3.89Å; W67-F256 HydrophobicContact CZ3-CD1 4.37Å; W67-F256 HydrophobicContact CZ3-CE1 4.29Å; V219-F256 HydrophobicContact CB-CD2 4.4Å; V219-F256 HydrophobicContact CB-CE2 4.21Å; V219-F256 HydrophobicContact CG1-CD2 3.88Å; V219-F256 HydrophobicContact CG1-CE2 4.09Å; V219-F256 HydrophobicContact CG1-CG 4.13Å; V219-F256 HydrophobicContact CG2-CD2 4.37Å; V219-F256 HydrophobicContact CG2-CE2 4.32Å; P252-F256 HydrophobicContact CB-CB 4.2Å; P252-F256 HydrophobicContact CB-CD1 3.48Å; P252-F256 VanDerWaalsContact CB-CD1 3.48Å; P252-F256 HydrophobicContact CB-CE1 4.18Å; P252-F256 HydrophobicContact CB-CG 4.09Å; S253-F256 WeakPolarHBondContact O-CB 3.24Å; S253-F256 PolarHBondContact O-N 3.1Å; S253-F256 WeakPolarHBondContact OG-CB 3.37Å; S253-F256 PolarHBondContact OG-N 3.48Å; S253-F256 VanDerWaalsContact OG-N 3.08Å; L254-F256 VanDerWaalsContact C-N 3.29Å; L254-F256 PolarHBondContact O-N 2.72Å; F256-L258 PolarHBondContact O-N 3.43Å; F256-L259 PolarHBondContact O-N 3.48Å; F256-H260 AromaticContact CD1-ND1 3.71Å; F256-H260 AromaticContact CD2-CE1 3.75Å; F256-H260 AromaticContact CD2-ND1 3.99Å; F256-H260 AromaticContact CE1-CE1 3.96Å; F256-H260 AromaticContact CE1-ND1 3.67Å; F256-H260 AromaticContact CE2-CE1 3.46Å; F256-H260 VanDerWaalsContact CE2-CE1 3.46Å; F256-H260 WeakPolarHBondContact CE2-CE1 3.28Å; F256-H260 AromaticContact CE2-ND1 3.95Å; F256-H260 AromaticContact CG-ND1 3.87Å; F256-H260 AromaticContact CZ-CE1 3.58Å; F256-H260 AromaticContact CZ-ND1 3.79Å; F256-H260 AromaticContact CZ-NE2 3.91Å; F256-H260 PolarHBondContact O-N 3.08Å; F256-H260 PolarHBondContact O-ND1 3.22Å; F256-L268 HydrophobicContact CE1-CD1 4.3Å; F256-L268 HydrophobicContact CE1-CD2 4.3Å; F256-L268 HydrophobicContact CZ-CD2 4.24Å
257I86.3Confident90.5Very high16 Ų1655.8 Ų55.88%0.08230%0.301CS..Hα-helixtrans-58.3-48.4178.1-68.3172000110.7I48 W67 P252 S253 L254 L259 H260I48-I257 HydrophobicContact CD1-CD1 4.05Å; I48-I257 HydrophobicContact CD1-CG2 4.12Å; W67-I257 HydrophobicContact CB-CD1 4.28Å; W67-I257 HydrophobicContact CD2-CB 4.47Å; W67-I257 HydrophobicContact CD2-CD1 4.4Å; W67-I257 HydrophobicContact CD2-CG1 3.83Å; W67-I257 HydrophobicContact CD2-CG2 4.21Å; W67-I257 HydrophobicContact CE3-CG1 3.96Å; W67-I257 HydrophobicContact CG-CD1 4.3Å; W67-I257 HydrophobicContact CG-CG1 4.13Å; W67-I257 HydrophobicContact CG-CG2 4Å; W67-I257 HydrophobicContact CZ3-CG1 4.4Å; P252-I257 HydrophobicContact CB-CG1 3.99Å; P252-I257 HydrophobicContact CG-CD1 4.38Å; P252-I257 HydrophobicContact CG-CG1 4.24Å; S253-I257 WeakPolarHBondContact O-CG1 3.18Å; S253-I257 PolarHBondContact O-N 2.8Å; L254-I257 PolarHBondContact O-N 3.01Å; I257-L259 VanDerWaalsContact C-N 3.27Å; I257-L259 PolarHBondContact O-N 2.88Å; I257-H260 CarbonylContact O-C 3.54Å; I257-H260 PolarHBondContact O-N 3.23Å; I257-H260 VanDerWaalsContact O-N 3.08Å
258L82.4Confident90.4Very high105 Ų10555.9 Ų55.955%0.5530%0.301SS..Hα-helixtrans-63.8-31.5-178.9-67.8174.4000113L254 S255 F256 H260L254-L258 HydrophobicContact CD1-CD1 4.02Å; L254-L258 HydrophobicContact CD1-CG 4.08Å; L254-L258 HydrophobicContact CG-CD1 4.16Å; L254-L258 WeakPolarHBondContact O-CG 3.16Å; L254-L258 PolarHBondContact O-N 3.07Å; S255-L258 PolarHBondContact O-N 3.39Å; F256-L258 PolarHBondContact O-N 3.43Å; L258-H260 VanDerWaalsContact C-N 3.33Å
259L87.7Confident90.4Very high135 Ų13555.9 Ų55.971%0.70730%0.301SS*.Hα-helixtrans-80.3-11.8176.4-69.3172.4000113.7S255 F256 I257 P261S255-L259 WeakPolarHBondContact O-CB 3.47Å; S255-L259 VanDerWaalsContact O-CG 3.29Å; S255-L259 WeakPolarHBondContact O-CG 3.48Å; S255-L259 PolarHBondContact O-N 3.21Å; S255-L259 VanDerWaalsContact O-N 3.09Å; F256-L259 PolarHBondContact O-N 3.48Å; I257-L259 VanDerWaalsContact C-N 3.27Å; I257-L259 PolarHBondContact O-N 2.88Å; L259-P261 VanDerWaalsContact C-CD 3.46Å; L259-P261 WeakPolarHBondContact O-CD 3.45Å
260H88.1Confident90.4Very high81 Ų8161.3 Ų61.338%0.37533%0.325SS..  trans-124.565.3-177.6-62.485.4000111.3W67 F256 I257 L258 F262 G263W67-H260 HydrophobicContact CH2-CB 4.16Å; W67-H260 HydrophobicContact CZ2-CB 3.89Å; W67-H260 VanDerWaalsContact CZ2-O 3.3Å; W67-H260 WeakPolarHBondContact CZ2-O 3.13Å; F256-H260 AromaticContact CD1-ND1 3.71Å; F256-H260 AromaticContact CD2-CE1 3.75Å; F256-H260 AromaticContact CD2-ND1 3.99Å; F256-H260 AromaticContact CE1-CE1 3.96Å; F256-H260 AromaticContact CE1-ND1 3.67Å; F256-H260 AromaticContact CE2-CE1 3.46Å; F256-H260 VanDerWaalsContact CE2-CE1 3.46Å; F256-H260 WeakPolarHBondContact CE2-CE1 3.28Å; F256-H260 AromaticContact CE2-ND1 3.95Å; F256-H260 AromaticContact CG-ND1 3.87Å; F256-H260 AromaticContact CZ-CE1 3.58Å; F256-H260 AromaticContact CZ-ND1 3.79Å; F256-H260 AromaticContact CZ-NE2 3.91Å; F256-H260 PolarHBondContact O-N 3.08Å; F256-H260 PolarHBondContact O-ND1 3.22Å; I257-H260 CarbonylContact O-C 3.54Å; I257-H260 PolarHBondContact O-N 3.23Å; I257-H260 VanDerWaalsContact O-N 3.08Å; L258-H260 VanDerWaalsContact C-N 3.33Å; H260-F262 PolarHBondContact O-N 2.88Å; H260-G263 PolarHBondContact O-N 2.86Å
261P80.6Confident90.4Very high91 Ų9164 Ų6459%0.59134%0.338SS*.THydrogen-bonded Turntrans-61.8-19.9-174.925.3-35.3000114.5L259L259-P261 VanDerWaalsContact C-CD 3.46Å; L259-P261 WeakPolarHBondContact O-CD 3.45Å
262F86Confident90.5Very high204 Ų20462.4 Ų62.490%0.89533%0.329SS*.THydrogen-bonded Turntrans-1059.3175.3-53.2-69.5000113.4H260H260-F262 PolarHBondContact O-N 2.88Å
263G91.3Very high90.8Very high18 Ų1861.2 Ų61.219%0.18632%0.321CS..  trans-79175.8176.600000112.8W67 H260W67-G263 VanDerWaalsContact CZ2-C 3.44Å; H260-G263 PolarHBondContact O-N 2.86Å
264S94.3Very high91.2Very high28 Ų2864.5 Ų64.520%0.19633%0.328CS..  trans-160.6158.4174.556.20000110.7P66 H266 H267 L268P66-S264 VanDerWaalsContact O-CA 3.3Å; P66-S264 WeakPolarHBondContact O-CA 3.5Å; P66-S264 WeakPolarHBondContact O-CB 3.29Å; S264-H266 PolarHBondContact O-N 3Å; S264-H267 PolarHBondContact O-N 2.83Å; S264-H267 PolarHBondContact OG-N 2.89Å; S264-L268 PolarHBondContact O-N 3.16Å
265V95.2Very high92Very high6 Ų664 Ų644%0.03632%0.322CS..Hα-helixtrans-59.2-35.4167.5170.90000110.3P66 W67 T70 H267 L268 A269 D298 F299P66-V265 PolarHBondContact O-N 2.93Å; W67-V265 HydrophobicContact CE3-CG2 4.24Å; W67-V265 VanDerWaalsContact O-CG2 3.23Å; W67-V265 WeakPolarHBondContact O-CG2 3.32Å; T70-V265 HydrophobicContact CG2-CG1 4.22Å; V265-H267 VanDerWaalsContact C-N 3.27Å; V265-H267 PolarHBondContact O-N 3.23Å; V265-L268 CarbonylContact O-C 3.57Å; V265-L268 PolarHBondContact O-N 3.08Å; V265-A269 WeakPolarHBondContact O-CB 3.48Å; V265-A269 PolarHBondContact O-N 3.03Å; V265-D298 HydrophobicContact CG1-CB 4.17Å; V265-D298 WeakPolarHBondContact CG1-OD2 3.45Å; V265-F299 HydrophobicContact CB-CE2 4.28Å; V265-F299 HydrophobicContact CG1-CD2 4.41Å; V265-F299 HydrophobicContact CG1-CE2 3.93Å
266H96.4Very high92.6Very high60 Ų6060.5 Ų60.528%0.27830%0.297SS..Hα-helixtrans-59-37177.4-177.4-114.4000113.1S264 K270 F299S264-H266 PolarHBondContact O-N 3Å; H266-K270 WeakPolarHBondContact CE1-CE 3.26Å; H266-K270 WeakPolarHBondContact O-CG 3.24Å; H266-K270 PolarHBondContact O-N 2.84Å; H266-F299 VanDerWaalsContact CA-CE2 3.49Å; H266-F299 HydrophobicContact CB-CD2 4.06Å; H266-F299 HydrophobicContact CB-CE1 4.43Å; H266-F299 HydrophobicContact CB-CE2 3.68Å; H266-F299 HydrophobicContact CB-CZ 3.88Å; H266-F299 AromaticContact CD2-CD1 3.72Å; H266-F299 AromaticContact CD2-CD2 3.93Å; H266-F299 AromaticContact CD2-CG 3.65Å
267H95.7Very high92.9Very high111 Ų11161.4 Ų61.451%0.51430%0.302SS..Hα-helixtrans-66-45173.2-178.578.5000111.8S264 V265 A269 K270 I271S264-H267 PolarHBondContact O-N 2.83Å; S264-H267 PolarHBondContact OG-N 2.89Å; V265-H267 VanDerWaalsContact C-N 3.27Å; V265-H267 PolarHBondContact O-N 3.23Å; H267-A269 VanDerWaalsContact C-N 3.34Å; H267-A269 PolarHBondContact O-N 2.79Å; H267-K270 PolarHBondContact O-N 3.37Å; H267-I271 PolarHBondContact O-N 2.75Å
268L96.5Very high93.4Very high9 Ų966.1 Ų66.15%0.04732%0.324CS..Hα-helixtrans-63.7-39.9176.8-67.1-178.1000112W67 L250 P252 F256 S264 V265 K270 I271 A272W67-L268 HydrophobicContact CZ3-CD1 3.96Å; L250-L268 HydrophobicContact CB-CB 4.2Å; L250-L268 HydrophobicContact CD1-CD2 4.44Å; P252-L268 HydrophobicContact CB-CD1 3.88Å; P252-L268 HydrophobicContact CG-CD1 3.82Å; F256-L268 HydrophobicContact CE1-CD1 4.3Å; F256-L268 HydrophobicContact CE1-CD2 4.3Å; F256-L268 HydrophobicContact CZ-CD2 4.24Å; S264-L268 PolarHBondContact O-N 3.16Å; V265-L268 CarbonylContact O-C 3.57Å; V265-L268 PolarHBondContact O-N 3.08Å; L268-K270 VanDerWaalsContact C-N 3.33Å; L268-K270 PolarHBondContact O-N 3.05Å; L268-I271 WeakPolarHBondContact O-CB 3.17Å; L268-I271 PolarHBondContact O-N 3.23Å; L268-A272 WeakPolarHBondContact O-CB 3.49Å; L268-A272 PolarHBondContact O-N 2.95Å
269A97.3Very high94.1Very high0 Ų061.2 Ų61.20%030%0.298CS..Hα-helixtrans-56.9-45.8176.200000111.2V265 H267 I271 A272 G273 D298 F299 Y304V265-A269 WeakPolarHBondContact O-CB 3.48Å; V265-A269 PolarHBondContact O-N 3.03Å; H267-A269 VanDerWaalsContact C-N 3.34Å; H267-A269 PolarHBondContact O-N 2.79Å; A269-I271 PolarHBondContact O-N 3.06Å; A269-A272 PolarHBondContact O-N 3.02Å; A269-G273 PolarHBondContact O-N 3.1Å; A269-D298 HydrophobicContact CB-CB 3.6Å; A269-F299 HydrophobicContact CB-CB 4.23Å; A269-F299 HydrophobicContact CB-CD2 3.8Å; A269-F299 HydrophobicContact CB-CG 4.49Å; A269-Y304 WeakPolarHBondContact O-CE2 3.34Å; A269-Y304 VanDerWaalsContact O-CZ 3.31Å; A269-Y304 PolarHBondContact O-OH 2.81Å
270K96.6Very high94.6Very high114 Ų11454.9 Ų54.950%0.49627%0.265SS..Hα-helixtrans-60-27.9174.9-73.8-178.1-179.2-176.60114.3H266 H267 L268 T303 Y304H266-K270 WeakPolarHBondContact CE1-CE 3.26Å; H266-K270 WeakPolarHBondContact O-CG 3.24Å; H266-K270 PolarHBondContact O-N 2.84Å; H267-K270 PolarHBondContact O-N 3.37Å; L268-K270 VanDerWaalsContact C-N 3.33Å; L268-K270 PolarHBondContact O-N 3.05Å; K270-T303 HydrophobicContact CG-CG2 3.54Å; K270-Y304 WeakPolarHBondContact CA-OH 2.99Å; K270-Y304 PolarHBondContact O-OH 2.6Å
271I96.9Very high95Very high60 Ų6054.7 Ų54.731%0.30827%0.267SS..Hα-helixtrans-82.8-51.5175.4-62.8171.9000109.5P221 L250 H267 L268 A269 K274 Y275P221-I271 HydrophobicContact CB-CG2 4.07Å; P221-I271 HydrophobicContact CG-CG2 3.72Å; L250-I271 HydrophobicContact CD1-CB 4.31Å; L250-I271 HydrophobicContact CD1-CG2 4.16Å; H267-I271 PolarHBondContact O-N 2.75Å; L268-I271 WeakPolarHBondContact O-CB 3.17Å; L268-I271 PolarHBondContact O-N 3.23Å; A269-I271 PolarHBondContact O-N 3.06Å; I271-K274 PolarHBondContact O-N 3.34Å; I271-Y275 WeakPolarHBondContact O-CD2 3.48Å
272A97.2Very high95.7Very high0 Ų054.3 Ų54.30%026%0.256CS..Hα-helixtrans-54.6-57.8-175.700000111.2M224 G248 L250 L268 A269 K274 Y275 Y276M224-A272 HydrophobicContact CE-CB 4.5Å; M224-A272 WeakPolarHBondContact CE-O 3.38Å; M224-A272 HydrophobicContact SD-CB 4.14Å; G248-A272 WeakPolarHBondContact O-CB 3.36Å; L250-A272 HydrophobicContact CB-CB 4.44Å; L250-A272 HydrophobicContact CD1-CB 3.98Å; L250-A272 HydrophobicContact CG-CB 3.67Å; L268-A272 WeakPolarHBondContact O-CB 3.49Å; L268-A272 PolarHBondContact O-N 2.95Å; A269-A272 PolarHBondContact O-N 3.02Å; A272-K274 VanDerWaalsContact C-N 3.28Å; A272-K274 PolarHBondContact O-N 2.87Å; A272-Y275 WeakPolarHBondContact O-CB 3.35Å; A272-Y275 PolarHBondContact O-N 3.44Å; A272-Y275 VanDerWaalsContact O-N 3.08Å; A272-Y276 PolarHBondContact O-N 3.35Å
273G96Very high96.1Very high0 Ų049.9 Ų49.90%025%0.248CC..Hα-helixtrans-70.7-19.7-173.200000114.7A269 Y275 Y276 Q277 I297 Y304A269-G273 PolarHBondContact O-N 3.1Å; G273-Y275 PolarHBondContact O-N 2.96Å; G273-Y276 PolarHBondContact O-N 2.89Å; G273-Q277 WeakPolarHBondContact O-CB 3.29Å; G273-Q277 PolarHBondContact O-N 3.38Å; G273-I297 VanDerWaalsContact CA-CD1 3.48Å; G273-Y304 WeakPolarHBondContact CA-OH 3.35Å; G273-Y304 PolarHBondContact N-OH 2.8Å; G273-Y304 VanDerWaalsContact O-CE1 3.28Å; G273-Y304 WeakPolarHBondContact O-CE1 3.14Å
274K96.1Very high96.1Very high124 Ų12454.6 Ų54.654%0.53927%0.269SS..Hα-helixtrans-60.4-44171.5178.1179.9176.61780109.5I271 A272 Q278 Y304I271-K274 PolarHBondContact O-N 3.34Å; A272-K274 VanDerWaalsContact C-N 3.28Å; A272-K274 PolarHBondContact O-N 2.87Å; K274-Q278 VanDerWaalsContact O-CG 3.3Å; K274-Q278 WeakPolarHBondContact O-CG 3.42Å; K274-Q278 PolarHBondContact O-N 3.24Å; K274-Y304 VanDerWaalsContact N-CZ 3.31Å; K274-Y304 PolarHBondContact N-OH 3.3Å
275Y97.6Very high96.2Very high62 Ų6253.7 Ų53.724%0.24326%0.261CS..Hα-helixtrans-72.5-41.4176-76-102.7000111.4P221 R222 I225 I271 A272 G273 Q278 W279P221-Y275 HydrophobicContact CB-CD1 4.19Å; P221-Y275 HydrophobicContact CB-CD2 3.5Å; P221-Y275 VanDerWaalsContact CB-CD2 3.5Å; P221-Y275 HydrophobicContact CB-CE1 4.43Å; P221-Y275 HydrophobicContact CB-CE2 3.77Å; P221-Y275 HydrophobicContact CB-CG 3.71Å; P221-Y275 HydrophobicContact CG-CD2 4.01Å; P221-Y275 HydrophobicContact CG-CE2 3.73Å; R222-Y275 HydrophobicContact CG-CE1 3.94Å; I225-Y275 HydrophobicContact CG1-CD1 4.42Å; I271-Y275 WeakPolarHBondContact O-CD2 3.48Å; A272-Y275 WeakPolarHBondContact O-CB 3.35Å; A272-Y275 PolarHBondContact O-N 3.44Å; A272-Y275 VanDerWaalsContact O-N 3.08Å; G273-Y275 PolarHBondContact O-N 2.96Å; Y275-Q278 PolarHBondContact O-N 2.94Å; Y275-W279 WeakPolarHBondContact O-CB 3.43Å; Y275-W279 PolarHBondContact O-N 3.4Å
276Y97.4Very high96.2Very high1 Ų156.7 Ų56.70%0.00428%0.277CS..Hα-helixtrans-65.3-41.2-179.6-164.4-117.1000112.4M224 L228 H246 A272 G273 W279 L280 T295 I297 Y307M224-Y276 HydrophobicContact CE-CD2 4.4Å; L228-Y276 HydrophobicContact CD1-CD2 3.64Å; L228-Y276 HydrophobicContact CD1-CE2 3.53Å; H246-Y276 PolarHBondContact O-OH 3.27Å; A272-Y276 PolarHBondContact O-N 3.35Å; G273-Y276 PolarHBondContact O-N 2.89Å; Y276-W279 AromaticContact CD2-CE3 3.82Å; Y276-W279 HydrophobicContact CD2-CE3 3.82Å; Y276-W279 HydrophobicContact CD2-CZ3 4.2Å; Y276-W279 AromaticContact CE2-CE3 3.59Å; Y276-W279 HydrophobicContact CE2-CE3 3.59Å; Y276-W279 HydrophobicContact CE2-CH2 4.42Å; Y276-W279 AromaticContact CE2-CZ3 3.48Å; Y276-W279 HydrophobicContact CE2-CZ3 3.48Å; Y276-W279 VanDerWaalsContact CE2-CZ3 3.48Å; Y276-W279 AromaticContact CZ-CZ3 3.86Å; Y276-W279 CarbonylContact O-C 3.54Å; Y276-W279 WeakPolarHBondContact O-CA 3.35Å; Y276-W279 WeakPolarHBondContact O-CB 3.44Å; Y276-W279 PolarHBondContact O-N 3.08Å; Y276-W279 VanDerWaalsContact O-N 3.13Å; Y276-L280 HydrophobicContact CD1-CD1 3.77Å; Y276-L280 HydrophobicContact CD1-CG 4.16Å; Y276-L280 HydrophobicContact CE1-CD1 3.67Å; Y276-L280 HydrophobicContact CE1-CD2 4.17Å; Y276-L280 HydrophobicContact CE1-CG 4Å; Y276-L280 WeakPolarHBondContact O-CG 3.43Å; Y276-L280 PolarHBondContact O-N 3.33Å; Y276-T295 VanDerWaalsContact OH-CB 3.22Å; Y276-T295 WeakPolarHBondContact OH-CB 3.23Å; Y276-T295 WeakPolarHBondContact OH-CG2 3.47Å; Y276-I297 HydrophobicContact CD1-CD1 4.18Å; Y276-Y307 HydrophobicContact CE1-CE2 4.23Å
277Q96Very high96.2Very high64 Ų6454.2 Ų54.230%0.29927%0.266SS..Hα-helixtrans-61.7-45.8174.6-178.9-176.133.400111.3G273 W279 L280 N281 Y304 T306 D310G273-Q277 WeakPolarHBondContact O-CB 3.29Å; G273-Q277 PolarHBondContact O-N 3.38Å; Q277-W279 PolarHBondContact O-N 3.06Å; Q277-L280 PolarHBondContact O-N 3.09Å; Q277-N281 WeakPolarHBondContact CG-ND2 3.5Å; Q277-N281 WeakPolarHBondContact O-CB 3.4Å; Q277-N281 PolarHBondContact O-N 3.46Å; Q277-N281 PolarHBondContact O-ND2 2.9Å; Q277-Y304 HydrophobicContact CB-CD1 4.46Å; Q277-T306 PolarHBondContact NE2-OG1 3.42Å; Q277-D310 PolarHBondContact NE2-OD2 3.02Å
278Q96.6Very high96.2Very high116 Ų11649 Ų4954%0.54224%0.243SC..Hα-helixtrans-60.6-36.8174.7-73.7176.911.500111.5K274 Y275 K282K274-Q278 VanDerWaalsContact O-CG 3.3Å; K274-Q278 WeakPolarHBondContact O-CG 3.42Å; K274-Q278 PolarHBondContact O-N 3.24Å; Y275-Q278 PolarHBondContact O-N 2.94Å; Q278-K282 WeakPolarHBondContact O-CG 3.39Å
279W97Very high96Very high2 Ų251.5 Ų51.51%0.00826%0.26CS..Hα-helixtrans-67.1-53.1176.2176.585.2000111.8I225 L228 N229 I232 H246 Y275 Y276 Q277 N281 K282 Q285 I292I225-W279 HydrophobicContact CD1-CB 3.64Å; I225-W279 HydrophobicContact CD1-CG 3.97Å; L228-W279 HydrophobicContact CB-CH2 4.41Å; L228-W279 HydrophobicContact CB-CZ2 3.82Å; L228-W279 HydrophobicContact CD1-CD2 4.42Å; L228-W279 HydrophobicContact CD1-CE3 4.42Å; L228-W279 HydrophobicContact CD1-CZ3 4.48Å; N229-W279 VanDerWaalsContact OD1-CD1 3.32Å; N229-W279 PolarHBondContact OD1-NE1 3.32Å; I232-W279 HydrophobicContact CD1-CH2 3.5Å; I232-W279 HydrophobicContact CD1-CZ2 3.45Å; I232-W279 VanDerWaalsContact CD1-CZ2 3.45Å; I232-W279 HydrophobicContact CG1-CZ2 4.32Å; H246-W279 HydrophobicContact CB-CH2 4.28Å; Y275-W279 WeakPolarHBondContact O-CB 3.43Å; Y275-W279 PolarHBondContact O-N 3.4Å; Y276-W279 AromaticContact CD2-CE3 3.82Å; Y276-W279 HydrophobicContact CD2-CE3 3.82Å; Y276-W279 HydrophobicContact CD2-CZ3 4.2Å; Y276-W279 AromaticContact CE2-CE3 3.59Å; Y276-W279 HydrophobicContact CE2-CE3 3.59Å; Y276-W279 HydrophobicContact CE2-CH2 4.42Å; Y276-W279 AromaticContact CE2-CZ3 3.48Å; Y276-W279 HydrophobicContact CE2-CZ3 3.48Å; Y276-W279 VanDerWaalsContact CE2-CZ3 3.48Å; Y276-W279 AromaticContact CZ-CZ3 3.86Å; Y276-W279 CarbonylContact O-C 3.54Å; Y276-W279 WeakPolarHBondContact O-CA 3.35Å; Y276-W279 WeakPolarHBondContact O-CB 3.44Å; Y276-W279 PolarHBondContact O-N 3.08Å; Y276-W279 VanDerWaalsContact O-N 3.13Å; Q277-W279 PolarHBondContact O-N 3.06Å; W279-N281 PolarHBondContact O-N 2.84Å; W279-K282 WeakPolarHBondContact O-CG 3.3Å; W279-K282 PolarHBondContact O-N 3.19Å; W279-K282 VanDerWaalsContact O-N 3.14Å; W279-Q285 VanDerWaalsContact NE1-NE2 3.17Å; W279-Q285 WeakPolarHBondContact O-CG 3.42Å; W279-I292 HydrophobicContact CE3-CD1 4.49Å; W279-I292 HydrophobicContact CH2-CD1 3.67Å; W279-I292 HydrophobicContact CH2-CG1 3.74Å; W279-I292 HydrophobicContact CZ2-CD1 4.33Å; W279-I292 HydrophobicContact CZ2-CG1 4.43Å; W279-I292 HydrophobicContact CZ3-CD1 3.76Å; W279-I292 HydrophobicContact CZ3-CG1 4.25Å
280L97.1Very high95.8Very high2 Ų253.7 Ų53.71%0.0127%0.271CS..Hα-helixtrans-53.5-40.8177.7-72.3174.3000112.5Y276 Q277 K282 I292 T295 Y307 V311 I314Y276-L280 HydrophobicContact CD1-CD1 3.77Å; Y276-L280 HydrophobicContact CD1-CG 4.16Å; Y276-L280 HydrophobicContact CE1-CD1 3.67Å; Y276-L280 HydrophobicContact CE1-CD2 4.17Å; Y276-L280 HydrophobicContact CE1-CG 4Å; Y276-L280 WeakPolarHBondContact O-CG 3.43Å; Y276-L280 PolarHBondContact O-N 3.33Å; Q277-L280 PolarHBondContact O-N 3.09Å; L280-K282 VanDerWaalsContact C-N 3.29Å; L280-K282 PolarHBondContact O-N 3.16Å; L280-I292 HydrophobicContact CD2-CD1 4.04Å; L280-T295 HydrophobicContact CD2-CG2 3.83Å; L280-Y307 HydrophobicContact CD1-CD2 4.06Å; L280-Y307 HydrophobicContact CD1-CE2 4.09Å; L280-V311 HydrophobicContact CD1-CG2 3.96Å; L280-V311 HydrophobicContact CD2-CG2 4.48Å; L280-I314 HydrophobicContact CD2-CD1 4.02Å
281N96.5Very high95.7Very high76 Ų7648.5 Ų48.541%0.40625%0.25SS..THydrogen-bonded Turntrans-82.62.9-175.2-72.2-50.7000114.5Q277 W279 D310Q277-N281 WeakPolarHBondContact CG-ND2 3.5Å; Q277-N281 WeakPolarHBondContact O-CB 3.4Å; Q277-N281 PolarHBondContact O-N 3.46Å; Q277-N281 PolarHBondContact O-ND2 2.9Å; W279-N281 PolarHBondContact O-N 2.84Å; N281-D310 PolarHBondContact ND2-OD2 3.4Å
282K96.2Very high95.7Very high83 Ų8345.7 Ų45.736%0.36124%0.236SC..SBendtrans-64.1144.6174.8-68.8179.9178.3-177.50110.9Q278 W279 L280 N284 Q285 K317Q278-K282 WeakPolarHBondContact O-CG 3.39Å; W279-K282 WeakPolarHBondContact O-CG 3.3Å; W279-K282 PolarHBondContact O-N 3.19Å; W279-K282 VanDerWaalsContact O-N 3.14Å; L280-K282 VanDerWaalsContact C-N 3.29Å; L280-K282 PolarHBondContact O-N 3.16Å; K282-N284 WeakPolarHBondContact CB-OD1 3.34Å; K282-N284 PolarHBondContact O-N 3.5Å; K282-Q285 HydrophobicContact CB-CG 4.04Å; K282-Q285 PolarHBondContact O-N 3.34Å; K282-Q285 VanDerWaalsContact O-N 3.1Å; K282-K317 PolarHBondContact O-NZ 3.17Å
283P93.7Very high95.7Very high112 Ų11245.7 Ų45.773%0.72724%0.236SC*.THydrogen-bonded Turntrans-57.4-37.1-178.8-26.934.8000113.6Q285 K317P283-Q285 VanDerWaalsContact C-N 3.33Å; P283-Q285 PolarHBondContact O-N 3.44Å; P283-K317 WeakPolarHBondContact O-CE 3.49Å
284N92.5Very high95.9Very high117 Ų11745.7 Ų45.763%0.62624%0.236SC*.THydrogen-bonded Turntrans-83.8-1.7-17870.4-40.2000114.4K282 L286K282-N284 WeakPolarHBondContact CB-OD1 3.34Å; K282-N284 PolarHBondContact O-N 3.5Å; N284-L286 PolarHBondContact O-N 2.91Å
285Q94.9Very high96Very high9 Ų939.8 Ų39.84%0.04221%0.21CC..  trans-80.1101.4173-73.8-54-15.800110.2W279 K282 P283 I292 K317W279-Q285 VanDerWaalsContact NE1-NE2 3.17Å; W279-Q285 WeakPolarHBondContact O-CG 3.42Å; K282-Q285 HydrophobicContact CB-CG 4.04Å; K282-Q285 PolarHBondContact O-N 3.34Å; K282-Q285 VanDerWaalsContact O-N 3.1Å; P283-Q285 VanDerWaalsContact C-N 3.33Å; P283-Q285 PolarHBondContact O-N 3.44Å; Q285-I292 HydrophobicContact CB-CD1 3.79Å; Q285-I292 HydrophobicContact CG-CD1 4.05Å; Q285-K317 WeakPolarHBondContact O-CE 3.46Å; Q285-K317 PolarHBondContact O-NZ 3.17Å
286L96Very high96Very high69 Ų6936.9 Ų36.936%0.36120%0.199SC..  trans-112.1157.5-179.9-60.9178.9000109.2N284 G291 I292 I314 K317 T318N284-L286 PolarHBondContact O-N 2.91Å; L286-G291 CarbonylContact O-C 3.47Å; L286-G291 WeakPolarHBondContact O-CA 3.35Å; L286-I292 PolarHBondContact O-N 3.41Å; L286-I314 VanDerWaalsContact C-CG2 3.49Å; L286-K317 HydrophobicContact CD2-CB 4.41Å; L286-K317 HydrophobicContact CD2-CD 4.24Å; L286-K317 HydrophobicContact CD2-CG 3.85Å; L286-T318 WeakPolarHBondContact CA-OG1 3.5Å; L286-T318 HydrophobicContact CB-CG2 4.32Å; L286-T318 WeakPolarHBondContact CB-OG1 3.32Å
287A96.7Very high96Very high7 Ų736.9 Ų36.96%0.05820%0.199CC..  trans-71.4-172.7158.900000110.1L22 S24 I292 I314 T318 W319L22-A287 VanDerWaalsContact O-CB 3.3Å; L22-A287 WeakPolarHBondContact O-CB 3.48Å; S24-A287 WeakPolarHBondContact OG-CB 3.23Å; A287-I292 WeakPolarHBondContact CA-O 3.39Å; A287-I314 HydrophobicContact CB-CG2 3.98Å; A287-T318 HydrophobicContact CB-CG2 4.18Å; A287-T318 PolarHBondContact N-OG1 2.93Å; A287-W319 HydrophobicContact CB-CH2 3.6Å; A287-W319 HydrophobicContact CB-CZ3 3.59Å
288G94.8Very high96.1Very high2 Ų234 Ų342%0.02119%0.185CC..SBendtrans101.6-170.6177.900000113.8L22 R238 D290 G291L22-G288 WeakPolarHBondContact O-CA 3.41Å; L22-G288 PolarHBondContact O-N 2.93Å; R238-G288 PolarHBondContact NH1-O 3.39Å; G288-D290 VanDerWaalsContact C-N 3.27Å; G288-D290 PolarHBondContact O-N 3.15Å; G288-G291 PolarHBondContact O-N 3.21Å; G288-G291 VanDerWaalsContact O-N 3.09Å
289P92.9Very high96.2Very high62 Ų6229.2 Ų29.240%0.40316%0.163SC..THydrogen-bonded Turntrans-63.8-31.7-170.524.9-33.8000113L22 R238L22-P289 HydrophobicContact CD2-CB 4.27Å; R238-P289 VanDerWaalsContact CB-O 3.23Å; R238-P289 WeakPolarHBondContact CB-O 2.99Å; R238-P289 PolarHBondContact N-O 3.37Å
290D93Very high96.2Very high46 Ų4629.3 Ų29.325%0.24616%0.163CC..THydrogen-bonded Turntrans-104.19.3178.1-59.3-50.7000113.3I232 H237 G288I232-D290 WeakPolarHBondContact CG2-O 3.28Å; H237-D290 WeakPolarHBondContact CA-OD1 3.23Å; H237-D290 IonicContact CE1-OD1 2.82Å; H237-D290 PolarHBondContact CE1-OD1 3.26Å; H237-D290 VanDerWaalsContact CE1-OD1 3.32Å; H237-D290 IonicContact CE1-OD2 3.15Å; H237-D290 PolarHBondContact CE1-OD2 3.02Å; H237-D290 IonicContact CG-OD1 3.8Å; H237-D290 PolarHBondContact N-OD1 2.67Å; H237-D290 IonicContact ND1-OD1 3.69Å; H237-D290 PolarHBondContact ND1-OD1 2.89Å; H237-D290 IonicContact ND1-OD2 3.98Å; H237-D290 PolarHBondContact ND1-OD2 3.06Å; H237-D290 VanDerWaalsContact ND1-OD2 3.15Å; G288-D290 VanDerWaalsContact C-N 3.27Å; G288-D290 PolarHBondContact O-N 3.15Å
291G94.9Very high96Very high5 Ų530.9 Ų30.95%0.05218%0.176CC..SBendtrans-109.7-163.9-165.100000114.1R238 L286 G288R238-G291 PolarHBondContact NH2-O 3Å; L286-G291 CarbonylContact O-C 3.47Å; L286-G291 WeakPolarHBondContact O-CA 3.35Å; G288-G291 PolarHBondContact O-N 3.21Å; G288-G291 VanDerWaalsContact O-N 3.09Å
292I97Very high95.8Very high0 Ų031 Ų310%018%0.18CC..  trans-83.2126.3175.3-64.4167.4000109.7S24 I232 W279 L280 Q285 L286 A287 T295 I314S24-I292 PolarHBondContact OG-O 3.08Å; I232-I292 HydrophobicContact CD1-CB 4.43Å; I232-I292 HydrophobicContact CD1-CD1 4.47Å; I232-I292 HydrophobicContact CD1-CG1 3.43Å; I232-I292 VanDerWaalsContact CD1-CG1 3.43Å; W279-I292 HydrophobicContact CE3-CD1 4.49Å; W279-I292 HydrophobicContact CH2-CD1 3.67Å; W279-I292 HydrophobicContact CH2-CG1 3.74Å; W279-I292 HydrophobicContact CZ2-CD1 4.33Å; W279-I292 HydrophobicContact CZ2-CG1 4.43Å; W279-I292 HydrophobicContact CZ3-CD1 3.76Å; W279-I292 HydrophobicContact CZ3-CG1 4.25Å; L280-I292 HydrophobicContact CD2-CD1 4.04Å; Q285-I292 HydrophobicContact CB-CD1 3.79Å; Q285-I292 HydrophobicContact CG-CD1 4.05Å; L286-I292 PolarHBondContact O-N 3.41Å; A287-I292 WeakPolarHBondContact CA-O 3.39Å; I292-T295 HydrophobicContact CG2-CG2 3.31Å; I292-I314 HydrophobicContact CD1-CD1 3.82Å; I292-I314 HydrophobicContact CG2-CD1 4.43Å
293N97.9Very high95.6Very high0 Ų028.1 Ų28.10%017%0.169CC..  trans-102.5-104.5168175.6-139000110.5L20 N21 I23 S24 I25 R238 S244L20-N293 PolarHBondContact O-ND2 3.37Å; N21-N293 WeakPolarHBondContact CA-ND2 3.44Å; I23-N293 WeakPolarHBondContact O-CA 3.32Å; I23-N293 PolarHBondContact O-ND2 2.83Å; S24-N293 CarbonylContact C-O 3.53Å; S24-N293 WeakPolarHBondContact CA-O 3.03Å; I25-N293 PolarHBondContact N-O 3.1Å; R238-N293 VanDerWaalsContact CZ-CB 3.4Å; S244-N293 PolarHBondContact N-OD1 3.37Å; S244-N293 WeakPolarHBondContact O-CB 3.47Å; S244-N293 PolarHBondContact O-OD1 2.51Å
294I98.7Very high95.5Very high0 Ų023.4 Ų23.40%014%0.137CC..EExtended strand (participates in β ladder)trans-79133.3179.9-60.7160.2000108.4I25 Y85 I138 I211 F243 S244 V245 H246I25-I294 HydrophobicContact CB-CG1 4.21Å; I25-I294 HydrophobicContact CD1-CG1 4.43Å; I25-I294 WeakPolarHBondContact O-CA 3.1Å; Y85-I294 HydrophobicContact CD1-CG2 3.66Å; Y85-I294 HydrophobicContact CD2-CD1 3.7Å; Y85-I294 HydrophobicContact CD2-CG1 4.35Å; Y85-I294 HydrophobicContact CD2-CG2 3.7Å; Y85-I294 HydrophobicContact CE1-CG2 4.17Å; Y85-I294 HydrophobicContact CE2-CD1 4Å; Y85-I294 HydrophobicContact CE2-CG2 4.2Å; Y85-I294 HydrophobicContact CG-CD1 4.46Å; Y85-I294 HydrophobicContact CG-CG2 3.39Å; I138-I294 HydrophobicContact CD1-CD1 3.96Å; I138-I294 HydrophobicContact CD1-CG1 4.49Å; I211-I294 HydrophobicContact CD1-CD1 4.07Å; F243-I294 HydrophobicContact CB-CD1 3.91Å; F243-I294 HydrophobicContact CD1-CD1 4.01Å; F243-I294 HydrophobicContact CG-CD1 4.16Å; S244-I294 WeakPolarHBondContact O-CA 3.39Å; S244-I294 WeakPolarHBondContact O-CB 3.39Å; S244-I294 PolarHBondContact O-N 3.34Å; V245-I294 CarbonylContact C-O 3.53Å; V245-I294 WeakPolarHBondContact CA-O 3.22Å; V245-I294 HydrophobicContact CB-CB 4.44Å; V245-I294 HydrophobicContact CB-CG2 4.44Å; V245-I294 HydrophobicContact CG1-CB 4.49Å; V245-I294 HydrophobicContact CG1-CG2 4.04Å; V245-I294 HydrophobicContact CG2-CB 4.09Å; V245-I294 HydrophobicContact CG2-CD1 4.21Å; V245-I294 HydrophobicContact CG2-CG2 4.1Å; H246-I294 PolarHBondContact CD2-O 3.44Å; H246-I294 PolarHBondContact N-O 3.49Å
295T98.5Very high95.3Very high0 Ų023 Ų230%014%0.141CC..EExtended strand (participates in β ladder)trans-109.1154172.858.20000109I25 G27 Y276 L280 I292 Y307 V311I25-T295 PolarHBondContact O-N 2.78Å; I25-T295 PolarHBondContact O-OG1 3.07Å; G27-T295 CarbonylContact C-O 3.56Å; G27-T295 WeakPolarHBondContact CA-O 3.38Å; G27-T295 PolarHBondContact N-O 2.99Å; Y276-T295 VanDerWaalsContact OH-CB 3.22Å; Y276-T295 WeakPolarHBondContact OH-CB 3.23Å; Y276-T295 WeakPolarHBondContact OH-CG2 3.47Å; L280-T295 HydrophobicContact CD2-CG2 3.83Å; I292-T295 HydrophobicContact CG2-CG2 3.31Å; T295-Y307 WeakPolarHBondContact CB-OH 3.24Å; T295-Y307 PolarHBondContact O-OH 2.89Å; T295-Y307 VanDerWaalsContact O-OH 3.09Å; T295-Y307 PolarHBondContact OG1-OH 3.21Å; T295-V311 HydrophobicContact CG2-CG1 4.2Å; T295-V311 HydrophobicContact CG2-CG2 4.12Å; T295-V311 VanDerWaalsContact OG1-CG2 3.24Å; T295-V311 WeakPolarHBondContact OG1-CG2 3.18Å
296L97.4Very high95.3Very high1 Ų124.4 Ų24.41%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-147.4131.4-174.5-171.3103.4000110.5S28 H29 Y85 D87 V245 H246 Q247 G248 V249 Y307S28-L296 VanDerWaalsContact C-CD1 3.41Å; S28-L296 VanDerWaalsContact O-CD1 3.32Å; S28-L296 WeakPolarHBondContact O-CD1 3.4Å; H29-L296 HydrophobicContact CB-CD1 4.35Å; H29-L296 HydrophobicContact CB-CD2 3.49Å; H29-L296 VanDerWaalsContact CB-CD2 3.49Å; H29-L296 HydrophobicContact CB-CG 3.74Å; Y85-L296 HydrophobicContact CD1-CD1 3.78Å; Y85-L296 HydrophobicContact CE1-CD1 3.42Å; Y85-L296 VanDerWaalsContact CE1-CD1 3.42Å; D87-L296 HydrophobicContact CB-CD1 3.89Å; V245-L296 HydrophobicContact CG1-CB 3.84Å; V245-L296 HydrophobicContact CG1-CD1 4.35Å; H246-L296 PolarHBondContact O-N 2.88Å; Q247-L296 HydrophobicContact CB-CD2 4.11Å; Q247-L296 HydrophobicContact CG-CB 4.28Å; Q247-L296 HydrophobicContact CG-CD2 3.64Å; G248-L296 PolarHBondContact N-O 3.12Å; V249-L296 HydrophobicContact CG1-CD2 4.48Å; L296-Y307 PolarHBondContact N-OH 3Å
297I97.8Very high95.4Very high2 Ų221.3 Ų21.31%0.0113%0.134CC..EExtended strand (participates in β ladder)trans-146.5158.9177.7-165.1167.6000112.5H29 Q71 G273 Y276 F300 Y304 Y307H29-I297 PolarHBondContact N-O 3.24Å; H29-I297 VanDerWaalsContact N-O 3.14Å; Q71-I297 PolarHBondContact NE2-O 2.82Å; G273-I297 VanDerWaalsContact CA-CD1 3.48Å; Y276-I297 HydrophobicContact CD1-CD1 4.18Å; I297-F300 HydrophobicContact CG2-CB 3.58Å; I297-Y304 HydrophobicContact CD1-CD2 3.4Å; I297-Y304 VanDerWaalsContact CD1-CD2 3.4Å; I297-Y304 HydrophobicContact CD1-CE2 3.69Å; I297-Y304 HydrophobicContact CD1-CG 4.07Å; I297-Y304 HydrophobicContact CG1-CD2 4.38Å; I297-Y307 HydrophobicContact CG2-CD1 4.01Å; I297-Y307 HydrophobicContact CG2-CD2 4.23Å; I297-Y307 HydrophobicContact CG2-CE1 3.8Å; I297-Y307 HydrophobicContact CG2-CE2 4.08Å; I297-Y307 HydrophobicContact CG2-CG 4.2Å
298D98.2Very high95.4Very high3 Ų321.6 Ų21.62%0.01613%0.134CC..SBendtrans-81.4143.2167.6-65.9-34.9000111.7H29 T70 V265 A269 F300 T303H29-D298 WeakPolarHBondContact CB-OD1 3.29Å; H29-D298 IonicContact CE1-OD1 3.75Å; H29-D298 IonicContact CG-OD1 3.86Å; H29-D298 IonicContact ND1-OD1 3.63Å; H29-D298 PolarHBondContact ND1-OD1 2.97Å; H29-D298 IonicContact ND1-OD2 2.97Å; T70-D298 VanDerWaalsContact CB-OD1 3.25Å; T70-D298 WeakPolarHBondContact CB-OD1 3.5Å; T70-D298 CarbonylContact O-C 3.14Å; V265-D298 HydrophobicContact CG1-CB 4.17Å; V265-D298 WeakPolarHBondContact CG1-OD2 3.45Å; A269-D298 HydrophobicContact CB-CB 3.6Å; D298-F300 VanDerWaalsContact C-N 3.27Å; D298-F300 PolarHBondContact O-N 3.28Å; D298-F300 VanDerWaalsContact O-N 3.16Å; D298-T303 PolarHBondContact O-OG1 3.43Å
299F97.9Very high95.5Very high15 Ų1527.8 Ų27.87%0.06616%0.157CC..SBendtrans51.339.3170.1-67-80.1000114.6V69 T70 Q71 V265 H266 A269 A301 T302 T303V69-F299 HydrophobicContact CB-CZ 4.28Å; V69-F299 HydrophobicContact CG1-CE1 4.04Å; V69-F299 HydrophobicContact CG1-CZ 3.83Å; V69-F299 WeakPolarHBondContact O-CE2 3.3Å; V69-F299 WeakPolarHBondContact O-CZ 3.1Å; T70-F299 VanDerWaalsContact O-CD2 3.22Å; T70-F299 WeakPolarHBondContact O-CD2 3.33Å; T70-F299 VanDerWaalsContact O-CG 3.32Å; T70-F299 WeakPolarHBondContact O-CG 3.44Å; T70-F299 PolarHBondContact O-N 3.19Å; Q71-F299 VanDerWaalsContact OE1-N 3.17Å; V265-F299 HydrophobicContact CB-CE2 4.28Å; V265-F299 HydrophobicContact CG1-CD2 4.41Å; V265-F299 HydrophobicContact CG1-CE2 3.93Å; H266-F299 VanDerWaalsContact CA-CE2 3.49Å; H266-F299 HydrophobicContact CB-CD2 4.06Å; H266-F299 HydrophobicContact CB-CE1 4.43Å; H266-F299 HydrophobicContact CB-CE2 3.68Å; H266-F299 HydrophobicContact CB-CZ 3.88Å; H266-F299 AromaticContact CD2-CD1 3.72Å; H266-F299 AromaticContact CD2-CD2 3.93Å; H266-F299 AromaticContact CD2-CG 3.65Å; A269-F299 HydrophobicContact CB-CB 4.23Å; A269-F299 HydrophobicContact CB-CD2 3.8Å; A269-F299 HydrophobicContact CB-CG 4.49Å; F299-A301 PolarHBondContact O-N 3.45Å; F299-A301 VanDerWaalsContact O-N 3.09Å; F299-T302 PolarHBondContact O-N 3.22Å; F299-T302 PolarHBondContact O-OG1 2.96Å; F299-T303 HydrophobicContact CB-CG2 3.86Å; F299-T303 PolarHBondContact O-N 3.46Å; F299-T303 PolarHBondContact O-OG1 2.93Å
300F97Very high95.7Very high5 Ų525 Ų252%0.02214%0.139CC..Hα-helixtrans-53.3-40.6-172.175.1-86.1000112.4L73 Q78 A81 I83 I297 D298 T302 Y304 Y307 I308L73-F300 HydrophobicContact CD1-CZ 4.05Å; Q78-F300 HydrophobicContact CB-CE1 4.27Å; Q78-F300 HydrophobicContact CB-CZ 4.21Å; Q78-F300 HydrophobicContact CG-CE1 3.73Å; Q78-F300 HydrophobicContact CG-CZ 3.98Å; A81-F300 HydrophobicContact CB-CE2 3.82Å; A81-F300 HydrophobicContact CB-CZ 4Å; I83-F300 HydrophobicContact CD1-CD1 4.01Å; I83-F300 HydrophobicContact CD1-CD2 4.35Å; I83-F300 HydrophobicContact CD1-CE1 3.91Å; I83-F300 HydrophobicContact CD1-CE2 4.27Å; I83-F300 HydrophobicContact CD1-CG 4.24Å; I83-F300 HydrophobicContact CD1-CZ 4.05Å; I83-F300 HydrophobicContact CG1-CD1 4.26Å; I83-F300 HydrophobicContact CG1-CE1 3.63Å; I83-F300 HydrophobicContact CG1-CE2 4.08Å; I83-F300 HydrophobicContact CG1-CZ 3.53Å; I297-F300 HydrophobicContact CG2-CB 3.58Å; D298-F300 VanDerWaalsContact C-N 3.27Å; D298-F300 PolarHBondContact O-N 3.28Å; D298-F300 VanDerWaalsContact O-N 3.16Å; F300-T302 PolarHBondContact O-N 3.32Å; F300-Y304 CarbonylContact O-C 3.55Å; F300-Y304 VanDerWaalsContact O-CA 3.3Å; F300-Y304 WeakPolarHBondContact O-CA 3.43Å; F300-Y304 PolarHBondContact O-N 2.8Å; F300-Y307 HydrophobicContact CB-CD1 3.52Å; F300-Y307 HydrophobicContact CB-CE1 4.13Å; F300-Y307 HydrophobicContact CB-CG 4.17Å; F300-Y307 HydrophobicContact CD2-CD1 4.1Å; F300-Y307 AromaticContact CG-CD1 4Å; F300-Y307 HydrophobicContact CG-CD1 4Å; F300-I308 HydrophobicContact CD2-CD1 4.17Å; F300-I308 HydrophobicContact CD2-CG1 4.3Å; F300-I308 HydrophobicContact CE2-CD1 4.17Å; F300-I308 HydrophobicContact CE2-CG1 4.32Å
301A94.6Very high96Very high34 Ų3422.9 Ų22.928%0.28113%0.127SC..Hα-helixtrans-67-40-175.800000113.6L73 F299L73-A301 HydrophobicContact CD1-CB 3.45Å; L73-A301 VanDerWaalsContact CD1-CB 3.45Å; L73-A301 HydrophobicContact CG-CB 3.85Å; F299-A301 PolarHBondContact O-N 3.45Å; F299-A301 VanDerWaalsContact O-N 3.09Å
302T92Very high96.1Very high78 Ų7822.6 Ų22.648%0.47913%0.125SC..Hα-helixtrans-93.8-23.5-174.956.20000113.2S72 F299 F300S72-T302 WeakPolarHBondContact OG-CG2 3.29Å; F299-T302 PolarHBondContact O-N 3.22Å; F299-T302 PolarHBondContact O-OG1 2.96Å; F300-T302 PolarHBondContact O-N 3.32Å
303T91.1Very high96.1Very high23 Ų2325 Ų2514%0.14114%0.141CC..Hα-helixtrans-108.3-26.9-174.759.70000113K270 D298 F299K270-T303 HydrophobicContact CG-CG2 3.54Å; D298-T303 PolarHBondContact O-OG1 3.43Å; F299-T303 HydrophobicContact CB-CG2 3.86Å; F299-T303 PolarHBondContact O-N 3.46Å; F299-T303 PolarHBondContact O-OG1 2.93Å
304Y91.8Very high96.1Very high14 Ų1425 Ų256%0.05514%0.142CC..  trans-141.967.2-176.5-56.2-73000112A269 K270 G273 K274 Q277 I297 F300 T306 Y307A269-Y304 WeakPolarHBondContact O-CE2 3.34Å; A269-Y304 VanDerWaalsContact O-CZ 3.31Å; A269-Y304 PolarHBondContact O-OH 2.81Å; K270-Y304 WeakPolarHBondContact CA-OH 2.99Å; K270-Y304 PolarHBondContact O-OH 2.6Å; G273-Y304 WeakPolarHBondContact CA-OH 3.35Å; G273-Y304 PolarHBondContact N-OH 2.8Å; G273-Y304 VanDerWaalsContact O-CE1 3.28Å; G273-Y304 WeakPolarHBondContact O-CE1 3.14Å; K274-Y304 VanDerWaalsContact N-CZ 3.31Å; K274-Y304 PolarHBondContact N-OH 3.3Å; Q277-Y304 HydrophobicContact CB-CD1 4.46Å; I297-Y304 HydrophobicContact CD1-CD2 3.4Å; I297-Y304 VanDerWaalsContact CD1-CD2 3.4Å; I297-Y304 HydrophobicContact CD1-CE2 3.69Å; I297-Y304 HydrophobicContact CD1-CG 4.07Å; I297-Y304 HydrophobicContact CG1-CD2 4.38Å; F300-Y304 CarbonylContact O-C 3.55Å; F300-Y304 VanDerWaalsContact O-CA 3.3Å; F300-Y304 WeakPolarHBondContact O-CA 3.43Å; F300-Y304 PolarHBondContact O-N 2.8Å; Y304-T306 PolarHBondContact O-N 2.77Å; Y304-Y307 WeakPolarHBondContact O-CB 3.35Å; Y304-Y307 PolarHBondContact O-N 3.4Å
305P89.1Confident96.1Very high109 Ų10925 Ų2571%0.70814%0.142SC*.THydrogen-bonded Turntrans-61.2-19.2-17324.3-34.8000114.2
306T94.7Very high96Very high37 Ų3729 Ų2923%0.22716%0.157CC..THydrogen-bonded Turntrans-88.1-3.1174.867.10000114Q277 Y304 I308 R309 D310Q277-T306 PolarHBondContact NE2-OG1 3.42Å; Y304-T306 PolarHBondContact O-N 2.77Å; T306-I308 VanDerWaalsContact C-N 3.32Å; T306-I308 PolarHBondContact O-N 3.09Å; T306-R309 WeakPolarHBondContact O-CB 3.25Å; T306-R309 PolarHBondContact O-N 2.03Å; T306-R309 VanDerWaalsContact O-N 3.08Å; T306-D310 PolarHBondContact O-N 3.22Å; T306-D310 PolarHBondContact OG1-OD2 3.08Å
307Y97Very high95.9Very high5 Ų532.6 Ų32.62%0.0217%0.173CC..Hα-helixtrans-49.7-49.7-171.8169.3-120.5000112.9P26 G27 I83 Y276 L280 T295 L296 I297 F300 Y304 R309 D310 V311P26-Y307 HydrophobicContact CB-CE1 3.99Å; G27-Y307 PolarHBondContact N-OH 3.08Å; G27-Y307 VanDerWaalsContact N-OH 3.16Å; G27-Y307 WeakPolarHBondContact O-CE1 3.36Å; G27-Y307 PolarHBondContact O-OH 3.2Å; I83-Y307 HydrophobicContact CD1-CD1 4.45Å; I83-Y307 HydrophobicContact CD1-CE1 3.93Å; Y276-Y307 HydrophobicContact CE1-CE2 4.23Å; L280-Y307 HydrophobicContact CD1-CD2 4.06Å; L280-Y307 HydrophobicContact CD1-CE2 4.09Å; T295-Y307 WeakPolarHBondContact CB-OH 3.24Å; T295-Y307 PolarHBondContact O-OH 2.89Å; T295-Y307 VanDerWaalsContact O-OH 3.09Å; T295-Y307 PolarHBondContact OG1-OH 3.21Å; L296-Y307 PolarHBondContact N-OH 3Å; I297-Y307 HydrophobicContact CG2-CD1 4.01Å; I297-Y307 HydrophobicContact CG2-CD2 4.23Å; I297-Y307 HydrophobicContact CG2-CE1 3.8Å; I297-Y307 HydrophobicContact CG2-CE2 4.08Å; I297-Y307 HydrophobicContact CG2-CG 4.2Å; F300-Y307 HydrophobicContact CB-CD1 3.52Å; F300-Y307 HydrophobicContact CB-CE1 4.13Å; F300-Y307 HydrophobicContact CB-CG 4.17Å; F300-Y307 HydrophobicContact CD2-CD1 4.1Å; F300-Y307 AromaticContact CG-CD1 4Å; F300-Y307 HydrophobicContact CG-CD1 4Å; Y304-Y307 WeakPolarHBondContact O-CB 3.35Å; Y304-Y307 PolarHBondContact O-N 3.4Å; Y307-R309 PolarHBondContact O-N 3.44Å; Y307-D310 PolarHBondContact O-N 2.94Å; Y307-V311 HydrophobicContact CD2-CG2 3.78Å; Y307-V311 HydrophobicContact CE2-CG2 3.38Å; Y307-V311 VanDerWaalsContact O-CG2 3.31Å; Y307-V311 WeakPolarHBondContact O-CG2 3.07Å; Y307-V311 PolarHBondContact O-N 2.85Å
308I97.7Very high95.8Very high13 Ų1333.9 Ų33.97%0.06718%0.18CC..Hα-helixtrans-61.1-47.8-178.1-53.7-65.9000110.7P4 P26 A81 I83 F300 T306 D310 V311 V312P4-I308 HydrophobicContact CB-CG2 4.42Å; P26-I308 HydrophobicContact CB-CD1 3.7Å; P26-I308 HydrophobicContact CG-CD1 4.09Å; P26-I308 HydrophobicContact CG-CG2 4.41Å; A81-I308 VanDerWaalsContact O-CG1 3.25Å; A81-I308 WeakPolarHBondContact O-CG1 3.49Å; I83-I308 HydrophobicContact CD1-CD1 3.59Å; I83-I308 HydrophobicContact CG1-CD1 4.09Å; F300-I308 HydrophobicContact CD2-CD1 4.17Å; F300-I308 HydrophobicContact CD2-CG1 4.3Å; F300-I308 HydrophobicContact CE2-CD1 4.17Å; F300-I308 HydrophobicContact CE2-CG1 4.32Å; T306-I308 VanDerWaalsContact C-N 3.32Å; T306-I308 PolarHBondContact O-N 3.09Å; I308-D310 PolarHBondContact O-N 2.87Å; I308-V311 PolarHBondContact O-N 2.71Å; I308-V312 HydrophobicContact CG2-CG2 4.45Å; I308-V312 WeakPolarHBondContact O-CB 3.44Å; I308-V312 VanDerWaalsContact O-CG2 3.26Å; I308-V312 WeakPolarHBondContact O-CG2 3.23Å; I308-V312 PolarHBondContact O-N 3.16Å
309R97Very high95.7Very high131 Ų13135.8 Ų35.849%0.49419%0.187SC..Hα-helixtrans-60.1-48.5176.5-178.2-161.267.3-172.51.4110.6I2 T306 Y307 V311 V312 S313I2-R309 HydrophobicContact CD1-CG 4.08Å; T306-R309 WeakPolarHBondContact O-CB 3.25Å; T306-R309 PolarHBondContact O-N 2.03Å; T306-R309 VanDerWaalsContact O-N 3.08Å; Y307-R309 PolarHBondContact O-N 3.44Å; R309-V311 VanDerWaalsContact C-N 3.31Å; R309-V311 PolarHBondContact O-N 3.39Å; R309-V312 PolarHBondContact O-N 3.05Å; R309-S313 WeakPolarHBondContact O-CB 3.35Å; R309-S313 PolarHBondContact O-N 3.48Å; R309-S313 PolarHBondContact O-OG 2.93Å
310D97.2Very high95.5Very high5 Ų538.8 Ų38.83%0.02721%0.208CC..Hα-helixtrans-62.1-40.4-175.5-64.7-5000110.7Q277 N281 T306 Y307 I308 I314Q277-D310 PolarHBondContact NE2-OD2 3.02Å; N281-D310 PolarHBondContact ND2-OD2 3.4Å; T306-D310 PolarHBondContact O-N 3.22Å; T306-D310 PolarHBondContact OG1-OD2 3.08Å; Y307-D310 PolarHBondContact O-N 2.94Å; I308-D310 PolarHBondContact O-N 2.87Å; D310-I314 WeakPolarHBondContact O-CG1 3.15Å
311V98.2Very high94.9Very high0 Ų043.2 Ų43.20%023%0.232CC..Hα-helixtrans-69.4-49175.5177.20000111.9P26 L280 T295 Y307 I308 R309 S313 I314P26-V311 HydrophobicContact CB-CB 4.21Å; P26-V311 HydrophobicContact CB-CG1 4.13Å; P26-V311 HydrophobicContact CB-CG2 4.45Å; L280-V311 HydrophobicContact CD1-CG2 3.96Å; L280-V311 HydrophobicContact CD2-CG2 4.48Å; T295-V311 HydrophobicContact CG2-CG1 4.2Å; T295-V311 HydrophobicContact CG2-CG2 4.12Å; T295-V311 VanDerWaalsContact OG1-CG2 3.24Å; T295-V311 WeakPolarHBondContact OG1-CG2 3.18Å; Y307-V311 HydrophobicContact CD2-CG2 3.78Å; Y307-V311 HydrophobicContact CE2-CG2 3.38Å; Y307-V311 VanDerWaalsContact O-CG2 3.31Å; Y307-V311 WeakPolarHBondContact O-CG2 3.07Å; Y307-V311 PolarHBondContact O-N 2.85Å; I308-V311 PolarHBondContact O-N 2.71Å; R309-V311 VanDerWaalsContact C-N 3.31Å; R309-V311 PolarHBondContact O-N 3.39Å; V311-S313 VanDerWaalsContact C-N 3.28Å; V311-S313 PolarHBondContact O-N 2.9Å; V311-I314 VanDerWaalsContact O-CB 3.27Å; V311-I314 WeakPolarHBondContact O-CB 3.47Å; V311-I314 PolarHBondContact O-N 3.3Å; V311-I314 VanDerWaalsContact O-N 3.08Å
312V98.1Very high93.5Very high0 Ų047.6 Ų47.60%025%0.251CS..Hα-helixtrans-65.3-34.1-178.11720000111.1I2 W7 P26 I308 R309 I314 N315 Y316I2-V312 HydrophobicContact CD1-CB 3.9Å; I2-V312 HydrophobicContact CD1-CG1 3.62Å; I2-V312 HydrophobicContact CG1-CG1 3.92Å; I2-V312 HydrophobicContact CG2-CB 4.31Å; I2-V312 HydrophobicContact CG2-CG1 3.9Å; W7-V312 HydrophobicContact CD2-CG1 4.28Å; W7-V312 HydrophobicContact CD2-CG2 3.57Å; W7-V312 HydrophobicContact CE3-CB 4.38Å; W7-V312 HydrophobicContact CE3-CG1 3.79Å; W7-V312 HydrophobicContact CE3-CG2 3.68Å; W7-V312 HydrophobicContact CG-CG2 3.98Å; W7-V312 HydrophobicContact CH2-CG2 4.39Å; W7-V312 HydrophobicContact CZ2-CG2 4.31Å; W7-V312 HydrophobicContact CZ3-CG1 4.38Å; W7-V312 HydrophobicContact CZ3-CG2 4.07Å; P26-V312 HydrophobicContact CG-CG2 4.45Å; I308-V312 HydrophobicContact CG2-CG2 4.45Å; I308-V312 WeakPolarHBondContact O-CB 3.44Å; I308-V312 VanDerWaalsContact O-CG2 3.26Å; I308-V312 WeakPolarHBondContact O-CG2 3.23Å; I308-V312 PolarHBondContact O-N 3.16Å; R309-V312 PolarHBondContact O-N 3.05Å; V312-I314 PolarHBondContact O-N 3Å; V312-N315 WeakPolarHBondContact O-CB 3.4Å; V312-N315 PolarHBondContact O-N 3.45Å; V312-N315 VanDerWaalsContact O-N 3.12Å; V312-Y316 HydrophobicContact CG1-CD2 4.49Å; V312-Y316 HydrophobicContact CG1-CE2 3.89Å; V312-Y316 WeakPolarHBondContact O-CD2 3.43Å
313S97.1Very high91.7Very high50 Ų5052.7 Ų52.735%0.3527%0.267SS..Hα-helixtrans-62.2-23.1174.2-73.20000113.9R309 V311 N315 Y316 K317R309-S313 WeakPolarHBondContact O-CB 3.35Å; R309-S313 PolarHBondContact O-N 3.48Å; R309-S313 PolarHBondContact O-OG 2.93Å; V311-S313 VanDerWaalsContact C-N 3.28Å; V311-S313 PolarHBondContact O-N 2.9Å; S313-N315 VanDerWaalsContact C-N 3.25Å; S313-N315 PolarHBondContact O-N 3.16Å; S313-Y316 PolarHBondContact O-N 3.08Å; S313-K317 WeakPolarHBondContact O-CB 3.48Å; S313-K317 PolarHBondContact O-N 3.35Å
314I97.7Very high89.6Confident1 Ų159.5 Ų59.51%0.00530%0.3CS..Hα-helixtrans-60.5-38.8173.9-63.7167.9000110.2S24 L280 L286 A287 I292 D310 V311 V312 Y316 K317 T318S24-I314 VanDerWaalsContact OG-CG2 3.27Å; S24-I314 WeakPolarHBondContact OG-CG2 3.03Å; L280-I314 HydrophobicContact CD2-CD1 4.02Å; L286-I314 VanDerWaalsContact C-CG2 3.49Å; A287-I314 HydrophobicContact CB-CG2 3.98Å; I292-I314 HydrophobicContact CD1-CD1 3.82Å; I292-I314 HydrophobicContact CG2-CD1 4.43Å; D310-I314 WeakPolarHBondContact O-CG1 3.15Å; V311-I314 VanDerWaalsContact O-CB 3.27Å; V311-I314 WeakPolarHBondContact O-CB 3.47Å; V311-I314 PolarHBondContact O-N 3.3Å; V311-I314 VanDerWaalsContact O-N 3.08Å; V312-I314 PolarHBondContact O-N 3Å; I314-Y316 PolarHBondContact O-N 3.26Å; I314-K317 WeakPolarHBondContact O-CB 3.3Å; I314-K317 PolarHBondContact O-N 3.44Å; I314-T318 PolarHBondContact O-N 3.44Å; I314-T318 PolarHBondContact O-OG1 2.9Å
315N97.9Very high86.8Confident0 Ų063.2 Ų63.20%033%0.329CS..Hα-helixtrans-61.2-47.5178.6-65.1-48.9000112.5I15 I23 S24 V312 S313 K317 T318 W319I15-N315 HydrophobicContact CD1-CB 4.41Å; I15-N315 HydrophobicContact CG2-CB 3.98Å; I23-N315 WeakPolarHBondContact CA-OD1 3.33Å; I23-N315 WeakPolarHBondContact CB-OD1 3.47Å; S24-N315 PolarHBondContact N-OD1 3.07Å; S24-N315 PolarHBondContact O-ND2 2.84Å; V312-N315 WeakPolarHBondContact O-CB 3.4Å; V312-N315 PolarHBondContact O-N 3.45Å; V312-N315 VanDerWaalsContact O-N 3.12Å; S313-N315 VanDerWaalsContact C-N 3.25Å; S313-N315 PolarHBondContact O-N 3.16Å; N315-K317 VanDerWaalsContact C-N 3.27Å; N315-K317 PolarHBondContact O-N 2.89Å; N315-T318 PolarHBondContact O-N 2.93Å; N315-W319 PolarHBondContact O-N 3.17Å
316Y96.5Very high84.3Confident82 Ų8269.6 Ų69.632%0.32236%0.357SS..Hα-helixtrans-66.2-31.5177.9-65.3-85.7000112.4I2 L11 P12 I15 V312 S313 I314 W319I2-Y316 HydrophobicContact CD1-CE2 4.42Å; I2-Y316 HydrophobicContact CG1-CE2 4.26Å; L11-Y316 HydrophobicContact CD2-CE2 4.26Å; P12-Y316 HydrophobicContact CG-CE1 3.97Å; I15-Y316 HydrophobicContact CD1-CD1 4Å; I15-Y316 HydrophobicContact CD1-CE1 4.3Å; I15-Y316 HydrophobicContact CD1-CG 4.35Å; V312-Y316 HydrophobicContact CG1-CD2 4.49Å; V312-Y316 HydrophobicContact CG1-CE2 3.89Å; V312-Y316 WeakPolarHBondContact O-CD2 3.43Å; S313-Y316 PolarHBondContact O-N 3.08Å; I314-Y316 PolarHBondContact O-N 3.26Å; Y316-W319 CarbonylContact O-C 3.49Å
317K95.8Very high83.7Confident78 Ų7871.2 Ų71.234%0.33936%0.363SS..Hα-helixtrans-71-37.7175.5-171174.767.8-167.90111.9K282 P283 Q285 L286 S313 I314 N315K282-K317 PolarHBondContact O-NZ 3.17Å; P283-K317 WeakPolarHBondContact O-CE 3.49Å; Q285-K317 WeakPolarHBondContact O-CE 3.46Å; Q285-K317 PolarHBondContact O-NZ 3.17Å; L286-K317 HydrophobicContact CD2-CB 4.41Å; L286-K317 HydrophobicContact CD2-CD 4.24Å; L286-K317 HydrophobicContact CD2-CG 3.85Å; S313-K317 WeakPolarHBondContact O-CB 3.48Å; S313-K317 PolarHBondContact O-N 3.35Å; I314-K317 WeakPolarHBondContact O-CB 3.3Å; I314-K317 PolarHBondContact O-N 3.44Å; N315-K317 VanDerWaalsContact C-N 3.27Å; N315-K317 PolarHBondContact O-N 2.89Å
318T96.4Very high83Confident28 Ų2874.7 Ų74.717%0.17238%0.381CS..Hα-helixtrans-73.8-39.6179-60.60000112.9L286 A287 I314 N315 P320L286-T318 WeakPolarHBondContact CA-OG1 3.5Å; L286-T318 HydrophobicContact CB-CG2 4.32Å; L286-T318 WeakPolarHBondContact CB-OG1 3.32Å; A287-T318 HydrophobicContact CB-CG2 4.18Å; A287-T318 PolarHBondContact N-OG1 2.93Å; I314-T318 PolarHBondContact O-N 3.44Å; I314-T318 PolarHBondContact O-OG1 2.9Å; N315-T318 PolarHBondContact O-N 2.93Å; T318-P320 WeakPolarHBondContact O-CD 3.03Å
319W95.8Very high82.2Confident43 Ų4378.1 Ų78.116%0.16340%0.399CS..SBendtrans-123.677.1179.5-59.3-71.9000109.6H14 I15 K18 L22 I23 A287 N315 Y316H14-W319 PolarHBondContact NE2-O 3.24Å; I15-W319 HydrophobicContact CD1-CB 4.5Å; I15-W319 HydrophobicContact CG1-CB 4.07Å; I15-W319 HydrophobicContact CG2-CE3 4.15Å; K18-W319 HydrophobicContact CD-CZ2 4.27Å; K18-W319 HydrophobicContact CG-CD2 4.24Å; K18-W319 HydrophobicContact CG-CH2 4.33Å; K18-W319 HydrophobicContact CG-CZ2 4.02Å; L22-W319 HydrophobicContact CB-CH2 4.31Å; L22-W319 HydrophobicContact CB-CZ2 4.48Å; L22-W319 WeakPolarHBondContact O-CH2 3.39Å; I23-W319 HydrophobicContact CG2-CH2 4.36Å; I23-W319 HydrophobicContact CG2-CZ3 4.06Å; A287-W319 HydrophobicContact CB-CH2 3.6Å; A287-W319 HydrophobicContact CB-CZ3 3.59Å; N315-W319 PolarHBondContact O-N 3.17Å; Y316-W319 CarbonylContact O-C 3.49Å
320P92.8Very high81.4Confident78 Ų7875 Ų7551%0.50639%0.393SS..  trans-60.4154.4173.627.9-34.1000109.9T318 D322T318-P320 WeakPolarHBondContact O-CD 3.03Å; P320-D322 PolarHBondContact O-N 3.36Å
321N85Confident80.4Confident98 Ų9879.4 Ų79.452%0.52442%0.416SS..  trans-70.9116.8177.7-149.12.4000108.1K323N321-K323 PolarHBondContact O-N 3.04Å
322D64.9Low79.2Confident127 Ų12784.7 Ų84.768%0.67944%0.444SS*.SBendtrans-666.7-173.8-69.6-35.6000114.6P320 I324 S325P320-D322 PolarHBondContact O-N 3.36Å; D322-I324 PolarHBondContact O-N 3.5Å; D322-S325 PolarHBondContact O-N 2.69Å; D322-S325 PolarHBondContact O-OG 3.14Å
323K54.8Low77.8Confident185 Ų18590.7 Ų90.780%0.80448%0.475SS*.THydrogen-bonded Turntrans-71.622177.5-67.3-163.9174.9-170.10114.9N321N321-K323 PolarHBondContact O-N 3.04Å
324I45.2Very low76.3Confident165 Ų16593.8 Ų93.885%0.84649%0.485SS*.THydrogen-bonded Turntrans-112.95.5175-56.5179.1000111.8D322D322-I324 PolarHBondContact O-N 3.5Å
325S34.6Very low74.5Confident93 Ų93101.6 Ų101.665%0.6553%0.525SS*.  trans-117.877.6169.656.60000110.9D322D322-S325 PolarHBondContact O-N 2.69Å; D322-S325 PolarHBondContact O-OG 3.14Å
326D35Very low72.4Confident242 Ų242110.8 Ų110.8100%1.29457%0.573SS**  trans-136.60154.5-85-30.4000108.6

Retrieved 326 of 326 residues in 86.4 ms (Link to these results)

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