A0A077ZM39_TRITR Loading...

GDP-mannose 4,6-dehydratase

AlphaFold DB , UniProt , Accession A0A077ZM39, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 197 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
1M86.2Confident96.5Very high234 Ų23474.1 Ų74.1100%1.15341%0.409SS*.  0130.20-179.9-178.9-72.300106.8
2Y93.6Very high96.7Very high80 Ų8068.2 Ų68.231%0.31438%0.376SS..  trans-106.8123.6176.1-167.1-76.7000108.4C4 M64 L65 Q67 Q69 P70Y2-C4 HydrophobicContact CE1-CB 4.35Å; Y2-M64 PolarHBondContact OH-O 3.07Å; Y2-L65 HydrophobicContact CD1-CD2 4.15Å; Y2-L65 HydrophobicContact CE1-CD2 4.15Å; Y2-Q67 WeakPolarHBondContact CE2-O 3.48Å; Y2-Q67 PolarHBondContact OH-O 3.09Å; Y2-Q69 PolarHBondContact OH-O 3.29Å; Y2-P70 HydrophobicContact CD1-CB 4.19Å; Y2-P70 HydrophobicContact CD2-CB 4.2Å; Y2-P70 HydrophobicContact CD2-CG 4.43Å; Y2-P70 HydrophobicContact CE1-CB 3.94Å; Y2-P70 HydrophobicContact CE2-CB 3.97Å; Y2-P70 HydrophobicContact CE2-CG 4.4Å; Y2-P70 HydrophobicContact CG-CB 4.3Å; Y2-P70 VanDerWaalsContact CZ-CA 3.41Å; Y2-P70 WeakPolarHBondContact OH-CA 3.35Å
3A96.5Very high96.8Very high69 Ų6964.4 Ų64.457%0.5736%0.357SS*.  trans-146.8127.8-179.200000109.6P70A3-P70 WeakPolarHBondContact O-CB 3.35Å
4C97.2Very high96.9Very high32 Ų3261.1 Ų61.122%0.21634%0.34CS..  trans-142.4155.6178.659.10000110.2Y2 E71Y2-C4 HydrophobicContact CE1-CB 4.35Å; C4-E71 VanDerWaalsContact CB-O 3.26Å; C4-E71 WeakPolarHBondContact CB-O 3.31Å
5N98.2Very high96.9Very high101 Ų10172.4 Ų72.454%0.5438%0.376SS..  trans-107120.6175.5-60.4-79000110.5I7 D72 F73N5-I7 PolarHBondContact O-N 2.83Å; N5-D72 HydrophobicContact CB-CB 4.28Å; N5-D72 WeakPolarHBondContact CB-OD1 3.34Å; N5-D72 PolarHBondContact N-OD1 3.35Å; N5-D72 PolarHBondContact ND2-OD1 3.26Å; N5-D72 PolarHBondContact ND2-OD2 3.11Å; N5-D72 VanDerWaalsContact O-CA 3.3Å; N5-D72 WeakPolarHBondContact O-CA 3.27Å; N5-F73 PolarHBondContact O-N 3.15Å; N5-F73 VanDerWaalsContact O-N 3.11Å
6G98Very high97Very high40 Ų4071.3 Ų71.341%0.41237%0.365SS..EExtended strand (participates in β ladder)trans-82.9108.3162.200000109.7L8G6-L8 VanDerWaalsContact C-N 3.31Å; G6-L8 WeakPolarHBondContact O-CD1 3.44Å; G6-L8 PolarHBondContact O-N 3.28Å; G6-L8 VanDerWaalsContact O-N 3.13Å
7I98.4Very high96.9Very high88 Ų8869.2 Ų69.245%0.45137%0.365SS..EExtended strand (participates in β ladder)trans-87.378.7175.2-51.3168.9000107.2N5 F73 V74 I75N5-I7 PolarHBondContact O-N 2.83Å; I7-F73 PolarHBondContact N-O 2.94Å; I7-V74 HydrophobicContact CB-CG2 4.26Å; I7-V74 HydrophobicContact CD1-CG2 4.39Å; I7-V74 HydrophobicContact CG2-CG2 4.41Å; I7-V74 WeakPolarHBondContact O-CA 3.32Å; I7-I75 PolarHBondContact O-N 3.47Å
8L98.5Very high96.7Very high42 Ų4270.1 Ų70.122%0.2237%0.367CS..EExtended strand (participates in β ladder)trans-86.1122.2-173.9-84.862000110.7G6 Y57 Q61 M64 I75G6-L8 VanDerWaalsContact C-N 3.31Å; G6-L8 WeakPolarHBondContact O-CD1 3.44Å; G6-L8 PolarHBondContact O-N 3.28Å; G6-L8 VanDerWaalsContact O-N 3.13Å; L8-Y57 HydrophobicContact CB-CD1 4.07Å; L8-Y57 HydrophobicContact CB-CE1 4.5Å; L8-Y57 HydrophobicContact CD2-CD1 3.96Å; L8-Y57 HydrophobicContact CG-CD1 3.81Å; L8-Q61 HydrophobicContact CD2-CG 3.99Å; L8-M64 HydrophobicContact CD1-CE 4.41Å; L8-I75 HydrophobicContact CD1-CB 4.05Å; L8-I75 HydrophobicContact CD1-CG1 3.95Å; L8-I75 HydrophobicContact CG-CB 4.01Å; L8-I75 HydrophobicContact CG-CG1 4.43Å; L8-I75 HydrophobicContact CG-CG2 4.48Å
9F98.2Very high96.3Very high38 Ų3871.8 Ų71.817%0.16738%0.381CS..  trans-69.3177.4169.3-83.2-110.1000111.3H11 D50 Y57 V74 I75 A76 L144F9-H11 PolarHBondContact O-N 3.43Å; F9-H11 PolarHBondContact O-ND1 3.01Å; F9-D50 HydrophobicContact CB-CB 4.49Å; F9-D50 HydrophobicContact CD1-CB 3.97Å; F9-Y57 WeakPolarHBondContact O-CE1 3.28Å; F9-V74 HydrophobicContact CD2-CG1 3.97Å; F9-V74 HydrophobicContact CE2-CG1 3.68Å; F9-I75 PolarHBondContact N-O 2.95Å; F9-A76 HydrophobicContact CB-CB 3.94Å; F9-A76 HydrophobicContact CD2-CB 3.78Å; F9-A76 HydrophobicContact CE2-CB 4.47Å; F9-A76 HydrophobicContact CG-CB 3.81Å; F9-L144 HydrophobicContact CD1-CB 4.31Å; F9-L144 HydrophobicContact CE1-CB 4.1Å
10N98.3Very high96.3Very high42 Ų4272.9 Ų72.923%0.22538%0.382CS..EExtended strand (participates in β ladder)trans-55.1129.2-176.1-64.676000110.9D50 W51 G52N10-D50 WeakPolarHBondContact CB-O 3.35Å; N10-D50 PolarHBondContact N-O 2.79Å; N10-W51 VanDerWaalsContact CB-CD1 3.45Å; N10-W51 HydrophobicContact CB-CG 4.36Å; N10-W51 WeakPolarHBondContact O-CA 3.43Å; N10-G52 PolarHBondContact O-N 3.36Å
11H98.4Very high96.3Very high49 Ų4971.8 Ų71.823%0.22738%0.379CS..EExtended strand (participates in β ladder)trans-139.4132.7177.851-81.7000110.4F9 G52 Y57F9-H11 PolarHBondContact O-N 3.43Å; F9-H11 PolarHBondContact O-ND1 3.01Å; H11-G52 CarbonylContact C-O 3.55Å; H11-G52 WeakPolarHBondContact CA-O 3.37Å; H11-Y57 HydrophobicContact CB-CD1 3.54Å; H11-Y57 HydrophobicContact CB-CD2 4.12Å; H11-Y57 HydrophobicContact CB-CE1 3.76Å; H11-Y57 HydrophobicContact CB-CE2 4.34Å; H11-Y57 HydrophobicContact CB-CG 3.74Å; H11-Y57 AromaticContact CG-CD1 3.56Å; H11-Y57 AromaticContact CG-CG 3.96Å; H11-Y57 AromaticContact ND1-CD1 3.44Å; H11-Y57 WeakPolarHBondContact ND1-CD1 3.25Å; H11-Y57 AromaticContact ND1-CE1 3.86Å
12E98.6Very high96.8Very high3 Ų360.7 Ų60.71%0.01432%0.324CS..EExtended strand (participates in β ladder)trans-128.3168.1-164.6-40.7-67.9150.800109.9R16 T22 W51 G52 H53 A54 M166 M170E12-R16 IonicContact OE1-CZ 3.19Å; E12-R16 IonicContact OE1-NE 3.79Å; E12-R16 IonicContact OE1-NH2 3.56Å; E12-R16 PolarHBondContact OE1-NH2 3.24Å; E12-R16 VanDerWaalsContact OE2-CD 3.29Å; E12-R16 WeakPolarHBondContact OE2-CD 3.47Å; E12-R16 VanDerWaalsContact OE2-CG 3.25Å; E12-R16 WeakPolarHBondContact OE2-CG 3.42Å; E12-R16 IonicContact OE2-CZ 3.97Å; E12-R16 IonicContact OE2-NE 3.68Å; E12-R16 PolarHBondContact OE2-NE 3.46Å; E12-R16 IonicContact OE2-NH2 3.12Å; E12-R16 PolarHBondContact OE2-NH2 2.89Å; E12-T22 HydrophobicContact CG-CG2 3.88Å; E12-T22 PolarHBondContact OE2-OG1 3.48Å; E12-W51 HydrophobicContact CG-CG 4.36Å; E12-G52 PolarHBondContact N-O 2.93Å; E12-H53 PolarHBondContact O-CD2 3.38Å; E12-A54 PolarHBondContact O-N 3.43Å; E12-M166 HydrophobicContact CB-CE 4.05Å; E12-M166 HydrophobicContact CB-SD 3.63Å; E12-M166 HydrophobicContact CG-CE 4.18Å; E12-M166 HydrophobicContact CG-SD 4.32Å; E12-M170 HydrophobicContact CB-SD 4.06Å
13S98.5Very high97Very high19 Ų1958 Ų5813%0.13331%0.313CS..  trans-172.2171.6177.363.70000109.6R15 R16S13-R15 PolarHBondContact O-N 3.35Å; S13-R15 PolarHBondContact OG-N 3.41Å; S13-R15 VanDerWaalsContact OG-N 3.15Å; S13-R16 VanDerWaalsContact O-CB 3.25Å; S13-R16 WeakPolarHBondContact O-CB 3.37Å; S13-R16 PolarHBondContact O-N 3.15Å
14P98.1Very high97Very high19 Ų1955.5 Ų55.512%0.12329%0.289CS..THydrogen-bonded Turntrans-60.8-3.9167.8-23.233.8000114.9R23 E169 M170 N173P14-R23 VanDerWaalsContact C-NH1 3.34Å; P14-R23 PolarHBondContact O-NH1 2.98Å; P14-R23 PolarHBondContact O-NH2 2.9Å; P14-E169 HydrophobicContact CG-CG 3.66Å; P14-M170 HydrophobicContact CG-CG 4.3Å; P14-N173 HydrophobicContact CB-CB 3.89Å; P14-N173 HydrophobicContact CG-CB 4.34Å
15R97.5Very high97.1Very high230 Ų23054 Ų5487%0.86828%0.279SS*.THydrogen-bonded Turntrans-104.92.1175.3-60.7-176.8-178.3174.10.3113S13S13-R15 PolarHBondContact O-N 3.35Å; S13-R15 PolarHBondContact OG-N 3.41Å; S13-R15 VanDerWaalsContact OG-N 3.15Å
16R97.6Very high97.1Very high54 Ų5449.2 Ų49.220%0.20425%0.254CS..SBendtrans-59.7141.5177.4-174.862.8152179.2-14.8110.3E12 S13 F20 R23E12-R16 IonicContact OE1-CZ 3.19Å; E12-R16 IonicContact OE1-NE 3.79Å; E12-R16 IonicContact OE1-NH2 3.56Å; E12-R16 PolarHBondContact OE1-NH2 3.24Å; E12-R16 VanDerWaalsContact OE2-CD 3.29Å; E12-R16 WeakPolarHBondContact OE2-CD 3.47Å; E12-R16 VanDerWaalsContact OE2-CG 3.25Å; E12-R16 WeakPolarHBondContact OE2-CG 3.42Å; E12-R16 IonicContact OE2-CZ 3.97Å; E12-R16 IonicContact OE2-NE 3.68Å; E12-R16 PolarHBondContact OE2-NE 3.46Å; E12-R16 IonicContact OE2-NH2 3.12Å; E12-R16 PolarHBondContact OE2-NH2 2.89Å; S13-R16 VanDerWaalsContact O-CB 3.25Å; S13-R16 WeakPolarHBondContact O-CB 3.37Å; S13-R16 PolarHBondContact O-N 3.15Å; R16-F20 HydrophobicContact CG-CB 3.91Å; R16-F20 HydrophobicContact CG-CD2 4.16Å; R16-F20 HydrophobicContact CG-CG 4.31Å; R16-R23 HydrophobicContact CB-CB 4.09Å; R16-R23 HydrophobicContact CG-CB 4.11Å; R16-R23 WeakPolarHBondContact O-CG 3.46Å; R16-R23 PolarHBondContact O-NH1 2.7Å
17G95Very high97.1Very high36 Ų3649.2 Ų49.237%0.37124%0.241SC..  trans-56.8140.7174.400000111.6T19 F20 R23G17-T19 PolarHBondContact O-N 3.45Å; G17-F20 PolarHBondContact O-N 3.02Å; G17-R23 WeakPolarHBondContact O-CB 3.19Å
18E93.3Very high97.1Very high86 Ų8645.2 Ų45.240%0.40222%0.222SC..THydrogen-bonded Turntrans-63.2-26.7-167-65.8-176.9173.500114.7K24 R27E18-K24 PolarHBondContact O-N 2.67Å; E18-R27 VanDerWaalsContact CB-NH1 3.28Å; E18-R27 IonicContact OE1-CZ 2.88Å; E18-R27 IonicContact OE1-NE 3.45Å; E18-R27 IonicContact OE1-NH1 2.71Å; E18-R27 IonicContact OE1-NH2 2.96Å; E18-R27 PolarHBondContact OE1-NH2 3.14Å; E18-R27 IonicContact OE2-CZ 3.24Å; E18-R27 IonicContact OE2-NH1 2.74Å; E18-R27 PolarHBondContact OE2-NH1 3.23Å; E18-R27 IonicContact OE2-NH2 2.87Å; E18-R27 PolarHBondContact OE2-NH2 3.17Å
19T90.3Very high97Very high102 Ų10243.3 Ų43.363%0.62621%0.211SC*.THydrogen-bonded Turntrans-85.8-9.7-176.462.50000113.4G17 E196G17-T19 PolarHBondContact O-N 3.45Å; T19-E196 WeakPolarHBondContact CA-OE1 3.22Å; T19-E196 WeakPolarHBondContact CG2-OE1 3.41Å
20F95Very high97Very high94 Ų9441.5 Ų41.541%0.41220%0.203SC..SBendtrans-75.5139.1173.4-70.5-80.2000110.1R16 G17 T22 R23 K24R16-F20 HydrophobicContact CG-CB 3.91Å; R16-F20 HydrophobicContact CG-CD2 4.16Å; R16-F20 HydrophobicContact CG-CG 4.31Å; G17-F20 PolarHBondContact O-N 3.02Å; F20-T22 VanDerWaalsContact C-N 3.28Å; F20-T22 PolarHBondContact O-N 3.09Å; F20-R23 PolarHBondContact O-N 3.39Å; F20-K24 WeakPolarHBondContact O-CB 3.36Å; F20-K24 PolarHBondContact O-N 3.3Å
21V96.4Very high97Very high50 Ų5039.9 Ų39.930%0.30320%0.195SC..Hα-helixtrans-49.9-42.2-168.367.80000114.4K24 I25 L42 W51 V83V21-K24 PolarHBondContact O-N 3.25Å; V21-I25 HydrophobicContact CG2-CD1 3.83Å; V21-I25 HydrophobicContact CG2-CG1 4.45Å; V21-I25 WeakPolarHBondContact O-CB 3.45Å; V21-I25 VanDerWaalsContact O-CD1 3.32Å; V21-I25 WeakPolarHBondContact O-CD1 3.44Å; V21-I25 WeakPolarHBondContact O-CG1 3.36Å; V21-I25 PolarHBondContact O-N 2.81Å; V21-L42 HydrophobicContact CG2-CD2 4.15Å; V21-W51 HydrophobicContact CG1-CZ2 4.11Å; V21-V83 HydrophobicContact CG2-CG1 3.87Å; V21-V83 HydrophobicContact CG2-CG2 4.14Å
22T98Very high97Very high0 Ų037.6 Ų37.60%018%0.184CC..Hα-helixtrans-64.3-47.8-179.351.60000111.7E12 F20 I25 T26 W51 F86E12-T22 HydrophobicContact CG-CG2 3.88Å; E12-T22 PolarHBondContact OE2-OG1 3.48Å; F20-T22 VanDerWaalsContact C-N 3.28Å; F20-T22 PolarHBondContact O-N 3.09Å; T22-I25 PolarHBondContact O-N 2.88Å; T22-T26 PolarHBondContact O-N 3.31Å; T22-T26 PolarHBondContact O-OG1 3.06Å; T22-W51 HydrophobicContact CG2-CD2 4.29Å; T22-W51 HydrophobicContact CG2-CG 4.48Å; T22-W51 HydrophobicContact CG2-CZ2 3.97Å; T22-F86 HydrophobicContact CG2-CD2 4.02Å; T22-F86 HydrophobicContact CG2-CE1 4.22Å; T22-F86 HydrophobicContact CG2-CE2 3.55Å; T22-F86 HydrophobicContact CG2-CZ 3.67Å
23R97.6Very high97Very high23 Ų2337.5 Ų37.59%0.08718%0.184CC..Hα-helixtrans-72.4-36.7178.8-169.364.1-177.6-88.720112.2P14 R16 G17 F20 I25 T26 R27 M170 N173 D174P14-R23 VanDerWaalsContact C-NH1 3.34Å; P14-R23 PolarHBondContact O-NH1 2.98Å; P14-R23 PolarHBondContact O-NH2 2.9Å; R16-R23 HydrophobicContact CB-CB 4.09Å; R16-R23 HydrophobicContact CG-CB 4.11Å; R16-R23 WeakPolarHBondContact O-CG 3.46Å; R16-R23 PolarHBondContact O-NH1 2.7Å; G17-R23 WeakPolarHBondContact O-CB 3.19Å; F20-R23 PolarHBondContact O-N 3.39Å; R23-I25 VanDerWaalsContact C-N 3.28Å; R23-I25 PolarHBondContact O-N 3.38Å; R23-T26 PolarHBondContact O-N 2.85Å; R23-T26 PolarHBondContact O-OG1 3.45Å; R23-R27 HydrophobicContact CG-CG 4.15Å; R23-R27 VanDerWaalsContact O-CB 3.31Å; R23-R27 WeakPolarHBondContact O-CB 3.18Å; R23-R27 VanDerWaalsContact O-CG 3.25Å; R23-R27 WeakPolarHBondContact O-CG 3.28Å; R23-R27 PolarHBondContact O-N 2.84Å; R23-M170 HydrophobicContact CB-CE 4.32Å; R23-N173 PolarHBondContact NH2-OD1 2.85Å; R23-D174 IonicContact CZ-OD1 3.1Å; R23-D174 VanDerWaalsContact CZ-OD1 3.31Å; R23-D174 IonicContact NE-OD1 3.88Å; R23-D174 PolarHBondContact NE-OD1 2.67Å; R23-D174 IonicContact NE-OD2 3.35Å; R23-D174 PolarHBondContact NE-OD2 3.47Å; R23-D174 VanDerWaalsContact NE-OD2 3.12Å; R23-D174 IonicContact NH2-OD1 2.77Å; R23-D174 PolarHBondContact NH2-OD1 3.44Å
24K96.7Very high97Very high18 Ų1837.7 Ų37.78%0.07818%0.183CC..Hα-helixtrans-55.7-46.9171178.2175.4178.6160.30110.7E18 F20 V21 A28 L40 Y41 L42 Y135 E196E18-K24 PolarHBondContact O-N 2.67Å; F20-K24 WeakPolarHBondContact O-CB 3.36Å; F20-K24 PolarHBondContact O-N 3.3Å; V21-K24 PolarHBondContact O-N 3.25Å; K24-A28 VanDerWaalsContact O-CB 3.22Å; K24-A28 WeakPolarHBondContact O-CB 3.43Å; K24-A28 PolarHBondContact O-N 3.45Å; K24-L40 HydrophobicContact CD-CD1 4.3Å; K24-L40 HydrophobicContact CG-CD1 3.86Å; K24-Y41 WeakPolarHBondContact CE-O 3.37Å; K24-Y41 PolarHBondContact NZ-O 3.46Å; K24-L42 HydrophobicContact CD-CD2 4.45Å; K24-Y135 PolarHBondContact NZ-OH 3.35Å; K24-E196 WeakPolarHBondContact CD-OE2 3.4Å; K24-E196 VanDerWaalsContact CE-OE2 3.24Å; K24-E196 WeakPolarHBondContact CE-OE2 3.18Å; K24-E196 IonicContact NZ-OE2 3.35Å; K24-E196 PolarHBondContact NZ-OE2 2.8Å
25I98.1Very high96.9Very high1 Ų138.8 Ų38.81%0.00520%0.197CC..Hα-helixtrans-61.9-53.7178.1-70.7161.4000111.4V21 T22 R23 R27 A28 I29 L40 L42 V83 F86 V87 A90V21-I25 HydrophobicContact CG2-CD1 3.83Å; V21-I25 HydrophobicContact CG2-CG1 4.45Å; V21-I25 WeakPolarHBondContact O-CB 3.45Å; V21-I25 VanDerWaalsContact O-CD1 3.32Å; V21-I25 WeakPolarHBondContact O-CD1 3.44Å; V21-I25 WeakPolarHBondContact O-CG1 3.36Å; V21-I25 PolarHBondContact O-N 2.81Å; T22-I25 PolarHBondContact O-N 2.88Å; R23-I25 VanDerWaalsContact C-N 3.28Å; R23-I25 PolarHBondContact O-N 3.38Å; I25-R27 PolarHBondContact O-N 2.95Å; I25-A28 PolarHBondContact O-N 2.89Å; I25-I29 HydrophobicContact CG2-CD1 3.54Å; I25-I29 HydrophobicContact CG2-CG1 4.34Å; I25-I29 VanDerWaalsContact O-CB 3.31Å; I25-I29 WeakPolarHBondContact O-CB 3.41Å; I25-I29 WeakPolarHBondContact O-CG1 3.38Å; I25-I29 PolarHBondContact O-N 3.24Å; I25-L40 HydrophobicContact CB-CD2 4.26Å; I25-L40 HydrophobicContact CG1-CD2 3.93Å; I25-L40 HydrophobicContact CG2-CD2 4.41Å; I25-L42 HydrophobicContact CG1-CD1 4.31Å; I25-L42 HydrophobicContact CG1-CD2 4.1Å; I25-V83 HydrophobicContact CD1-CG1 4.08Å; I25-F86 HydrophobicContact CB-CD1 4.22Å; I25-F86 HydrophobicContact CB-CE1 4.38Å; I25-F86 HydrophobicContact CD1-CB 4.4Å; I25-F86 HydrophobicContact CD1-CD1 3.83Å; I25-F86 HydrophobicContact CD1-CG 4.43Å; I25-F86 HydrophobicContact CG2-CD1 3.96Å; I25-F86 HydrophobicContact CG2-CE1 4.3Å; I25-V87 HydrophobicContact CD1-CG2 3.69Å; I25-V87 HydrophobicContact CG1-CG2 3.89Å; I25-V87 HydrophobicContact CG2-CG2 4.04Å; I25-A90 HydrophobicContact CG2-CB 3.91Å
26T98.5Very high96.8Very high0 Ų028.8 Ų28.80%016%0.161CC..Hα-helixtrans-64.9-40-174.554.90000112.3T22 R23 A30 F86 A90 M170 V171 D174T22-T26 PolarHBondContact O-N 3.31Å; T22-T26 PolarHBondContact O-OG1 3.06Å; R23-T26 PolarHBondContact O-N 2.85Å; R23-T26 PolarHBondContact O-OG1 3.45Å; T26-A30 VanDerWaalsContact O-CB 3.26Å; T26-A30 WeakPolarHBondContact O-CB 3.4Å; T26-A30 PolarHBondContact O-N 2.88Å; T26-F86 HydrophobicContact CG2-CE1 3.97Å; T26-F86 HydrophobicContact CG2-CZ 4.48Å; T26-A90 HydrophobicContact CG2-CB 4.42Å; T26-M170 HydrophobicContact CG2-CB 3.82Å; T26-M170 HydrophobicContact CG2-CE 4.25Å; T26-V171 HydrophobicContact CG2-CG2 3.64Å; T26-D174 WeakPolarHBondContact CB-OD2 3.44Å; T26-D174 PolarHBondContact OG1-OD2 3.36Å
27R98Very high96.7Very high39 Ų3928 Ų2815%0.14716%0.159CC..Hα-helixtrans-64.1-51.3175.1-70.8-17874-14620.6112.5E18 R23 I25 I29 A30 N31 D174E18-R27 VanDerWaalsContact CB-NH1 3.28Å; E18-R27 IonicContact OE1-CZ 2.88Å; E18-R27 IonicContact OE1-NE 3.45Å; E18-R27 IonicContact OE1-NH1 2.71Å; E18-R27 IonicContact OE1-NH2 2.96Å; E18-R27 PolarHBondContact OE1-NH2 3.14Å; E18-R27 IonicContact OE2-CZ 3.24Å; E18-R27 IonicContact OE2-NH1 2.74Å; E18-R27 PolarHBondContact OE2-NH1 3.23Å; E18-R27 IonicContact OE2-NH2 2.87Å; E18-R27 PolarHBondContact OE2-NH2 3.17Å; R23-R27 HydrophobicContact CG-CG 4.15Å; R23-R27 VanDerWaalsContact O-CB 3.31Å; R23-R27 WeakPolarHBondContact O-CB 3.18Å; R23-R27 VanDerWaalsContact O-CG 3.25Å; R23-R27 WeakPolarHBondContact O-CG 3.28Å; R23-R27 PolarHBondContact O-N 2.84Å; I25-R27 PolarHBondContact O-N 2.95Å; R27-I29 PolarHBondContact O-N 3.14Å; R27-A30 PolarHBondContact O-N 2.72Å; R27-N31 WeakPolarHBondContact O-CB 3.25Å; R27-N31 PolarHBondContact O-N 3.08Å; R27-D174 HydrophobicContact CG-CB 4.23Å; R27-D174 VanDerWaalsContact CG-CG 3.43Å; R27-D174 WeakPolarHBondContact CG-OD1 3.45Å; R27-D174 WeakPolarHBondContact CG-OD2 3.27Å; R27-D174 PolarHBondContact N-OD2 3.5Å
28A97.5Very high96.7Very high5 Ų530.8 Ų30.84%0.04117%0.174CC..Hα-helixtrans-64.9-43.5-177.600000111.1K24 I25 A30 N31 I32 L40K24-A28 VanDerWaalsContact O-CB 3.22Å; K24-A28 WeakPolarHBondContact O-CB 3.43Å; K24-A28 PolarHBondContact O-N 3.45Å; I25-A28 PolarHBondContact O-N 2.89Å; A28-A30 VanDerWaalsContact C-N 3.33Å; A28-A30 PolarHBondContact O-N 3.29Å; A28-N31 PolarHBondContact O-N 2.77Å; A28-I32 VanDerWaalsContact O-CB 3.3Å; A28-I32 WeakPolarHBondContact O-CB 3.47Å; A28-I32 WeakPolarHBondContact O-CD1 3.47Å; A28-I32 WeakPolarHBondContact O-CG1 3.22Å; A28-I32 PolarHBondContact O-N 3.49Å; A28-L40 HydrophobicContact CB-CB 3.86Å; A28-L40 HydrophobicContact CB-CD1 3.7Å; A28-L40 HydrophobicContact CB-CD2 4.18Å; A28-L40 HydrophobicContact CB-CG 4.1Å
29I98.2Very high96.9Very high1 Ų127.6 Ų27.61%0.00516%0.161CC..Hα-helixtrans-60.6-42.6176.1-73.7176.1000111.2I25 R27 A33 V87 A90 A91 L94I25-I29 HydrophobicContact CG2-CD1 3.54Å; I25-I29 HydrophobicContact CG2-CG1 4.34Å; I25-I29 VanDerWaalsContact O-CB 3.31Å; I25-I29 WeakPolarHBondContact O-CB 3.41Å; I25-I29 WeakPolarHBondContact O-CG1 3.38Å; I25-I29 PolarHBondContact O-N 3.24Å; R27-I29 PolarHBondContact O-N 3.14Å; I29-A33 WeakPolarHBondContact O-CB 3.38Å; I29-A33 PolarHBondContact O-N 3.26Å; I29-V87 HydrophobicContact CD1-CG1 4.28Å; I29-A90 HydrophobicContact CD1-CB 3.71Å; I29-A91 HydrophobicContact CD1-CB 4.26Å; I29-L94 HydrophobicContact CG2-CD1 3.66Å; I29-L94 HydrophobicContact CG2-CG 4.38Å
30A98.4Very high97.2Very high0 Ų023 Ų230%013%0.132CC..Hα-helixtrans-63-44.1175.300000112.5T26 R27 A28 A33 Q34 D174 L175 A178T26-A30 VanDerWaalsContact O-CB 3.26Å; T26-A30 WeakPolarHBondContact O-CB 3.4Å; T26-A30 PolarHBondContact O-N 2.88Å; R27-A30 PolarHBondContact O-N 2.72Å; A28-A30 VanDerWaalsContact C-N 3.33Å; A28-A30 PolarHBondContact O-N 3.29Å; A30-A33 PolarHBondContact O-N 2.96Å; A30-Q34 WeakPolarHBondContact O-CG 3.26Å; A30-Q34 PolarHBondContact O-N 2.96Å; A30-Q34 VanDerWaalsContact O-N 3.14Å; A30-D174 HydrophobicContact CB-CB 3.96Å; A30-L175 HydrophobicContact CB-CB 4.44Å; A30-A178 HydrophobicContact CB-CB 4.05Å
31N97.7Very high97.3Very high8 Ų823 Ų234%0.04313%0.13CC..Hα-helixtrans-66.3-43.6177.9-74.9-19.1000111.9R27 A28 Q34 G35 L36 E37 A178R27-N31 WeakPolarHBondContact O-CB 3.25Å; R27-N31 PolarHBondContact O-N 3.08Å; A28-N31 PolarHBondContact O-N 2.77Å; N31-Q34 CarbonylContact O-C 3.58Å; N31-Q34 PolarHBondContact O-N 2.77Å; N31-Q34 VanDerWaalsContact O-N 3.14Å; N31-G35 PolarHBondContact O-N 2.84Å; N31-L36 HydrophobicContact CB-CB 4.05Å; N31-L36 WeakPolarHBondContact O-CB 3.3Å; N31-L36 PolarHBondContact O-N 2.82Å; N31-E37 HydrophobicContact CB-CB 4Å; N31-E37 HydrophobicContact CB-CG 3.84Å; N31-E37 WeakPolarHBondContact CB-OE1 3.31Å; N31-E37 PolarHBondContact ND2-OE1 2.81Å; N31-A178 WeakPolarHBondContact OD1-CB 3.44Å
32I98Very high97.2Very high2 Ų220.8 Ų20.81%0.0112%0.116CC..Hα-helixtrans-60.8-46.6175.3-69.2164.5000110.5A28 Q34 G35 E37 L40 V122 I128A28-I32 VanDerWaalsContact O-CB 3.3Å; A28-I32 WeakPolarHBondContact O-CB 3.47Å; A28-I32 WeakPolarHBondContact O-CD1 3.47Å; A28-I32 WeakPolarHBondContact O-CG1 3.22Å; A28-I32 PolarHBondContact O-N 3.49Å; I32-Q34 PolarHBondContact O-N 2.73Å; I32-G35 PolarHBondContact O-N 2.96Å; I32-E37 WeakPolarHBondContact CA-O 3.42Å; I32-E37 HydrophobicContact CG1-CB 3.69Å; I32-L40 HydrophobicContact CD1-CB 4.03Å; I32-V122 HydrophobicContact CG2-CG1 3.46Å; I32-V122 VanDerWaalsContact CG2-CG1 3.46Å; I32-I128 HydrophobicContact CD1-CB 4.36Å; I32-I128 HydrophobicContact CG2-CB 4.02Å; I32-I128 HydrophobicContact CG2-CD1 4.34Å; I32-I128 HydrophobicContact CG2-CG2 3.8Å
33A98.5Very high97Very high0 Ų021.2 Ų21.20%012%0.121CC..Hα-helixtrans-56.7-33.2176.200000112.1I29 A30 L94 I96 A119 P120 G121I29-A33 WeakPolarHBondContact O-CB 3.38Å; I29-A33 PolarHBondContact O-N 3.26Å; A30-A33 PolarHBondContact O-N 2.96Å; A33-L94 HydrophobicContact CB-CD1 3.49Å; A33-L94 VanDerWaalsContact CB-CD1 3.49Å; A33-I96 HydrophobicContact CB-CD1 4.22Å; A33-A119 HydrophobicContact CB-CB 3.82Å; A33-A119 CarbonylContact O-C 3.52Å; A33-A119 VanDerWaalsContact O-CA 3.28Å; A33-A119 WeakPolarHBondContact O-CA 3.43Å; A33-P120 WeakPolarHBondContact O-CD 3.43Å; A33-G121 WeakPolarHBondContact O-CA 3.21Å; A33-G121 PolarHBondContact O-N 2.87Å
34Q97.9Very high96.9Very high23 Ų2322 Ų2211%0.10713%0.127CC..THydrogen-bonded Turntrans-92.75.3177.5-62.5-60.9-5800114.4A30 N31 I32 L36 D118 L175 A178 K179A30-Q34 WeakPolarHBondContact O-CG 3.26Å; A30-Q34 PolarHBondContact O-N 2.96Å; A30-Q34 VanDerWaalsContact O-N 3.14Å; N31-Q34 CarbonylContact O-C 3.58Å; N31-Q34 PolarHBondContact O-N 2.77Å; N31-Q34 VanDerWaalsContact O-N 3.14Å; I32-Q34 PolarHBondContact O-N 2.73Å; Q34-L36 VanDerWaalsContact C-N 3.29Å; Q34-L36 HydrophobicContact CB-CD1 4.15Å; Q34-L36 HydrophobicContact CB-CG 4.21Å; Q34-L36 PolarHBondContact O-N 3.39Å; Q34-D118 PolarHBondContact NE2-O 3.33Å; Q34-L175 HydrophobicContact CG-CD1 4.16Å; Q34-A178 HydrophobicContact CB-CB 4.19Å; Q34-A178 HydrophobicContact CG-CB 3.74Å; Q34-K179 HydrophobicContact CG-CG 4.3Å
35G96.3Very high96.8Very high42 Ų4221.3 Ų21.343%0.43312%0.124SC..THydrogen-bonded Turntrans71.820.4178.700000114.4N31 I32N31-G35 PolarHBondContact O-N 2.84Å; I32-G35 PolarHBondContact O-N 2.96Å
36L95.3Very high96.7Very high20 Ų2025.6 Ų25.611%0.10515%0.147CC..SBendtrans-89.3-26.8179.2-62.2172.7000112.3N31 Q34 A178 H181 K185 I193N31-L36 HydrophobicContact CB-CB 4.05Å; N31-L36 WeakPolarHBondContact O-CB 3.3Å; N31-L36 PolarHBondContact O-N 2.82Å; Q34-L36 VanDerWaalsContact C-N 3.29Å; Q34-L36 HydrophobicContact CB-CD1 4.15Å; Q34-L36 HydrophobicContact CB-CG 4.21Å; Q34-L36 PolarHBondContact O-N 3.39Å; L36-A178 HydrophobicContact CD1-CB 4.2Å; L36-A178 WeakPolarHBondContact CD1-O 3.18Å; L36-H181 HydrophobicContact CD1-CB 3.69Å; L36-K185 HydrophobicContact CD2-CD 3.97Å; L36-I193 HydrophobicContact CB-CD1 3.75Å; L36-I193 HydrophobicContact CD1-CD1 3.76Å; L36-I193 HydrophobicContact CD2-CD1 3.87Å; L36-I193 HydrophobicContact CG-CD1 4Å
37E95.3Very high96.6Very high37 Ų3725.8 Ų25.817%0.17315%0.149CC..  trans-130.5158175.8-77.2-178-130.700109.5N31 I32 L195N31-E37 HydrophobicContact CB-CB 4Å; N31-E37 HydrophobicContact CB-CG 3.84Å; N31-E37 WeakPolarHBondContact CB-OE1 3.31Å; N31-E37 PolarHBondContact ND2-OE1 2.81Å; I32-E37 WeakPolarHBondContact CA-O 3.42Å; I32-E37 HydrophobicContact CG1-CB 3.69Å; E37-L195 HydrophobicContact CG-CD2 3.21Å; E37-L195 VanDerWaalsContact OE1-CD2 3.22Å; E37-L195 WeakPolarHBondContact OE1-CD2 3.4Å
38S95.6Very high96.6Very high96 Ų9626.5 Ų26.567%0.67116%0.155SC*.SBendtrans-105.2-31.7179.4560000113.6
39C96.8Very high96.6Very high19 Ų1927.3 Ų27.313%0.12816%0.157CC..  trans-155.1138.3-172-164.70000111.4Y41 I128C39-Y41 HydrophobicContact CB-CE2 4.08Å; C39-I128 WeakPolarHBondContact CA-O 3.14Å
40L97.1Very high96.6Very high4 Ų427.2 Ų27.22%0.02116%0.157CC..EExtended strand (participates in β ladder)trans-94.5121.7169.8166.359000109.2K24 I25 A28 I32 L42 I128 I129 A130K24-L40 HydrophobicContact CD-CD1 4.3Å; K24-L40 HydrophobicContact CG-CD1 3.86Å; I25-L40 HydrophobicContact CB-CD2 4.26Å; I25-L40 HydrophobicContact CG1-CD2 3.93Å; I25-L40 HydrophobicContact CG2-CD2 4.41Å; A28-L40 HydrophobicContact CB-CB 3.86Å; A28-L40 HydrophobicContact CB-CD1 3.7Å; A28-L40 HydrophobicContact CB-CD2 4.18Å; A28-L40 HydrophobicContact CB-CG 4.1Å; I32-L40 HydrophobicContact CD1-CB 4.03Å; L40-L42 HydrophobicContact CD1-CD2 4.04Å; L40-L42 HydrophobicContact CD1-CG 4.21Å; L40-L42 HydrophobicContact CD2-CD1 4.1Å; L40-L42 HydrophobicContact CD2-CD2 4.38Å; L40-L42 HydrophobicContact CD2-CG 4.23Å; L40-L42 HydrophobicContact CG-CD1 4.31Å; L40-L42 HydrophobicContact CG-CD2 4.29Å; L40-L42 HydrophobicContact CG-CG 3.98Å; L40-I128 PolarHBondContact N-O 3.12Å; L40-I129 HydrophobicContact CB-CD1 4.09Å; L40-I129 HydrophobicContact CD2-CD1 3.97Å; L40-I129 HydrophobicContact CG-CD1 4.39Å; L40-I129 WeakPolarHBondContact O-CA 3.49Å; L40-A130 PolarHBondContact O-N 2.91Å
41Y96.3Very high96.6Very high94 Ų9427.5 Ų27.537%0.36916%0.157SC..EExtended strand (participates in β ladder)trans-96.5125.9174.5-62.4-85.9000111.5K24 C39 A130 D132K24-Y41 WeakPolarHBondContact CE-O 3.37Å; K24-Y41 PolarHBondContact NZ-O 3.46Å; C39-Y41 HydrophobicContact CB-CE2 4.08Å; Y41-A130 CarbonylContact C-O 3.6Å; Y41-A130 VanDerWaalsContact CA-O 3.31Å; Y41-A130 WeakPolarHBondContact CA-O 3.44Å; Y41-A130 HydrophobicContact CD1-CB 3.84Å; Y41-A130 HydrophobicContact CE1-CB 3.86Å; Y41-D132 HydrophobicContact CD1-CB 4.15Å
42L95.9Very high96.7Very high4 Ų427.2 Ų27.22%0.02116%0.156CC..EExtended strand (participates in β ladder)trans-123.1163.2-179.9-67.6171.7000111.4V21 K24 I25 L40 M45 V83 V87 I129 A130 V131 D132V21-L42 HydrophobicContact CG2-CD2 4.15Å; K24-L42 HydrophobicContact CD-CD2 4.45Å; I25-L42 HydrophobicContact CG1-CD1 4.31Å; I25-L42 HydrophobicContact CG1-CD2 4.1Å; L40-L42 HydrophobicContact CD1-CD2 4.04Å; L40-L42 HydrophobicContact CD1-CG 4.21Å; L40-L42 HydrophobicContact CD2-CD1 4.1Å; L40-L42 HydrophobicContact CD2-CD2 4.38Å; L40-L42 HydrophobicContact CD2-CG 4.23Å; L40-L42 HydrophobicContact CG-CD1 4.31Å; L40-L42 HydrophobicContact CG-CD2 4.29Å; L40-L42 HydrophobicContact CG-CG 3.98Å; L42-M45 HydrophobicContact CB-CG 4.36Å; L42-M45 HydrophobicContact CD1-CG 4.39Å; L42-M45 HydrophobicContact CD1-SD 4.48Å; L42-V83 HydrophobicContact CD1-CG1 4.13Å; L42-V87 HydrophobicContact CD1-CG2 3.64Å; L42-I129 HydrophobicContact CD1-CG2 4.07Å; L42-A130 PolarHBondContact N-O 2.77Å; L42-V131 CarbonylContact O-C 3.54Å; L42-V131 VanDerWaalsContact O-CA 3.31Å; L42-V131 WeakPolarHBondContact O-CA 3.39Å; L42-D132 PolarHBondContact O-N 3.24Å
43G94.1Very high96.7Very high10 Ų1027.6 Ų27.610%0.10316%0.158CC..SBendtrans-88-123.4168.800000110.6M45G43-M45 PolarHBondContact O-N 3.32Å; G43-M45 VanDerWaalsContact O-N 3.16Å
44N93.8Very high96.7Very high38 Ų3828.5 Ų28.520%0.20317%0.166CC..  trans-69.4107.5179-176.33.2000112.7D46 S47 F136N44-D46 VanDerWaalsContact C-N 3.29Å; N44-D46 PolarHBondContact O-N 3.01Å; N44-D46 PolarHBondContact OD1-N 3.43Å; N44-S47 PolarHBondContact ND2-OG 3.37Å; N44-S47 PolarHBondContact OD1-N 2.56Å; N44-F136 HydrophobicContact CB-CD1 4.21Å; N44-F136 HydrophobicContact CB-CE1 3.81Å; N44-F136 HydrophobicContact CB-CZ 4.42Å
45M95.7Very high96.7Very high4 Ų434.5 Ų34.52%0.0219%0.192CC..THydrogen-bonded Turntrans-75.6-14177.2-67.6-165.5-62.100114.1L42 G43 V83 R84 F100 E107 I129 V131L42-M45 HydrophobicContact CB-CG 4.36Å; L42-M45 HydrophobicContact CD1-CG 4.39Å; L42-M45 HydrophobicContact CD1-SD 4.48Å; G43-M45 PolarHBondContact O-N 3.32Å; G43-M45 VanDerWaalsContact O-N 3.16Å; M45-V83 PolarHBondContact O-N 3.26Å; M45-R84 HydrophobicContact CB-CB 4.32Å; M45-R84 WeakPolarHBondContact O-CB 3.26Å; M45-R84 PolarHBondContact O-N 2.88Å; M45-F100 HydrophobicContact CE-CD1 4.06Å; M45-F100 HydrophobicContact CE-CE1 4.16Å; M45-F100 HydrophobicContact SD-CD1 4.36Å; M45-F100 HydrophobicContact SD-CE1 3.85Å; M45-E107 HydrophobicContact CE-CB 3.8Å; M45-E107 HydrophobicContact CE-CG 3.56Å; M45-E107 WeakPolarHBondContact CE-OE2 3.26Å; M45-I129 HydrophobicContact SD-CG2 3.95Å; M45-V131 HydrophobicContact CE-CG2 3.5Å; M45-V131 VanDerWaalsContact CE-CG2 3.5Å; M45-V131 HydrophobicContact CG-CG2 4.19Å; M45-V131 HydrophobicContact SD-CG2 4.13Å
46D95.9Very high96.8Very high92 Ų9233 Ų3349%0.49217%0.173SC..THydrogen-bonded Turntrans-95.4-2.7-178.3-58.4-38.9000112.9N44 L48 R84N44-D46 VanDerWaalsContact C-N 3.29Å; N44-D46 PolarHBondContact O-N 3.01Å; N44-D46 PolarHBondContact OD1-N 3.43Å; D46-L48 PolarHBondContact O-N 3.37Å; D46-R84 IonicContact OD1-CZ 3.22Å; D46-R84 IonicContact OD1-NE 2.77Å; D46-R84 PolarHBondContact OD1-NE 3.02Å; D46-R84 IonicContact OD1-NH2 3.4Å; D46-R84 PolarHBondContact OD1-NH2 2.83Å; D46-R84 IonicContact OD2-NH2 3.62Å
47S95.9Very high97Very high4 Ų432 Ų323%0.02817%0.168CC..  trans-58.8128.7173.1-78.80000111.7N44 S82 V83N44-S47 PolarHBondContact ND2-OG 3.37Å; N44-S47 PolarHBondContact OD1-N 2.56Å; S47-S82 CarbonylContact O-C 3.55Å; S47-S82 VanDerWaalsContact O-CA 3.27Å; S47-S82 WeakPolarHBondContact O-CA 3.38Å; S47-V83 PolarHBondContact O-N 3.44Å
48L98.1Very high97.1Very high53 Ų5334 Ų3428%0.27718%0.183SC..EExtended strand (participates in β ladder)trans-103.4131.1-176.7-68.2159.6000111.3D46 Q80 Y81 E142 L144D46-L48 PolarHBondContact O-N 3.37Å; L48-Q80 HydrophobicContact CB-CG 4.47Å; L48-Q80 HydrophobicContact CD2-CG 4.5Å; L48-Y81 WeakPolarHBondContact CA-O 3.47Å; L48-E142 PolarHBondContact N-O 3.28Å; L48-L144 PolarHBondContact O-N 3.03Å; L48-L144 VanDerWaalsContact O-N 3.11Å
49R98.2Very high97.2Very high22 Ų2234 Ų348%0.08317%0.171CC..EExtended strand (participates in β ladder)trans-138142.8-179.7-58.9-66.7178.1-91.80.4111.5W51 Q80 Y81 E140 V141 E142 L144R49-W51 HydrophobicContact CB-CD2 3.74Å; R49-W51 VanDerWaalsContact CB-CE2 3.48Å; R49-W51 HydrophobicContact CB-CE3 4.05Å; R49-W51 HydrophobicContact CB-CG 4.36Å; R49-W51 HydrophobicContact CB-CH2 3.9Å; R49-W51 HydrophobicContact CB-CZ2 3.58Å; R49-W51 HydrophobicContact CB-CZ3 4.13Å; R49-W51 HydrophobicContact CG-CH2 4.09Å; R49-W51 HydrophobicContact CG-CZ2 3.63Å; R49-Q80 VanDerWaalsContact O-CA 3.24Å; R49-Q80 WeakPolarHBondContact O-CA 3.38Å; R49-Y81 PolarHBondContact N-O 2.88Å; R49-Y81 PolarHBondContact O-N 3.41Å; R49-E140 IonicContact NH2-OE1 2.65Å; R49-E140 PolarHBondContact NH2-OE1 3.21Å; R49-V141 PolarHBondContact NH1-O 3.29Å; R49-V141 PolarHBondContact NH2-O 3.25Å; R49-E142 PolarHBondContact NH1-O 3.5Å; R49-L144 CarbonylContact C-O 3.59Å
50D98.5Very high97.2Very high0 Ų033.3 Ų33.30%017%0.166CC..  trans-82.5106.8163.2-175.4-37000109.6F9 N10 A76 T77 G78 V79 L144 G146F9-D50 HydrophobicContact CB-CB 4.49Å; F9-D50 HydrophobicContact CD1-CB 3.97Å; N10-D50 WeakPolarHBondContact CB-O 3.35Å; N10-D50 PolarHBondContact N-O 2.79Å; D50-A76 WeakPolarHBondContact OD2-CB 3.32Å; D50-T77 VanDerWaalsContact OD1-CB 3.3Å; D50-T77 WeakPolarHBondContact OD1-CB 3.38Å; D50-T77 WeakPolarHBondContact OD1-CG2 3.44Å; D50-T77 PolarHBondContact OD1-N 3.38Å; D50-T77 PolarHBondContact OD1-OG1 3.28Å; D50-T77 PolarHBondContact OD2-N 3.06Å; D50-T77 PolarHBondContact OD2-OG1 2.96Å; D50-G78 PolarHBondContact OD2-N 3.44Å; D50-V79 VanDerWaalsContact CA-O 3.32Å; D50-V79 WeakPolarHBondContact CA-O 3.46Å; D50-L144 WeakPolarHBondContact CB-O 3.47Å; D50-L144 PolarHBondContact N-O 3.44Å; D50-G146 PolarHBondContact OD2-N 3.35Å
51W98.6Very high97.3Very high5 Ų537.2 Ų37.22%0.01918%0.184CC..EExtended strand (participates in β ladder)trans-109.9115.3-177.7-76.4-61.7000111.6N10 E12 V21 T22 R49 Y81 V83 F86 L163 M166N10-W51 VanDerWaalsContact CB-CD1 3.45Å; N10-W51 HydrophobicContact CB-CG 4.36Å; N10-W51 WeakPolarHBondContact O-CA 3.43Å; E12-W51 HydrophobicContact CG-CG 4.36Å; V21-W51 HydrophobicContact CG1-CZ2 4.11Å; T22-W51 HydrophobicContact CG2-CD2 4.29Å; T22-W51 HydrophobicContact CG2-CG 4.48Å; T22-W51 HydrophobicContact CG2-CZ2 3.97Å; R49-W51 HydrophobicContact CB-CD2 3.74Å; R49-W51 VanDerWaalsContact CB-CE2 3.48Å; R49-W51 HydrophobicContact CB-CE3 4.05Å; R49-W51 HydrophobicContact CB-CG 4.36Å; R49-W51 HydrophobicContact CB-CH2 3.9Å; R49-W51 HydrophobicContact CB-CZ2 3.58Å; R49-W51 HydrophobicContact CB-CZ3 4.13Å; R49-W51 HydrophobicContact CG-CH2 4.09Å; R49-W51 HydrophobicContact CG-CZ2 3.63Å; W51-Y81 VanDerWaalsContact CZ3-O 3.24Å; W51-Y81 WeakPolarHBondContact CZ3-O 3.36Å; W51-V83 HydrophobicContact CH2-CG2 4.19Å; W51-F86 HydrophobicContact CD2-CD2 4.32Å; W51-F86 AromaticContact CE3-CD2 3.98Å; W51-F86 HydrophobicContact CE3-CD2 3.98Å; W51-F86 HydrophobicContact CH2-CB 4.35Å; W51-F86 HydrophobicContact CH2-CD2 4.43Å; W51-F86 HydrophobicContact CZ3-CB 4.19Å; W51-F86 HydrophobicContact CZ3-CD2 4.04Å; W51-L163 HydrophobicContact CB-CD1 4.06Å; W51-M166 HydrophobicContact CB-CE 3.91Å
52G98.4Very high97.3Very high2 Ų240.3 Ų40.32%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-107.9178.2168.300000113.5N10 H11 E12 T77N10-G52 PolarHBondContact O-N 3.36Å; H11-G52 CarbonylContact C-O 3.55Å; H11-G52 WeakPolarHBondContact CA-O 3.37Å; E12-G52 PolarHBondContact N-O 2.93Å; G52-T77 VanDerWaalsContact CA-CG2 3.48Å
53H98.7Very high97.4Very high10 Ų1042.1 Ų42.15%0.04620%0.204CC..EExtended strand (participates in β ladder)trans-93133.3176.5-168.4-94000111.8E12 K55 D56 Y57 I161 M166 E169E12-H53 PolarHBondContact O-CD2 3.38Å; H53-K55 VanDerWaalsContact CE1-CB 3.49Å; H53-K55 WeakPolarHBondContact CE1-CB 3.47Å; H53-K55 WeakPolarHBondContact ND1-CB 3.37Å; H53-K55 PolarHBondContact ND1-N 2.82Å; H53-K55 VanDerWaalsContact ND1-N 3.18Å; H53-K55 PolarHBondContact O-N 3.4Å; H53-K55 VanDerWaalsContact O-N 3.14Å; H53-D56 PolarHBondContact O-N 2.92Å; H53-Y57 VanDerWaalsContact O-CD2 3.26Å; H53-Y57 WeakPolarHBondContact O-CD2 3.44Å; H53-Y57 PolarHBondContact O-N 3.04Å; H53-I161 HydrophobicContact CB-CB 3.71Å; H53-I161 HydrophobicContact CB-CD1 3.91Å; H53-I161 HydrophobicContact CB-CG1 4.39Å; H53-I161 HydrophobicContact CB-CG2 3.79Å; H53-I161 VanDerWaalsContact ND1-CD1 3.26Å; H53-I161 WeakPolarHBondContact ND1-CD1 3.44Å; H53-M166 HydrophobicContact CB-SD 4.34Å; H53-E169 IonicContact CD2-OE2 3.6Å; H53-E169 IonicContact CE1-OE2 3.12Å; H53-E169 IonicContact NE2-OE2 2.82Å; H53-E169 PolarHBondContact NE2-OE2 3.45Å
54A98.5Very high97.5Very high20 Ų2041.9 Ų41.917%0.16520%0.2CC..Hα-helixtrans-58.8-31.9-175.300000113.7E12 D56 Y57 V58E12-A54 PolarHBondContact O-N 3.43Å; A54-D56 VanDerWaalsContact C-N 3.32Å; A54-D56 PolarHBondContact O-N 2.92Å; A54-Y57 PolarHBondContact O-N 2.92Å; A54-V58 WeakPolarHBondContact O-CG2 3.25Å; A54-V58 PolarHBondContact O-N 3.16Å
55K98.2Very high97.7Very high148 Ų14845 Ų4564%0.64322%0.216SC*.Hα-helixtrans-60.1-40.4176.7-171.3-177.5176-172.20112.4H53 Y57 V58 I161H53-K55 VanDerWaalsContact CE1-CB 3.49Å; H53-K55 WeakPolarHBondContact CE1-CB 3.47Å; H53-K55 WeakPolarHBondContact ND1-CB 3.37Å; H53-K55 PolarHBondContact ND1-N 2.82Å; H53-K55 VanDerWaalsContact ND1-N 3.18Å; H53-K55 PolarHBondContact O-N 3.4Å; H53-K55 VanDerWaalsContact O-N 3.14Å; K55-Y57 VanDerWaalsContact C-N 3.33Å; K55-V58 WeakPolarHBondContact O-CG2 3.22Å; K55-I161 HydrophobicContact CB-CD1 4.42Å; K55-I161 HydrophobicContact CD-CD1 4.35Å
56D98.3Very high97.7Very high10 Ų1049.7 Ų49.75%0.05324%0.238CC..Hα-helixtrans-71.8-36.2-179.8-62.2-0.9000109.9H53 A54 K59 M60 W157 E160 I161H53-D56 PolarHBondContact O-N 2.92Å; A54-D56 VanDerWaalsContact C-N 3.32Å; A54-D56 PolarHBondContact O-N 2.92Å; D56-K59 WeakPolarHBondContact O-CB 3.45Å; D56-K59 PolarHBondContact O-N 2.99Å; D56-M60 PolarHBondContact O-N 2.93Å; D56-W157 HydrophobicContact CB-CH2 3.78Å; D56-W157 HydrophobicContact CB-CZ3 3.87Å; D56-E160 PolarHBondContact OD2-N 3.29Å; D56-I161 PolarHBondContact OD2-N 3.03Å
57Y98.5Very high97.8Very high0 Ų048.4 Ų48.40%023%0.229CC..Hα-helixtrans-73.2-37.2-176-78.1-132.7000112L8 F9 H11 H53 A54 K55 K59 M60 Q61 I75 A76 W157L8-Y57 HydrophobicContact CB-CD1 4.07Å; L8-Y57 HydrophobicContact CB-CE1 4.5Å; L8-Y57 HydrophobicContact CD2-CD1 3.96Å; L8-Y57 HydrophobicContact CG-CD1 3.81Å; F9-Y57 WeakPolarHBondContact O-CE1 3.28Å; H11-Y57 HydrophobicContact CB-CD1 3.54Å; H11-Y57 HydrophobicContact CB-CD2 4.12Å; H11-Y57 HydrophobicContact CB-CE1 3.76Å; H11-Y57 HydrophobicContact CB-CE2 4.34Å; H11-Y57 HydrophobicContact CB-CG 3.74Å; H11-Y57 AromaticContact CG-CD1 3.56Å; H11-Y57 AromaticContact CG-CG 3.96Å; H11-Y57 AromaticContact ND1-CD1 3.44Å; H11-Y57 WeakPolarHBondContact ND1-CD1 3.25Å; H11-Y57 AromaticContact ND1-CE1 3.86Å; H53-Y57 VanDerWaalsContact O-CD2 3.26Å; H53-Y57 WeakPolarHBondContact O-CD2 3.44Å; H53-Y57 PolarHBondContact O-N 3.04Å; A54-Y57 PolarHBondContact O-N 2.92Å; K55-Y57 VanDerWaalsContact C-N 3.33Å; Y57-K59 VanDerWaalsContact C-N 3.3Å; Y57-K59 PolarHBondContact O-N 3.1Å; Y57-M60 WeakPolarHBondContact O-CB 3.24Å; Y57-M60 PolarHBondContact O-N 2.86Å; Y57-M60 VanDerWaalsContact O-N 3.1Å; Y57-Q61 PolarHBondContact O-N 3.35Å; Y57-Q61 VanDerWaalsContact O-N 3.13Å; Y57-I75 HydrophobicContact CD1-CB 4.49Å; Y57-I75 HydrophobicContact CD1-CG2 3.79Å; Y57-I75 HydrophobicContact CD2-CG2 4.26Å; Y57-I75 HydrophobicContact CE1-CG2 3.92Å; Y57-I75 WeakPolarHBondContact CE1-O 3.03Å; Y57-I75 HydrophobicContact CE2-CG2 4.35Å; Y57-I75 HydrophobicContact CG-CG2 3.98Å; Y57-A76 WeakPolarHBondContact OH-CA 3.43Å; Y57-W157 AromaticContact CD2-CH2 3.69Å; Y57-W157 HydrophobicContact CD2-CH2 3.69Å; Y57-W157 HydrophobicContact CD2-CZ2 4.22Å; Y57-W157 AromaticContact CE2-CH2 3.69Å; Y57-W157 HydrophobicContact CE2-CH2 3.69Å; Y57-W157 AromaticContact CE2-CZ2 3.79Å; Y57-W157 HydrophobicContact CE2-CZ2 3.79Å
58V97.9Very high97.8Very high78 Ų7857 Ų5747%0.47327%0.269SS..Hα-helixtrans-67.6-30176.8-65.90000112.8A54 K55 M60 Q61 W62A54-V58 WeakPolarHBondContact O-CG2 3.25Å; A54-V58 PolarHBondContact O-N 3.16Å; K55-V58 WeakPolarHBondContact O-CG2 3.22Å; V58-M60 VanDerWaalsContact C-N 3.26Å; V58-M60 PolarHBondContact O-N 3.39Å; V58-Q61 PolarHBondContact O-N 3.07Å; V58-W62 PolarHBondContact O-N 2.8Å
59K97.3Very high97.7Very high98 Ų9860.8 Ų60.843%0.42629%0.285SS..Hα-helixtrans-59-42.8170.5-177.9-173.6177.6-173.30110D56 Y57 W62 M63 E160D56-K59 WeakPolarHBondContact O-CB 3.45Å; D56-K59 PolarHBondContact O-N 2.99Å; Y57-K59 VanDerWaalsContact C-N 3.3Å; Y57-K59 PolarHBondContact O-N 3.1Å; K59-W62 PolarHBondContact O-N 2.66Å; K59-M63 HydrophobicContact CG-CG 4.46Å; K59-M63 HydrophobicContact CG-SD 4.04Å; K59-M63 VanDerWaalsContact O-CG 3.29Å; K59-M63 WeakPolarHBondContact O-CG 3.31Å; K59-M63 PolarHBondContact O-N 2.72Å; K59-E160 IonicContact NZ-OE1 3.41Å; K59-E160 PolarHBondContact NZ-OE1 3.44Å
60M97.6Very high97.7Very high3 Ų362.3 Ų62.32%0.01530%0.298CS..Hα-helixtrans-67.4-37.9178.8-68.1-51.5-52.700113.8D56 Y57 V58 W62 M63 M64 I75 L155 W157D56-M60 PolarHBondContact O-N 2.93Å; Y57-M60 WeakPolarHBondContact O-CB 3.24Å; Y57-M60 PolarHBondContact O-N 2.86Å; Y57-M60 VanDerWaalsContact O-N 3.1Å; V58-M60 VanDerWaalsContact C-N 3.26Å; V58-M60 PolarHBondContact O-N 3.39Å; M60-W62 VanDerWaalsContact C-N 3.27Å; M60-W62 PolarHBondContact O-N 3.19Å; M60-M63 HydrophobicContact CE-CB 4.35Å; M60-M63 PolarHBondContact O-N 3.4Å; M60-M63 HydrophobicContact SD-SD 3.77Å; M60-M64 HydrophobicContact CB-CE 4.32Å; M60-M64 VanDerWaalsContact O-CG 3.29Å; M60-M64 WeakPolarHBondContact O-CG 3.27Å; M60-M64 PolarHBondContact O-N 2.97Å; M60-I75 HydrophobicContact CB-CD1 3.91Å; M60-I75 HydrophobicContact CB-CG1 4.08Å; M60-I75 HydrophobicContact CB-CG2 4.28Å; M60-I75 HydrophobicContact CE-CD1 3.83Å; M60-I75 HydrophobicContact CG-CD1 3.99Å; M60-I75 HydrophobicContact CG-CG2 4.19Å; M60-L155 HydrophobicContact CE-CB 3.57Å; M60-L155 HydrophobicContact CE-CD1 3.39Å; M60-L155 HydrophobicContact CE-CG 4.12Å; M60-W157 HydrophobicContact CE-CB 3.93Å; M60-W157 HydrophobicContact CG-CD2 3.87Å; M60-W157 HydrophobicContact CG-CE3 3.14Å; M60-W157 HydrophobicContact CG-CH2 4.46Å; M60-W157 HydrophobicContact CG-CZ3 3.49Å; M60-W157 VanDerWaalsContact CG-CZ3 3.49Å; M60-W157 HydrophobicContact SD-CB 3.96Å; M60-W157 HydrophobicContact SD-CD2 4.13Å; M60-W157 HydrophobicContact SD-CE3 3.47Å; M60-W157 HydrophobicContact SD-CG 4.37Å; M60-W157 HydrophobicContact SD-CZ3 4.29Å
61Q98.1Very high97.6Very high86 Ų8665 Ų6540%0.40231%0.31SS..Hα-helixtrans-56.4-45.1173.3-64.4169.5-2.300111L8 Y57 V58L8-Q61 HydrophobicContact CD2-CG 3.99Å; Y57-Q61 PolarHBondContact O-N 3.35Å; Y57-Q61 VanDerWaalsContact O-N 3.13Å; V58-Q61 PolarHBondContact O-N 3.07Å
62W97.4Very high97.6Very high160 Ų16068.1 Ų68.161%0.60633%0.328SS*.Hα-helixtrans-65.9-45.4175.3171.876.2000112V58 K59 M60 M64 L65 Q66V58-W62 PolarHBondContact O-N 2.8Å; K59-W62 PolarHBondContact O-N 2.66Å; M60-W62 VanDerWaalsContact C-N 3.27Å; M60-W62 PolarHBondContact O-N 3.19Å; W62-M64 VanDerWaalsContact C-N 3.31Å; W62-M64 PolarHBondContact O-N 3.36Å; W62-L65 PolarHBondContact O-N 3.02Å; W62-Q66 HydrophobicContact CD2-CG 4.11Å; W62-Q66 HydrophobicContact CE3-CG 4.43Å; W62-Q66 HydrophobicContact CH2-CG 4.11Å; W62-Q66 HydrophobicContact CZ2-CG 3.76Å; W62-Q66 HydrophobicContact CZ3-CG 4.43Å; W62-Q66 WeakPolarHBondContact O-CG 3.44Å; W62-Q66 PolarHBondContact O-N 3.21Å; W62-Q66 PolarHBondContact O-NE2 3.49Å
63M96.7Very high97.6Very high42 Ų4268.2 Ų68.221%0.20733%0.327CS..Hα-helixtrans-60.2-37.4-179.2-72.2-178.572.200112.9K59 M60 L65 Q66 Q67 L155K59-M63 HydrophobicContact CG-CG 4.46Å; K59-M63 HydrophobicContact CG-SD 4.04Å; K59-M63 VanDerWaalsContact O-CG 3.29Å; K59-M63 WeakPolarHBondContact O-CG 3.31Å; K59-M63 PolarHBondContact O-N 2.72Å; M60-M63 HydrophobicContact CE-CB 4.35Å; M60-M63 PolarHBondContact O-N 3.4Å; M60-M63 HydrophobicContact SD-SD 3.77Å; M63-L65 VanDerWaalsContact C-N 3.25Å; M63-L65 PolarHBondContact O-N 3.44Å; M63-Q66 PolarHBondContact O-N 2.91Å; M63-Q66 VanDerWaalsContact O-N 3.08Å; M63-Q67 PolarHBondContact O-NE2 3.44Å; M63-L155 HydrophobicContact CE-CB 4.49Å; M63-L155 WeakPolarHBondContact CE-O 3.46Å
64M97.7Very high97.6Very high4 Ų469.7 Ų69.72%0.0234%0.337CS..Hα-helixtrans-58.4-38.7174.9-69.9174.3-157.400111.9Y2 L8 M60 W62 Q66 Q67 F73 I75 L155Y2-M64 PolarHBondContact OH-O 3.07Å; L8-M64 HydrophobicContact CD1-CE 4.41Å; M60-M64 HydrophobicContact CB-CE 4.32Å; M60-M64 VanDerWaalsContact O-CG 3.29Å; M60-M64 WeakPolarHBondContact O-CG 3.27Å; M60-M64 PolarHBondContact O-N 2.97Å; W62-M64 VanDerWaalsContact C-N 3.31Å; W62-M64 PolarHBondContact O-N 3.36Å; M64-Q66 PolarHBondContact O-N 3.36Å; M64-Q67 WeakPolarHBondContact O-CG 3.42Å; M64-Q67 PolarHBondContact O-N 2.86Å; M64-F73 HydrophobicContact CE-CB 3.71Å; M64-F73 HydrophobicContact CE-CG 4.49Å; M64-F73 HydrophobicContact CG-CD2 3.8Å; M64-F73 HydrophobicContact CG-CE2 4.41Å; M64-F73 HydrophobicContact CG-CG 4.5Å; M64-F73 HydrophobicContact SD-CB 4.23Å; M64-F73 HydrophobicContact SD-CD2 4.19Å; M64-I75 HydrophobicContact CE-CD1 3.54Å; M64-I75 HydrophobicContact CE-CG1 3.27Å; M64-L155 HydrophobicContact CG-CD1 3.96Å
65L97.4Very high97.6Very high104 Ų10468.7 Ų68.755%0.54533%0.329SS..THydrogen-bonded Turntrans-74.8-8.3179.5-60.9176.9000113.8Y2 W62 M63Y2-L65 HydrophobicContact CD1-CD2 4.15Å; Y2-L65 HydrophobicContact CE1-CD2 4.15Å; W62-L65 PolarHBondContact O-N 3.02Å; M63-L65 VanDerWaalsContact C-N 3.25Å; M63-L65 PolarHBondContact O-N 3.44Å
66Q96.6Very high97.6Very high102 Ų10261.7 Ų61.748%0.47730%0.298SS..THydrogen-bonded Turntrans-92-2.8178.3-49.1-41.4-68.400112.8W62 M63 M64W62-Q66 HydrophobicContact CD2-CG 4.11Å; W62-Q66 HydrophobicContact CE3-CG 4.43Å; W62-Q66 HydrophobicContact CH2-CG 4.11Å; W62-Q66 HydrophobicContact CZ2-CG 3.76Å; W62-Q66 HydrophobicContact CZ3-CG 4.43Å; W62-Q66 WeakPolarHBondContact O-CG 3.44Å; W62-Q66 PolarHBondContact O-N 3.21Å; W62-Q66 PolarHBondContact O-NE2 3.49Å; M63-Q66 PolarHBondContact O-N 2.91Å; M63-Q66 VanDerWaalsContact O-N 3.08Å; M64-Q66 PolarHBondContact O-N 3.36Å
67Q96.4Very high97.6Very high66 Ų6662.7 Ų62.731%0.30831%0.305SS..SBendtrans-82.1152.1-175.7-50.9-52.7-60.800111.8Y2 M63 M64 Q69 L155Y2-Q67 WeakPolarHBondContact CE2-O 3.48Å; Y2-Q67 PolarHBondContact OH-O 3.09Å; M63-Q67 PolarHBondContact O-NE2 3.44Å; M64-Q67 WeakPolarHBondContact O-CG 3.42Å; M64-Q67 PolarHBondContact O-N 2.86Å; Q67-Q69 PolarHBondContact O-N 2.99Å; Q67-L155 HydrophobicContact CG-CD2 3.57Å
68E96.2Very high97.6Very high184 Ų18464.3 Ų64.386%0.8632%0.322SS*.SBendtrans-64-38.7179.1-65-174.5172.900112.9
69Q96.2Very high97.6Very high132 Ų13264 Ų6462%0.61732%0.32SS*.SBendtrans-117.7139.3179.8-63.9-60-3600110.7Y2 Q67 E71Y2-Q69 PolarHBondContact OH-O 3.29Å; Q67-Q69 PolarHBondContact O-N 2.99Å; Q69-E71 PolarHBondContact O-N 2.97Å
70P97.5Very high97.6Very high54 Ų5462 Ų6235%0.35131%0.312SS..  trans-68.6128.2175.426.8-31.5000111.1Y2 A3Y2-P70 HydrophobicContact CD1-CB 4.19Å; Y2-P70 HydrophobicContact CD2-CB 4.2Å; Y2-P70 HydrophobicContact CD2-CG 4.43Å; Y2-P70 HydrophobicContact CE1-CB 3.94Å; Y2-P70 HydrophobicContact CE2-CB 3.97Å; Y2-P70 HydrophobicContact CE2-CG 4.4Å; Y2-P70 HydrophobicContact CG-CB 4.3Å; Y2-P70 VanDerWaalsContact CZ-CA 3.41Å; Y2-P70 WeakPolarHBondContact OH-CA 3.35Å; A3-P70 WeakPolarHBondContact O-CB 3.35Å
71E97.6Very high97.6Very high56 Ų5665.6 Ų65.626%0.26233%0.326SS..  trans-143.5146.6177.1-74-168.9-136.200111.1C4 Q69 F73 K150 K154C4-E71 VanDerWaalsContact CB-O 3.26Å; C4-E71 WeakPolarHBondContact CB-O 3.31Å; Q69-E71 PolarHBondContact O-N 2.97Å; E71-F73 HydrophobicContact CB-CD2 4.32Å; E71-F73 HydrophobicContact CB-CE2 3.54Å; E71-F73 HydrophobicContact CB-CZ 3.81Å; E71-F73 WeakPolarHBondContact O-CD2 3.49Å; E71-F73 VanDerWaalsContact O-CE2 3.31Å; E71-F73 WeakPolarHBondContact O-CE2 3.49Å; E71-K150 WeakPolarHBondContact OE2-CE 3.45Å; E71-K150 IonicContact OE2-NZ 2.8Å; E71-K150 PolarHBondContact OE2-NZ 3.43Å; E71-K154 IonicContact OE1-NZ 2.81Å; E71-K154 PolarHBondContact OE1-NZ 2.81Å; E71-K154 IonicContact OE2-NZ 3.66Å; E71-K154 PolarHBondContact OE2-NZ 2.71Å
72D98.4Very high97.6Very high72 Ų7262.1 Ų62.139%0.38531%0.312SS..  trans-84.7142174.2-60.7-16.5000110.6N5 K150N5-D72 HydrophobicContact CB-CB 4.28Å; N5-D72 WeakPolarHBondContact CB-OD1 3.34Å; N5-D72 PolarHBondContact N-OD1 3.35Å; N5-D72 PolarHBondContact ND2-OD1 3.26Å; N5-D72 PolarHBondContact ND2-OD2 3.11Å; N5-D72 VanDerWaalsContact O-CA 3.3Å; N5-D72 WeakPolarHBondContact O-CA 3.27Å; D72-K150 PolarHBondContact O-NZ 3.45Å
73F98.5Very high97.6Very high3 Ų354.9 Ų54.91%0.01329%0.285CS..EExtended strand (participates in β ladder)trans-136.5134.1-176.4-68.3-85.8000111.9N5 I7 M64 E71 I75 K150 A151 K154 L155N5-F73 PolarHBondContact O-N 3.15Å; N5-F73 VanDerWaalsContact O-N 3.11Å; I7-F73 PolarHBondContact N-O 2.94Å; M64-F73 HydrophobicContact CE-CB 3.71Å; M64-F73 HydrophobicContact CE-CG 4.49Å; M64-F73 HydrophobicContact CG-CD2 3.8Å; M64-F73 HydrophobicContact CG-CE2 4.41Å; M64-F73 HydrophobicContact CG-CG 4.5Å; M64-F73 HydrophobicContact SD-CB 4.23Å; M64-F73 HydrophobicContact SD-CD2 4.19Å; E71-F73 HydrophobicContact CB-CD2 4.32Å; E71-F73 HydrophobicContact CB-CE2 3.54Å; E71-F73 HydrophobicContact CB-CZ 3.81Å; E71-F73 WeakPolarHBondContact O-CD2 3.49Å; E71-F73 VanDerWaalsContact O-CE2 3.31Å; E71-F73 WeakPolarHBondContact O-CE2 3.49Å; F73-I75 HydrophobicContact CB-CD1 4.35Å; F73-K150 HydrophobicContact CD1-CD 3.99Å; F73-K150 HydrophobicContact CD1-CG 3.95Å; F73-K150 HydrophobicContact CE1-CD 4.08Å; F73-K150 HydrophobicContact CE1-CG 3.89Å; F73-A151 HydrophobicContact CB-CB 4.41Å; F73-A151 HydrophobicContact CD1-CB 4.06Å; F73-K154 HydrophobicContact CE1-CB 4Å; F73-K154 HydrophobicContact CE1-CD 4.08Å; F73-K154 HydrophobicContact CZ-CB 4.36Å; F73-K154 HydrophobicContact CZ-CD 4.23Å; F73-L155 HydrophobicContact CD1-CD1 3.85Å; F73-L155 HydrophobicContact CD1-CG 4.35Å; F73-L155 HydrophobicContact CD2-CD1 3.89Å; F73-L155 HydrophobicContact CE1-CD1 3.86Å; F73-L155 HydrophobicContact CE1-CD2 4.45Å; F73-L155 HydrophobicContact CE1-CG 3.93Å; F73-L155 HydrophobicContact CE2-CD1 3.9Å; F73-L155 HydrophobicContact CE2-CD2 4.42Å; F73-L155 HydrophobicContact CE2-CG 4.45Å; F73-L155 HydrophobicContact CG-CD1 3.86Å; F73-L155 HydrophobicContact CZ-CD1 3.89Å; F73-L155 HydrophobicContact CZ-CD2 4.04Å; F73-L155 HydrophobicContact CZ-CG 4Å
74V98.6Very high97.7Very high41 Ų4154.6 Ų54.625%0.24828%0.281CS..EExtended strand (participates in β ladder)trans-77.4126.3164.4171.70000108.9I7 F9 A76 D147 A151I7-V74 HydrophobicContact CB-CG2 4.26Å; I7-V74 HydrophobicContact CD1-CG2 4.39Å; I7-V74 HydrophobicContact CG2-CG2 4.41Å; I7-V74 WeakPolarHBondContact O-CA 3.32Å; F9-V74 HydrophobicContact CD2-CG1 3.97Å; F9-V74 HydrophobicContact CE2-CG1 3.68Å; V74-A76 HydrophobicContact CG1-CB 4.15Å; V74-D147 WeakPolarHBondContact CG1-O 3.36Å; V74-A151 WeakPolarHBondContact O-CB 3.46Å
75I98.7Very high97.7Very high0 Ų058 Ų580%030%0.297CS..EExtended strand (participates in β ladder)trans-118.1114173.2-55.1-60.3000108.1I7 L8 F9 Y57 M60 M64 F73 A151 W157I7-I75 PolarHBondContact O-N 3.47Å; L8-I75 HydrophobicContact CD1-CB 4.05Å; L8-I75 HydrophobicContact CD1-CG1 3.95Å; L8-I75 HydrophobicContact CG-CB 4.01Å; L8-I75 HydrophobicContact CG-CG1 4.43Å; L8-I75 HydrophobicContact CG-CG2 4.48Å; F9-I75 PolarHBondContact N-O 2.95Å; Y57-I75 HydrophobicContact CD1-CB 4.49Å; Y57-I75 HydrophobicContact CD1-CG2 3.79Å; Y57-I75 HydrophobicContact CD2-CG2 4.26Å; Y57-I75 HydrophobicContact CE1-CG2 3.92Å; Y57-I75 WeakPolarHBondContact CE1-O 3.03Å; Y57-I75 HydrophobicContact CE2-CG2 4.35Å; Y57-I75 HydrophobicContact CG-CG2 3.98Å; M60-I75 HydrophobicContact CB-CD1 3.91Å; M60-I75 HydrophobicContact CB-CG1 4.08Å; M60-I75 HydrophobicContact CB-CG2 4.28Å; M60-I75 HydrophobicContact CE-CD1 3.83Å; M60-I75 HydrophobicContact CG-CD1 3.99Å; M60-I75 HydrophobicContact CG-CG2 4.19Å; M64-I75 HydrophobicContact CE-CD1 3.54Å; M64-I75 HydrophobicContact CE-CG1 3.27Å; F73-I75 HydrophobicContact CB-CD1 4.35Å; I75-A151 HydrophobicContact CD1-CB 3.57Å; I75-W157 HydrophobicContact CD1-CG 4.46Å; I75-W157 HydrophobicContact CG2-CD2 4.28Å; I75-W157 HydrophobicContact CG2-CH2 4.03Å; I75-W157 HydrophobicContact CG2-CZ2 3.74Å; I75-W157 HydrophobicContact CG2-CZ3 4.44Å
76A98.6Very high97.7Very high0 Ų053 Ų530%027%0.271CS..  trans-154.8164-172.800000109.8F9 D50 Y57 V74 P148 W157F9-A76 HydrophobicContact CB-CB 3.94Å; F9-A76 HydrophobicContact CD2-CB 3.78Å; F9-A76 HydrophobicContact CE2-CB 4.47Å; F9-A76 HydrophobicContact CG-CB 3.81Å; D50-A76 WeakPolarHBondContact OD2-CB 3.32Å; Y57-A76 WeakPolarHBondContact OH-CA 3.43Å; V74-A76 HydrophobicContact CG1-CB 4.15Å; A76-P148 HydrophobicContact CB-CB 4.46Å; A76-P148 WeakPolarHBondContact O-CG 3.38Å; A76-W157 PolarHBondContact O-NE1 2.84Å
77T98.4Very high97.8Very high32 Ų3248.1 Ų48.120%0.19625%0.249CC..  trans-82.8-23.7174.469.40000112.7D50 G52 V79 P159D50-T77 VanDerWaalsContact OD1-CB 3.3Å; D50-T77 WeakPolarHBondContact OD1-CB 3.38Å; D50-T77 WeakPolarHBondContact OD1-CG2 3.44Å; D50-T77 PolarHBondContact OD1-N 3.38Å; D50-T77 PolarHBondContact OD1-OG1 3.28Å; D50-T77 PolarHBondContact OD2-N 3.06Å; D50-T77 PolarHBondContact OD2-OG1 2.96Å; G52-T77 VanDerWaalsContact CA-CG2 3.48Å; T77-V79 VanDerWaalsContact C-N 3.31Å; T77-V79 PolarHBondContact OG1-N 2.95Å; T77-V79 PolarHBondContact OG1-O 3.19Å; T77-V79 VanDerWaalsContact OG1-O 3.11Å; T77-P159 HydrophobicContact CG2-CB 4.27Å; T77-P159 HydrophobicContact CG2-CG 4.47Å
78G97.8Very high98Very high34 Ų3448.9 Ų48.935%0.35125%0.252SS..SBendtrans80.89.8-174.100000113.8D50 G146D50-G78 PolarHBondContact OD2-N 3.44Å; G78-G146 WeakPolarHBondContact CA-O 3.16Å
79V97.4Very high98.1Very high72 Ų7241.4 Ų41.444%0.43622%0.217SC..  trans-135.3140.8178.2-168.70000109D50 T77 Y81D50-V79 VanDerWaalsContact CA-O 3.32Å; D50-V79 WeakPolarHBondContact CA-O 3.46Å; T77-V79 VanDerWaalsContact C-N 3.31Å; T77-V79 PolarHBondContact OG1-N 2.95Å; T77-V79 PolarHBondContact OG1-O 3.19Å; T77-V79 VanDerWaalsContact OG1-O 3.11Å; V79-Y81 HydrophobicContact CB-CE2 4.3Å; V79-Y81 HydrophobicContact CG1-CD2 4.42Å; V79-Y81 HydrophobicContact CG1-CE2 3.62Å
80Q97.2Very high98.2Very high56 Ų5635.1 Ų35.126%0.26219%0.188SC..  trans-121.7153.2179.265.6178.212.600112.7L48 R49 T143 L145L48-Q80 HydrophobicContact CB-CG 4.47Å; L48-Q80 HydrophobicContact CD2-CG 4.5Å; R49-Q80 VanDerWaalsContact O-CA 3.24Å; R49-Q80 WeakPolarHBondContact O-CA 3.38Å; Q80-T143 PolarHBondContact OE1-OG1 3.36Å; Q80-L145 HydrophobicContact CB-CD1 4.11Å; Q80-L145 HydrophobicContact CG-CD1 4.3Å
81Y98.4Very high98.3Very high77 Ų7732.5 Ų32.530%0.30217%0.171SC..EExtended strand (participates in β ladder)trans-137154.4177-64.3-95.5000110.1L48 R49 W51 V79 Q85 M89 L163L48-Y81 WeakPolarHBondContact CA-O 3.47Å; R49-Y81 PolarHBondContact N-O 2.88Å; R49-Y81 PolarHBondContact O-N 3.41Å; W51-Y81 VanDerWaalsContact CZ3-O 3.24Å; W51-Y81 WeakPolarHBondContact CZ3-O 3.36Å; V79-Y81 HydrophobicContact CB-CE2 4.3Å; V79-Y81 HydrophobicContact CG1-CD2 4.42Å; V79-Y81 HydrophobicContact CG1-CE2 3.62Å; Y81-Q85 VanDerWaalsContact CA-OE1 3.27Å; Y81-Q85 HydrophobicContact CD1-CB 4.48Å; Y81-M89 HydrophobicContact CD1-CE 4.21Å; Y81-L163 HydrophobicContact CD1-CD2 3.96Å; Y81-L163 HydrophobicContact CD2-CD2 3.08Å; Y81-L163 HydrophobicContact CD2-CG 4.47Å; Y81-L163 HydrophobicContact CE1-CD2 4.22Å; Y81-L163 HydrophobicContact CE2-CB 4.4Å; Y81-L163 HydrophobicContact CE2-CD2 3.39Å; Y81-L163 HydrophobicContact CG-CD2 3.38Å
82S97.9Very high98.3Very high14 Ų1432.8 Ų32.810%0.09818%0.183CC..EExtended strand (participates in β ladder)trans-80158.217567.70000111.4S47 R84 Q85 F86S47-S82 CarbonylContact O-C 3.55Å; S47-S82 VanDerWaalsContact O-CA 3.27Å; S47-S82 WeakPolarHBondContact O-CA 3.38Å; S82-R84 PolarHBondContact O-N 2.88Å; S82-Q85 PolarHBondContact O-N 3.47Å; S82-Q85 VanDerWaalsContact O-N 3.14Å; S82-Q85 WeakPolarHBondContact OG-CG 3.26Å; S82-Q85 PolarHBondContact OG-N 2.86Å; S82-Q85 VanDerWaalsContact OG-N 3.1Å; S82-F86 PolarHBondContact O-N 3.31Å
83V97.4Very high98.3Very high8 Ų833.3 Ų33.35%0.04818%0.183CC..Hα-helixtrans-54.3-40.7169.4171.10000110.7V21 I25 L42 M45 S47 W51 F86 V87V21-V83 HydrophobicContact CG2-CG1 3.87Å; V21-V83 HydrophobicContact CG2-CG2 4.14Å; I25-V83 HydrophobicContact CD1-CG1 4.08Å; L42-V83 HydrophobicContact CD1-CG1 4.13Å; M45-V83 PolarHBondContact O-N 3.26Å; S47-V83 PolarHBondContact O-N 3.44Å; W51-V83 HydrophobicContact CH2-CG2 4.19Å; V83-F86 WeakPolarHBondContact O-CB 3.48Å; V83-F86 PolarHBondContact O-N 2.92Å; V83-V87 WeakPolarHBondContact O-CG2 3.29Å; V83-V87 PolarHBondContact O-N 3.32Å
84R97.9Very high98.3Very high35 Ų3533.4 Ų33.413%0.13218%0.184CC..Hα-helixtrans-56.7-49.7173.8-176.7-171.6-50.1-71.9-1.1112.8M45 D46 S82 F86 V87 E88 F100 E107M45-R84 HydrophobicContact CB-CB 4.32Å; M45-R84 WeakPolarHBondContact O-CB 3.26Å; M45-R84 PolarHBondContact O-N 2.88Å; D46-R84 IonicContact OD1-CZ 3.22Å; D46-R84 IonicContact OD1-NE 2.77Å; D46-R84 PolarHBondContact OD1-NE 3.02Å; D46-R84 IonicContact OD1-NH2 3.4Å; D46-R84 PolarHBondContact OD1-NH2 2.83Å; D46-R84 IonicContact OD2-NH2 3.62Å; S82-R84 PolarHBondContact O-N 2.88Å; R84-F86 PolarHBondContact O-N 2.9Å; R84-V87 WeakPolarHBondContact O-CB 3.31Å; R84-V87 PolarHBondContact O-N 3.43Å; R84-V87 VanDerWaalsContact O-N 3.14Å; R84-E88 WeakPolarHBondContact O-CG 3.25Å; R84-E88 PolarHBondContact O-N 2.96Å; R84-F100 HydrophobicContact CG-CD2 4.16Å; R84-F100 HydrophobicContact CG-CE1 4.42Å; R84-F100 HydrophobicContact CG-CE2 3.84Å; R84-F100 HydrophobicContact CG-CZ 3.97Å; R84-F100 VanDerWaalsContact NH1-CG 3.35Å; R84-E107 IonicContact CZ-OE1 2.86Å; R84-E107 IonicContact CZ-OE2 2.77Å; R84-E107 IonicContact NH1-OE1 2.68Å; R84-E107 PolarHBondContact NH1-OE1 3.33Å; R84-E107 IonicContact NH1-OE2 3.5Å; R84-E107 PolarHBondContact NH1-OE2 3.47Å; R84-E107 VanDerWaalsContact NH2-CD 3.26Å; R84-E107 IonicContact NH2-OE1 3.68Å; R84-E107 PolarHBondContact NH2-OE1 3.25Å; R84-E107 VanDerWaalsContact NH2-OE1 3.09Å; R84-E107 IonicContact NH2-OE2 3.41Å; R84-E107 PolarHBondContact NH2-OE2 3.49Å
85Q98.4Very high98.3Very high75 Ų7532.1 Ų32.135%0.3518%0.179SC..Hα-helixtrans-60.7-37.2178-74.5172.3-42.800111.3Y81 S82 E88 M89Y81-Q85 VanDerWaalsContact CA-OE1 3.27Å; Y81-Q85 HydrophobicContact CD1-CB 4.48Å; S82-Q85 PolarHBondContact O-N 3.47Å; S82-Q85 VanDerWaalsContact O-N 3.14Å; S82-Q85 WeakPolarHBondContact OG-CG 3.26Å; S82-Q85 PolarHBondContact OG-N 2.86Å; S82-Q85 VanDerWaalsContact OG-N 3.1Å; Q85-E88 PolarHBondContact O-N 2.96Å; Q85-M89 HydrophobicContact CB-CE 4.31Å; Q85-M89 WeakPolarHBondContact O-CB 3.24Å; Q85-M89 WeakPolarHBondContact O-CE 3.24Å; Q85-M89 WeakPolarHBondContact O-CG 3.36Å; Q85-M89 PolarHBondContact O-N 3.26Å
86F98.7Very high98.3Very high0 Ų032.3 Ų32.30%018%0.18CC..Hα-helixtrans-63.2-44.5175.3-161.8-75.3000111.8T22 I25 T26 W51 S82 V83 R84 M89 A90 L163 M166 V167 M170T22-F86 HydrophobicContact CG2-CD2 4.02Å; T22-F86 HydrophobicContact CG2-CE1 4.22Å; T22-F86 HydrophobicContact CG2-CE2 3.55Å; T22-F86 HydrophobicContact CG2-CZ 3.67Å; I25-F86 HydrophobicContact CB-CD1 4.22Å; I25-F86 HydrophobicContact CB-CE1 4.38Å; I25-F86 HydrophobicContact CD1-CB 4.4Å; I25-F86 HydrophobicContact CD1-CD1 3.83Å; I25-F86 HydrophobicContact CD1-CG 4.43Å; I25-F86 HydrophobicContact CG2-CD1 3.96Å; I25-F86 HydrophobicContact CG2-CE1 4.3Å; T26-F86 HydrophobicContact CG2-CE1 3.97Å; T26-F86 HydrophobicContact CG2-CZ 4.48Å; W51-F86 HydrophobicContact CD2-CD2 4.32Å; W51-F86 AromaticContact CE3-CD2 3.98Å; W51-F86 HydrophobicContact CE3-CD2 3.98Å; W51-F86 HydrophobicContact CH2-CB 4.35Å; W51-F86 HydrophobicContact CH2-CD2 4.43Å; W51-F86 HydrophobicContact CZ3-CB 4.19Å; W51-F86 HydrophobicContact CZ3-CD2 4.04Å; S82-F86 PolarHBondContact O-N 3.31Å; V83-F86 WeakPolarHBondContact O-CB 3.48Å; V83-F86 PolarHBondContact O-N 2.92Å; R84-F86 PolarHBondContact O-N 2.9Å; F86-M89 PolarHBondContact O-N 3.45Å; F86-A90 WeakPolarHBondContact O-CB 3.32Å; F86-A90 PolarHBondContact O-N 2.86Å; F86-L163 HydrophobicContact CD2-CD1 4.14Å; F86-L163 HydrophobicContact CE2-CD1 3.94Å; F86-M166 HydrophobicContact CE2-CE 4.28Å; F86-V167 HydrophobicContact CD2-CG2 4.12Å; F86-V167 HydrophobicContact CE1-CG2 4.25Å; F86-V167 HydrophobicContact CE2-CG2 3.63Å; F86-V167 HydrophobicContact CZ-CG2 3.7Å; F86-M170 HydrophobicContact CZ-SD 4.5Å
87V98.6Very high98.3Very high0 Ų038.5 Ų38.50%021%0.207CC..Hα-helixtrans-57.9-48.31741720000111.1I25 I29 L42 V83 R84 M89 A90 A91 L98 F100 I129I25-V87 HydrophobicContact CD1-CG2 3.69Å; I25-V87 HydrophobicContact CG1-CG2 3.89Å; I25-V87 HydrophobicContact CG2-CG2 4.04Å; I29-V87 HydrophobicContact CD1-CG1 4.28Å; L42-V87 HydrophobicContact CD1-CG2 3.64Å; V83-V87 WeakPolarHBondContact O-CG2 3.29Å; V83-V87 PolarHBondContact O-N 3.32Å; R84-V87 WeakPolarHBondContact O-CB 3.31Å; R84-V87 PolarHBondContact O-N 3.43Å; R84-V87 VanDerWaalsContact O-N 3.14Å; V87-M89 PolarHBondContact O-N 2.79Å; V87-A90 PolarHBondContact O-N 2.86Å; V87-A91 VanDerWaalsContact O-CB 3.32Å; V87-A91 WeakPolarHBondContact O-CB 3.42Å; V87-A91 PolarHBondContact O-N 2.68Å; V87-L98 HydrophobicContact CG1-CD1 3.82Å; V87-F100 HydrophobicContact CG1-CZ 4.09Å; V87-I129 HydrophobicContact CG1-CD1 3.61Å; V87-I129 HydrophobicContact CG1-CG1 3.87Å
88E98.7Very high98.4Very high81 Ų8138 Ų3838%0.37920%0.202SC..Hα-helixtrans-60.1-45.5178.7-69.8175148.500111.9R84 Q85 A92 F100R84-E88 WeakPolarHBondContact O-CG 3.25Å; R84-E88 PolarHBondContact O-N 2.96Å; Q85-E88 PolarHBondContact O-N 2.96Å; E88-A92 VanDerWaalsContact O-CB 3.24Å; E88-A92 WeakPolarHBondContact O-CB 3.21Å; E88-A92 PolarHBondContact O-N 2.7Å; E88-F100 HydrophobicContact CG-CE2 3.71Å; E88-F100 HydrophobicContact CG-CZ 4.44Å
89M98.7Very high98.4Very high27 Ų2741 Ų4113%0.13320%0.203CC..Hα-helixtrans-63.1-43.5177.8-75-174.2-7600111.8Y81 Q85 F86 V87 A92 Q93 L163 R164 V167Y81-M89 HydrophobicContact CD1-CE 4.21Å; Q85-M89 HydrophobicContact CB-CE 4.31Å; Q85-M89 WeakPolarHBondContact O-CB 3.24Å; Q85-M89 WeakPolarHBondContact O-CE 3.24Å; Q85-M89 WeakPolarHBondContact O-CG 3.36Å; Q85-M89 PolarHBondContact O-N 3.26Å; F86-M89 PolarHBondContact O-N 3.45Å; V87-M89 PolarHBondContact O-N 2.79Å; M89-A92 PolarHBondContact O-N 3.22Å; M89-Q93 WeakPolarHBondContact O-CG 3.5Å; M89-Q93 PolarHBondContact O-N 3.06Å; M89-L163 HydrophobicContact CE-CD2 3.55Å; M89-L163 HydrophobicContact CE-CG 4.07Å; M89-L163 HydrophobicContact SD-CD2 4.38Å; M89-L163 HydrophobicContact SD-CG 4.49Å; M89-R164 HydrophobicContact SD-CG 4.36Å; M89-V167 HydrophobicContact CB-CG1 4.09Å
90A98.8Very high98.4Very high0 Ų039.5 Ų39.50%019%0.191CC..Hα-helixtrans-67-44.6179.500000112I25 T26 I29 F86 V87 A92 Q93 V167 V171I25-A90 HydrophobicContact CG2-CB 3.91Å; T26-A90 HydrophobicContact CG2-CB 4.42Å; I29-A90 HydrophobicContact CD1-CB 3.71Å; F86-A90 WeakPolarHBondContact O-CB 3.32Å; F86-A90 PolarHBondContact O-N 2.86Å; V87-A90 PolarHBondContact O-N 2.86Å; A90-A92 VanDerWaalsContact C-N 3.32Å; A90-A92 PolarHBondContact O-N 2.98Å; A90-Q93 WeakPolarHBondContact O-CB 3.12Å; A90-Q93 PolarHBondContact O-N 2.82Å; A90-V167 HydrophobicContact CB-CG1 4.11Å; A90-V171 HydrophobicContact CB-CG2 3.82Å
91A98.8Very high98.5Very high0 Ų041.6 Ų41.60%020%0.201CC..Hα-helixtrans-60.9-42.1175.500000111.6I29 V87 Q93 L94 G95 I96 L98I29-A91 HydrophobicContact CD1-CB 4.26Å; V87-A91 VanDerWaalsContact O-CB 3.32Å; V87-A91 WeakPolarHBondContact O-CB 3.42Å; V87-A91 PolarHBondContact O-N 2.68Å; A91-Q93 VanDerWaalsContact C-N 3.27Å; A91-Q93 PolarHBondContact O-N 3.41Å; A91-L94 PolarHBondContact O-N 3.41Å; A91-G95 PolarHBondContact O-N 3.14Å; A91-I96 CarbonylContact C-O 3.21Å; A91-I96 VanDerWaalsContact C-O 3.25Å; A91-I96 HydrophobicContact CB-CB 4.09Å; A91-I96 HydrophobicContact CB-CG2 4.33Å; A91-I96 WeakPolarHBondContact O-CB 3.43Å; A91-I96 PolarHBondContact O-N 3.43Å; A91-L98 HydrophobicContact CB-CD1 3.72Å; A91-L98 HydrophobicContact CB-CG 4.1Å
92A98.7Very high98.4Very high61 Ų6140.2 Ų40.250%0.50421%0.209SC..Hα-helixtrans-63.1-30.2179.100000113.3E88 M89 A90 L94 G95 I96E88-A92 VanDerWaalsContact O-CB 3.24Å; E88-A92 WeakPolarHBondContact O-CB 3.21Å; E88-A92 PolarHBondContact O-N 2.7Å; M89-A92 PolarHBondContact O-N 3.22Å; A90-A92 VanDerWaalsContact C-N 3.32Å; A90-A92 PolarHBondContact O-N 2.98Å; A92-L94 PolarHBondContact O-N 2.93Å; A92-G95 PolarHBondContact O-N 3.18Å; A92-G95 VanDerWaalsContact O-N 3.1Å; A92-I96 PolarHBondContact N-O 3.36Å
93Q98.6Very high98.2Very high84 Ų8445 Ų4539%0.39324%0.239SC..Hα-helixtrans-61.6-27.9173.8-67.8-57.4-6200112.5M89 A90 A91 V167 S168 V171M89-Q93 WeakPolarHBondContact O-CG 3.5Å; M89-Q93 PolarHBondContact O-N 3.06Å; A90-Q93 WeakPolarHBondContact O-CB 3.12Å; A90-Q93 PolarHBondContact O-N 2.82Å; A91-Q93 VanDerWaalsContact C-N 3.27Å; A91-Q93 PolarHBondContact O-N 3.41Å; Q93-V167 HydrophobicContact CG-CG1 4.18Å; Q93-S168 PolarHBondContact OE1-OG 3.04Å; Q93-V171 HydrophobicContact CB-CB 4.16Å; Q93-V171 HydrophobicContact CB-CG1 3.82Å; Q93-V171 HydrophobicContact CB-CG2 4.4Å; Q93-V171 HydrophobicContact CG-CB 4.4Å; Q93-V171 HydrophobicContact CG-CG2 4.43Å
94L98.7Very high97.9Very high5 Ų546.8 Ų46.83%0.02626%0.258CS..THydrogen-bonded Turntrans-97.911.8177.9-55-171.3000112.9I29 A33 A91 A92 I96 D118 V171 L175I29-L94 HydrophobicContact CG2-CD1 3.66Å; I29-L94 HydrophobicContact CG2-CG 4.38Å; A33-L94 HydrophobicContact CB-CD1 3.49Å; A33-L94 VanDerWaalsContact CB-CD1 3.49Å; A91-L94 PolarHBondContact O-N 3.41Å; A92-L94 PolarHBondContact O-N 2.93Å; L94-I96 VanDerWaalsContact C-N 3.25Å; L94-I96 HydrophobicContact CB-CD1 4.22Å; L94-I96 HydrophobicContact CB-CG1 4.3Å; L94-I96 PolarHBondContact O-N 2.87Å; L94-D118 HydrophobicContact CD2-CB 4.25Å; L94-V171 HydrophobicContact CD1-CG1 4.26Å; L94-V171 HydrophobicContact CD2-CG1 3.43Å; L94-V171 VanDerWaalsContact CD2-CG1 3.43Å; L94-V171 HydrophobicContact CG-CG1 3.74Å; L94-L175 HydrophobicContact CD1-CD1 4.45Å; L94-L175 HydrophobicContact CD2-CB 4.36Å; L94-L175 HydrophobicContact CD2-CD1 4.1Å; L94-L175 HydrophobicContact CD2-CD2 3.71Å; L94-L175 HydrophobicContact CD2-CG 4.26Å
95G98.5Very high97.8Very high14 Ų1448.5 Ų48.514%0.14427%0.272CS..THydrogen-bonded Turntrans72.414.6-177.100000114.4A91 A92 V114 T115A91-G95 PolarHBondContact O-N 3.14Å; A92-G95 PolarHBondContact O-N 3.18Å; A92-G95 VanDerWaalsContact O-N 3.1Å; G95-V114 CarbonylContact O-C 3.25Å; G95-V114 WeakPolarHBondContact O-CA 3.34Å; G95-T115 WeakPolarHBondContact CA-O 3.47Å; G95-T115 WeakPolarHBondContact CA-OG1 3.26Å; G95-T115 PolarHBondContact O-N 3.03Å; G95-T115 PolarHBondContact O-OG1 3.25Å
96I98.8Very high97.7Very high3 Ų351 Ų512%0.01528%0.284CS..EExtended strand (participates in β ladder)trans-91.8116178.6-55.6170.4000108.7A33 A91 A92 L94 L98 V111 A119 V122 I128A33-I96 HydrophobicContact CB-CD1 4.22Å; A91-I96 CarbonylContact C-O 3.21Å; A91-I96 VanDerWaalsContact C-O 3.25Å; A91-I96 HydrophobicContact CB-CB 4.09Å; A91-I96 HydrophobicContact CB-CG2 4.33Å; A91-I96 WeakPolarHBondContact O-CB 3.43Å; A91-I96 PolarHBondContact O-N 3.43Å; A92-I96 PolarHBondContact N-O 3.36Å; L94-I96 VanDerWaalsContact C-N 3.25Å; L94-I96 HydrophobicContact CB-CD1 4.22Å; L94-I96 HydrophobicContact CB-CG1 4.3Å; L94-I96 PolarHBondContact O-N 2.87Å; I96-L98 HydrophobicContact CG2-CD2 4.01Å; I96-L98 HydrophobicContact CG2-CG 4.3Å; I96-V111 HydrophobicContact CG2-CG1 4.18Å; I96-V111 HydrophobicContact CG2-CG2 4.03Å; I96-A119 HydrophobicContact CD1-CB 3.85Å; I96-A119 HydrophobicContact CG1-CB 3.78Å; I96-V122 HydrophobicContact CD1-CG2 3.93Å; I96-V122 HydrophobicContact CG1-CG2 4.12Å; I96-I128 HydrophobicContact CG2-CD1 4.15Å
97K98.8Very high97.7Very high131 Ų13152 Ų5257%0.5729%0.288SS*.EExtended strand (participates in β ladder)trans-93.1127170.2-173.7175.5-179.7176.80109.6V112 S113K97-V112 HydrophobicContact CB-CB 4.38Å; K97-V112 HydrophobicContact CD-CB 4.48Å; K97-V112 HydrophobicContact CD-CG1 4.42Å; K97-V112 HydrophobicContact CG-CB 4.26Å; K97-V112 PolarHBondContact O-N 3.06Å; K97-S113 WeakPolarHBondContact CB-OG 3.41Å; K97-S113 PolarHBondContact N-O 2.95Å
98L98.7Very high97.6Very high20 Ų2056.3 Ų56.311%0.10531%0.307CS..EExtended strand (participates in β ladder)trans-105.3153.7177.9-64.5174.6000111.9V87 A91 I96 F100 I110 V111 I128 I129V87-L98 HydrophobicContact CG1-CD1 3.82Å; A91-L98 HydrophobicContact CB-CD1 3.72Å; A91-L98 HydrophobicContact CB-CG 4.1Å; I96-L98 HydrophobicContact CG2-CD2 4.01Å; I96-L98 HydrophobicContact CG2-CG 4.3Å; L98-F100 HydrophobicContact CB-CE2 4.34Å; L98-F100 HydrophobicContact CD1-CZ 4.45Å; L98-I110 CarbonylContact C-O 3.44Å; L98-I110 WeakPolarHBondContact CA-O 3.33Å; L98-V111 HydrophobicContact CD2-CG2 4.08Å; L98-I128 HydrophobicContact CD2-CD1 3.82Å; L98-I128 HydrophobicContact CD2-CG1 3.81Å; L98-I129 HydrophobicContact CD1-CG1 4.09Å
99R98.4Very high97.6Very high99 Ų9952.5 Ų52.537%0.37429%0.289SS..EExtended strand (participates in β ladder)trans-124.6147158.662.9178.317773-16.7108.5E101 I110 V112R99-E101 IonicContact CZ-OE1 3.09Å; R99-E101 VanDerWaalsContact CZ-OE1 3.24Å; R99-E101 IonicContact CZ-OE2 3.92Å; R99-E101 IonicContact NH1-OE1 2.62Å; R99-E101 PolarHBondContact NH1-OE1 3.47Å; R99-E101 IonicContact NH1-OE2 2.83Å; R99-E101 PolarHBondContact NH1-OE2 2.92Å; R99-E101 IonicContact NH2-OE1 3.14Å; R99-E101 IonicContact NH2-OE2 2.91Å; R99-I110 HydrophobicContact CG-CB 4.09Å; R99-I110 PolarHBondContact N-O 3.4Å; R99-I110 PolarHBondContact O-N 2.94Å; R99-V112 HydrophobicContact CB-CG2 3.62Å; R99-V112 HydrophobicContact CG-CG2 3.49Å; R99-V112 VanDerWaalsContact CG-CG2 3.49Å
100F98.3Very high97.6Very high39 Ų3951.9 Ų51.917%0.17129%0.287CS..EExtended strand (participates in β ladder)trans-105135.1175.5-68.4-92.2000110.3M45 R84 V87 E88 L98 K108 I129M45-F100 HydrophobicContact CE-CD1 4.06Å; M45-F100 HydrophobicContact CE-CE1 4.16Å; M45-F100 HydrophobicContact SD-CD1 4.36Å; M45-F100 HydrophobicContact SD-CE1 3.85Å; R84-F100 HydrophobicContact CG-CD2 4.16Å; R84-F100 HydrophobicContact CG-CE1 4.42Å; R84-F100 HydrophobicContact CG-CE2 3.84Å; R84-F100 HydrophobicContact CG-CZ 3.97Å; R84-F100 VanDerWaalsContact NH1-CG 3.35Å; V87-F100 HydrophobicContact CG1-CZ 4.09Å; E88-F100 HydrophobicContact CG-CE2 3.71Å; E88-F100 HydrophobicContact CG-CZ 4.44Å; L98-F100 HydrophobicContact CB-CE2 4.34Å; L98-F100 HydrophobicContact CD1-CZ 4.45Å; F100-K108 VanDerWaalsContact CA-O 3.28Å; F100-K108 WeakPolarHBondContact CA-O 3.26Å; F100-I129 HydrophobicContact CE1-CG2 4.43Å
101E98Very high97.6Very high101 Ų10152 Ų5247%0.47229%0.287SS..EExtended strand (participates in β ladder)trans-133.9147175.8-79.5-178.2179.100110.2R99 E107 K108 I110R99-E101 IonicContact CZ-OE1 3.09Å; R99-E101 VanDerWaalsContact CZ-OE1 3.24Å; R99-E101 IonicContact CZ-OE2 3.92Å; R99-E101 IonicContact NH1-OE1 2.62Å; R99-E101 PolarHBondContact NH1-OE1 3.47Å; R99-E101 IonicContact NH1-OE2 2.83Å; R99-E101 PolarHBondContact NH1-OE2 2.92Å; R99-E101 IonicContact NH2-OE1 3.14Å; R99-E101 IonicContact NH2-OE2 2.91Å; E101-E107 CarbonylContact O-C 3.56Å; E101-E107 WeakPolarHBondContact O-CA 3.18Å; E101-K108 PolarHBondContact N-O 3.37Å; E101-K108 PolarHBondContact O-N 3.41Å; E101-I110 HydrophobicContact CB-CD1 4.32Å; E101-I110 WeakPolarHBondContact OE2-CD1 3.48Å
102G96.9Very high97.6Very high47 Ų4754.9 Ų54.949%0.48531%0.305SS..SBendtrans91.4-176.9-172.900000112.3
103T93.8Very high97.6Very high116 Ų11653.9 Ų53.971%0.71229%0.294SS*.  trans-143.2149178.4560000110.1V105 E106T103-V105 PolarHBondContact O-N 2.91Å; T103-E106 PolarHBondContact O-N 3.04Å; T103-E106 VanDerWaalsContact O-N 3.14Å
104G92Very high97.6Very high44 Ų4452 Ų5245%0.45429%0.288SS..G310 helixtrans55.7-126.417900000112E106 E107 V131G104-E106 VanDerWaalsContact C-N 3.26Å; G104-E106 PolarHBondContact O-N 2.84Å; G104-E107 WeakPolarHBondContact O-CB 3.28Å; G104-E107 PolarHBondContact O-N 2.88Å; G104-V131 WeakPolarHBondContact O-CG2 3.38Å
105V95.2Very high97.6Very high71 Ų7156.1 Ų56.143%0.4331%0.314SS..G310 helixtrans-70.3-19.7-177.3-600000114.1T103 E107 V131 P133 F136T103-V105 PolarHBondContact O-N 2.91Å; V105-E107 VanDerWaalsContact C-N 3.31Å; V105-V131 HydrophobicContact CG1-CG1 4.46Å; V105-P133 HydrophobicContact CB-CG 4.38Å; V105-P133 HydrophobicContact CG1-CG 3.88Å; V105-F136 HydrophobicContact CG1-CE2 4.46Å
106E96.4Very high97.5Very high128 Ų12858.9 Ų58.960%0.59834%0.343SS*.G310 helixtrans-89.3-1.8178.3-63.3-56.7138.100112.6T103 G104T103-E106 PolarHBondContact O-N 3.04Å; T103-E106 VanDerWaalsContact O-N 3.14Å; G104-E106 VanDerWaalsContact C-N 3.26Å; G104-E106 PolarHBondContact O-N 2.84Å
107E97.5Very high97.4Very high20 Ų2066.1 Ų66.19%0.09338%0.376CS..  trans-73.1136.8-176.8-164.1172.7-165.500112.7M45 R84 E101 G104 V105 V131M45-E107 HydrophobicContact CE-CB 3.8Å; M45-E107 HydrophobicContact CE-CG 3.56Å; M45-E107 WeakPolarHBondContact CE-OE2 3.26Å; R84-E107 IonicContact CZ-OE1 2.86Å; R84-E107 IonicContact CZ-OE2 2.77Å; R84-E107 IonicContact NH1-OE1 2.68Å; R84-E107 PolarHBondContact NH1-OE1 3.33Å; R84-E107 IonicContact NH1-OE2 3.5Å; R84-E107 PolarHBondContact NH1-OE2 3.47Å; R84-E107 VanDerWaalsContact NH2-CD 3.26Å; R84-E107 IonicContact NH2-OE1 3.68Å; R84-E107 PolarHBondContact NH2-OE1 3.25Å; R84-E107 VanDerWaalsContact NH2-OE1 3.09Å; R84-E107 IonicContact NH2-OE2 3.41Å; R84-E107 PolarHBondContact NH2-OE2 3.49Å; E101-E107 CarbonylContact O-C 3.56Å; E101-E107 WeakPolarHBondContact O-CA 3.18Å; G104-E107 WeakPolarHBondContact O-CB 3.28Å; G104-E107 PolarHBondContact O-N 2.88Å; V105-E107 VanDerWaalsContact C-N 3.31Å; E107-V131 HydrophobicContact CB-CG2 4.23Å; E107-V131 PolarHBondContact O-N 2.88Å
108K98.2Very high97.4Very high92 Ų9261.7 Ų61.740%0.436%0.359SS..EExtended strand (participates in β ladder)trans-134.7142.7-175-67.8173.3-172.7174.50111.2F100 E101 V127 I129F100-K108 VanDerWaalsContact CA-O 3.28Å; F100-K108 WeakPolarHBondContact CA-O 3.26Å; E101-K108 PolarHBondContact N-O 3.37Å; E101-K108 PolarHBondContact O-N 3.41Å; K108-V127 HydrophobicContact CB-CG1 3.99Å; K108-V127 HydrophobicContact CD-CG1 4.12Å; K108-V127 HydrophobicContact CG-CG1 4.1Å; K108-I129 WeakPolarHBondContact CA-O 3.32Å
109G98.5Very high97.4Very high0 Ų061 Ų610%036%0.356CS..EExtended strand (participates in β ladder)trans-97.7116.5170.200000110.7I128 I129G109-I128 PolarHBondContact O-N 3.19Å; G109-I129 PolarHBondContact N-O 3.07Å; G109-I129 PolarHBondContact O-N 3.02Å
110I98.8Very high97.3Very high15 Ų1560.9 Ų60.98%0.07737%0.368CS..EExtended strand (participates in β ladder)trans-112133-174.6-65.3159.8000110L98 R99 E101 V112 D126 V127L98-I110 CarbonylContact C-O 3.44Å; L98-I110 WeakPolarHBondContact CA-O 3.33Å; R99-I110 HydrophobicContact CG-CB 4.09Å; R99-I110 PolarHBondContact N-O 3.4Å; R99-I110 PolarHBondContact O-N 2.94Å; E101-I110 HydrophobicContact CB-CD1 4.32Å; E101-I110 WeakPolarHBondContact OE2-CD1 3.48Å; I110-V112 PolarHBondContact O-N 3.47Å; I110-D126 WeakPolarHBondContact CA-O 3.46Å; I110-V127 HydrophobicContact CD1-CG2 4.47Å; I110-V127 HydrophobicContact CG1-CG2 3.84Å
111V98.8Very high97.3Very high2 Ų260.8 Ų60.81%0.01238%0.378CS..EExtended strand (participates in β ladder)trans-68.4120.8177.4-178.50000110I96 L98 V114 K123 P124 G125 D126 I128I96-V111 HydrophobicContact CG2-CG1 4.18Å; I96-V111 HydrophobicContact CG2-CG2 4.03Å; L98-V111 HydrophobicContact CD2-CG2 4.08Å; V111-V114 HydrophobicContact CG1-CG2 3.72Å; V111-K123 WeakPolarHBondContact CB-O 3.38Å; V111-P124 WeakPolarHBondContact O-CA 3.36Å; V111-G125 PolarHBondContact O-N 3.31Å; V111-D126 HydrophobicContact CG2-CB 4.25Å; V111-D126 PolarHBondContact N-O 3.26Å; V111-I128 HydrophobicContact CG2-CD1 4Å; V111-I128 HydrophobicContact CG2-CG1 4.1Å; V111-I128 HydrophobicContact CG2-CG2 3.86Å
112V98.7Very high97.3Very high60 Ų6056.7 Ų56.736%0.36436%0.36SS..EExtended strand (participates in β ladder)trans-88.9-46175.2178.20000110.7K97 R99 I110K97-V112 HydrophobicContact CB-CB 4.38Å; K97-V112 HydrophobicContact CD-CB 4.48Å; K97-V112 HydrophobicContact CD-CG1 4.42Å; K97-V112 HydrophobicContact CG-CB 4.26Å; K97-V112 PolarHBondContact O-N 3.06Å; R99-V112 HydrophobicContact CB-CG2 3.62Å; R99-V112 HydrophobicContact CG-CG2 3.49Å; R99-V112 VanDerWaalsContact CG-CG2 3.49Å; I110-V112 PolarHBondContact O-N 3.47Å
113S98.7Very high97.4Very high40 Ų4060.5 Ų60.528%0.2836%0.363SS..EExtended strand (participates in β ladder)trans-155.1151.9-178.160.50000110.1K97K97-S113 WeakPolarHBondContact CB-OG 3.41Å; K97-S113 PolarHBondContact N-O 2.95Å
114V98.6Very high97.6Very high45 Ų4558.8 Ų58.827%0.27335%0.354SS..EExtended strand (participates in β ladder)trans-120.1128.1171.6-174.70000107.7G95 V111 A119 V122G95-V114 CarbonylContact O-C 3.25Å; G95-V114 WeakPolarHBondContact O-CA 3.34Å; V111-V114 HydrophobicContact CG1-CG2 3.72Å; V114-A119 HydrophobicContact CG1-CB 3.87Å; V114-V122 HydrophobicContact CG1-CG2 4.41Å; V114-V122 HydrophobicContact CG2-CG2 3.86Å
115T98.2Very high97.9Very high91 Ų9159.1 Ų59.156%0.55836%0.357SS*.  trans-120.4154.1174.461.50000110.2G95G95-T115 WeakPolarHBondContact CA-O 3.47Å; G95-T115 WeakPolarHBondContact CA-OG1 3.26Å; G95-T115 PolarHBondContact O-N 3.03Å; G95-T115 PolarHBondContact O-OG1 3.25Å
116G96.9Very high98.1Very high73 Ų7357.5 Ų57.575%0.75335%0.346SS*.SBendtrans76-157-17600000113.1
117H96.6Very high98.2Very high154 Ų15454.4 Ų54.471%0.71334%0.336SS*.SBendtrans-131.23.2-170.856.2-84.3000113.5A119H117-A119 VanDerWaalsContact C-N 3.29Å; H117-A119 PolarHBondContact O-N 3.14Å
118D97.9Very high98.2Very high39 Ų3953.6 Ų53.621%0.20933%0.332CS..SBendtrans-83.3-5.3-177.1-72-42.7000113.8Q34 L94 P120 L175 K179Q34-D118 PolarHBondContact NE2-O 3.33Å; L94-D118 HydrophobicContact CD2-CB 4.25Å; D118-P120 VanDerWaalsContact C-CD 3.41Å; D118-L175 HydrophobicContact CB-CD2 3.96Å; D118-K179 WeakPolarHBondContact OD1-CE 3.15Å; D118-K179 IonicContact OD1-NZ 2.67Å; D118-K179 PolarHBondContact OD1-NZ 2.72Å
119A98.4Very high98.2Very high5 Ų549.2 Ų49.24%0.04131%0.313CS..  trans-129.154.6-176.800000113.8A33 I96 V114 H117 G121 V122A33-A119 HydrophobicContact CB-CB 3.82Å; A33-A119 CarbonylContact O-C 3.52Å; A33-A119 VanDerWaalsContact O-CA 3.28Å; A33-A119 WeakPolarHBondContact O-CA 3.43Å; I96-A119 HydrophobicContact CD1-CB 3.85Å; I96-A119 HydrophobicContact CG1-CB 3.78Å; V114-A119 HydrophobicContact CG1-CB 3.87Å; H117-A119 VanDerWaalsContact C-N 3.29Å; H117-A119 PolarHBondContact O-N 3.14Å; A119-G121 PolarHBondContact O-N 2.8Å; A119-V122 HydrophobicContact CB-CG2 3.6Å; A119-V122 VanDerWaalsContact O-CG2 3.27Å; A119-V122 WeakPolarHBondContact O-CG2 3.33Å; A119-V122 PolarHBondContact O-N 2.74Å
120P97.8Very high98.2Very high97 Ų9749.9 Ų49.963%0.6332%0.319SS*.THydrogen-bonded Turntrans-66.7-17.9-179.730.2-37.7000114.3A33 D118A33-P120 WeakPolarHBondContact O-CD 3.43Å; D118-P120 VanDerWaalsContact C-CD 3.41Å
121G97.5Very high98.1Very high37 Ų3750 Ų5038%0.38132%0.32SS..THydrogen-bonded Turntrans-83.9-3-177.800000115.3A33 A119A33-G121 WeakPolarHBondContact O-CA 3.21Å; A33-G121 PolarHBondContact O-N 2.87Å; A119-G121 PolarHBondContact O-N 2.8Å
122V98.1Very high97.9Very high15 Ų1551 Ų519%0.09133%0.325CS..  trans-126.4151.5-176.3-69.70000112I32 I96 V114 A119 I128I32-V122 HydrophobicContact CG2-CG1 3.46Å; I32-V122 VanDerWaalsContact CG2-CG1 3.46Å; I96-V122 HydrophobicContact CD1-CG2 3.93Å; I96-V122 HydrophobicContact CG1-CG2 4.12Å; V114-V122 HydrophobicContact CG1-CG2 4.41Å; V114-V122 HydrophobicContact CG2-CG2 3.86Å; A119-V122 HydrophobicContact CB-CG2 3.6Å; A119-V122 VanDerWaalsContact O-CG2 3.27Å; A119-V122 WeakPolarHBondContact O-CG2 3.33Å; A119-V122 PolarHBondContact O-N 2.74Å; V122-I128 HydrophobicContact CG1-CG2 4.13Å
123K98.2Very high97.6Very high126 Ų12652 Ų5255%0.54833%0.333SS..  trans-137.3158.7174.258.1-177179.8-49.90111.4V111 G125 D126V111-K123 WeakPolarHBondContact CB-O 3.38Å; K123-G125 PolarHBondContact O-N 2.95Å; K123-D126 WeakPolarHBondContact CE-OD1 3.43Å; K123-D126 WeakPolarHBondContact CG-OD1 3.44Å; K123-D126 VanDerWaalsContact CG-OD2 3.22Å; K123-D126 WeakPolarHBondContact CG-OD2 3.49Å; K123-D126 PolarHBondContact N-OD2 3.03Å; K123-D126 IonicContact NZ-OD1 2.72Å; K123-D126 PolarHBondContact NZ-OD1 2.69Å; K123-D126 IonicContact NZ-OD2 3.29Å; K123-D126 PolarHBondContact NZ-OD2 2.82Å; K123-D126 WeakPolarHBondContact O-CB 3.35Å; K123-D126 PolarHBondContact O-N 3.22Å; K123-D126 VanDerWaalsContact O-N 3.16Å
124P98.6Very high97.4Very high81 Ų8157.7 Ų57.753%0.52635%0.348SS..THydrogen-bonded Turntrans-50.7135.6171.6-27.636.3000112.4V111V111-P124 WeakPolarHBondContact O-CA 3.36Å
125G98.5Very high97Very high51 Ų5158.5 Ų58.553%0.52635%0.347SS..THydrogen-bonded Turntrans93.4-14.6-177.100000114.9V111 K123V111-G125 PolarHBondContact O-N 3.31Å; K123-G125 PolarHBondContact O-N 2.95Å
126D98.5Very high96.6Very high37 Ų3758 Ų5820%0.19834%0.337CS..  trans-65.5136175.9-70.8-16.8000111I110 V111 K123 I128I110-D126 WeakPolarHBondContact CA-O 3.46Å; V111-D126 HydrophobicContact CG2-CB 4.25Å; V111-D126 PolarHBondContact N-O 3.26Å; K123-D126 WeakPolarHBondContact CE-OD1 3.43Å; K123-D126 WeakPolarHBondContact CG-OD1 3.44Å; K123-D126 VanDerWaalsContact CG-OD2 3.22Å; K123-D126 WeakPolarHBondContact CG-OD2 3.49Å; K123-D126 PolarHBondContact N-OD2 3.03Å; K123-D126 IonicContact NZ-OD1 2.72Å; K123-D126 PolarHBondContact NZ-OD1 2.69Å; K123-D126 IonicContact NZ-OD2 3.29Å; K123-D126 PolarHBondContact NZ-OD2 2.82Å; K123-D126 WeakPolarHBondContact O-CB 3.35Å; K123-D126 PolarHBondContact O-N 3.22Å; K123-D126 VanDerWaalsContact O-N 3.16Å; D126-I128 HydrophobicContact CB-CG2 4.05Å
127V98.5Very high96.2Very high63 Ų6361.8 Ų61.838%0.38233%0.329SS..EExtended strand (participates in β ladder)trans-88.7109.1168.9176.90000107.6K108 I110K108-V127 HydrophobicContact CB-CG1 3.99Å; K108-V127 HydrophobicContact CD-CG1 4.12Å; K108-V127 HydrophobicContact CG-CG1 4.1Å; I110-V127 HydrophobicContact CD1-CG2 4.47Å; I110-V127 HydrophobicContact CG1-CG2 3.84Å
128I98.3Very high95.8Very high3 Ų361.5 Ų61.52%0.01534%0.34CS..EExtended strand (participates in β ladder)trans-112.1-11-177.371.3166.3000113.7I32 C39 L40 I96 L98 G109 V111 V122 D126I32-I128 HydrophobicContact CD1-CB 4.36Å; I32-I128 HydrophobicContact CG2-CB 4.02Å; I32-I128 HydrophobicContact CG2-CD1 4.34Å; I32-I128 HydrophobicContact CG2-CG2 3.8Å; C39-I128 WeakPolarHBondContact CA-O 3.14Å; L40-I128 PolarHBondContact N-O 3.12Å; I96-I128 HydrophobicContact CG2-CD1 4.15Å; L98-I128 HydrophobicContact CD2-CD1 3.82Å; L98-I128 HydrophobicContact CD2-CG1 3.81Å; G109-I128 PolarHBondContact O-N 3.19Å; V111-I128 HydrophobicContact CG2-CD1 4Å; V111-I128 HydrophobicContact CG2-CG1 4.1Å; V111-I128 HydrophobicContact CG2-CG2 3.86Å; V122-I128 HydrophobicContact CG1-CG2 4.13Å; D126-I128 HydrophobicContact CB-CG2 4.05Å
129I98.3Very high95.3Very high0 Ų063.6 Ų63.60%036%0.363CS..EExtended strand (participates in β ladder)trans-122.8135173-41.9-65.8000108.3L40 L42 M45 V87 L98 F100 K108 G109L40-I129 HydrophobicContact CB-CD1 4.09Å; L40-I129 HydrophobicContact CD2-CD1 3.97Å; L40-I129 HydrophobicContact CG-CD1 4.39Å; L40-I129 WeakPolarHBondContact O-CA 3.49Å; L42-I129 HydrophobicContact CD1-CG2 4.07Å; M45-I129 HydrophobicContact SD-CG2 3.95Å; V87-I129 HydrophobicContact CG1-CD1 3.61Å; V87-I129 HydrophobicContact CG1-CG1 3.87Å; L98-I129 HydrophobicContact CD1-CG1 4.09Å; F100-I129 HydrophobicContact CE1-CG2 4.43Å; K108-I129 WeakPolarHBondContact CA-O 3.32Å; G109-I129 PolarHBondContact N-O 3.07Å; G109-I129 PolarHBondContact O-N 3.02Å
130A97.6Very high94.6Very high14 Ų1466.1 Ų66.112%0.11637%0.374CS..EExtended strand (participates in β ladder)trans-138.3152.3171.200000110.6L40 Y41 L42L40-A130 PolarHBondContact O-N 2.91Å; Y41-A130 CarbonylContact C-O 3.6Å; Y41-A130 VanDerWaalsContact CA-O 3.31Å; Y41-A130 WeakPolarHBondContact CA-O 3.44Å; Y41-A130 HydrophobicContact CD1-CB 3.84Å; Y41-A130 HydrophobicContact CE1-CB 3.86Å; L42-A130 PolarHBondContact N-O 2.77Å
131V96.9Very high94.2Very high16 Ų1664.6 Ų64.610%0.09736%0.363CS..EExtended strand (participates in β ladder)trans-91.8134172.4179.10000109.6L42 M45 G104 V105 E107 F136L42-V131 CarbonylContact O-C 3.54Å; L42-V131 VanDerWaalsContact O-CA 3.31Å; L42-V131 WeakPolarHBondContact O-CA 3.39Å; M45-V131 HydrophobicContact CE-CG2 3.5Å; M45-V131 VanDerWaalsContact CE-CG2 3.5Å; M45-V131 HydrophobicContact CG-CG2 4.19Å; M45-V131 HydrophobicContact SD-CG2 4.13Å; G104-V131 WeakPolarHBondContact O-CG2 3.38Å; V105-V131 HydrophobicContact CG1-CG1 4.46Å; E107-V131 HydrophobicContact CB-CG2 4.23Å; E107-V131 PolarHBondContact O-N 2.88Å; V131-F136 HydrophobicContact CG1-CE2 3.5Å; V131-F136 HydrophobicContact CG1-CZ 3.82Å
132D95Very high93.9Very high23 Ų2369.8 Ų69.812%0.12338%0.377CS..  trans-126121.9174-175.2-30.7000110.1Y41 L42 R134 Y135Y41-D132 HydrophobicContact CD1-CB 4.15Å; L42-D132 PolarHBondContact O-N 3.24Å; D132-R134 PolarHBondContact O-N 3.26Å; D132-R134 VanDerWaalsContact OD1-CB 3.26Å; D132-R134 WeakPolarHBondContact OD1-CB 3.41Å; D132-R134 VanDerWaalsContact OD1-CG 3.24Å; D132-R134 WeakPolarHBondContact OD1-CG 3.43Å; D132-R134 PolarHBondContact OD1-N 3.16Å; D132-R134 IonicContact OD1-NE 2.66Å; D132-R134 PolarHBondContact OD1-NE 3.34Å; D132-R134 IonicContact OD2-CZ 3.78Å; D132-R134 IonicContact OD2-NE 2.72Å; D132-R134 PolarHBondContact OD2-NE 3.14Å; D132-R134 IonicContact OD2-NH2 3.31Å; D132-R134 PolarHBondContact OD2-NH2 3.27Å; D132-Y135 HydrophobicContact CB-CD2 3.86Å; D132-Y135 HydrophobicContact CB-CE2 4.13Å; D132-Y135 PolarHBondContact O-N 2.92Å
133P93.2Very high93.7Very high82 Ų8272.6 Ų72.653%0.53239%0.394SS..G310 helixtrans-50-28.5177.7-28.434.6000114.7V105 Y135 F136V105-P133 HydrophobicContact CB-CG 4.38Å; V105-P133 HydrophobicContact CG1-CG 3.88Å; P133-Y135 PolarHBondContact O-N 3.48Å; P133-F136 WeakPolarHBondContact O-CB 3.29Å; P133-F136 PolarHBondContact O-N 3.46Å
134R92.9Very high93.5Very high160 Ų16069.5 Ų69.560%0.60438%0.384SS*.G310 helixtrans-62-23.2179.5-64.5179.5-66.4150.71.7113.2D132 S197D132-R134 PolarHBondContact O-N 3.26Å; D132-R134 VanDerWaalsContact OD1-CB 3.26Å; D132-R134 WeakPolarHBondContact OD1-CB 3.41Å; D132-R134 VanDerWaalsContact OD1-CG 3.24Å; D132-R134 WeakPolarHBondContact OD1-CG 3.43Å; D132-R134 PolarHBondContact OD1-N 3.16Å; D132-R134 IonicContact OD1-NE 2.66Å; D132-R134 PolarHBondContact OD1-NE 3.34Å; D132-R134 IonicContact OD2-CZ 3.78Å; D132-R134 IonicContact OD2-NE 2.72Å; D132-R134 PolarHBondContact OD2-NE 3.14Å; D132-R134 IonicContact OD2-NH2 3.31Å; D132-R134 PolarHBondContact OD2-NH2 3.27Å; R134-S197 PolarHBondContact NH1-OXT 2.92Å; R134-S197 PolarHBondContact NH2-OXT 2.58Å
135Y90.8Very high93.5Very high62 Ų6270 Ų7024%0.24338%0.382CS..G310 helixtrans-92.4-0.5177.7-64.7-67.5000113.9K24 D132 P133K24-Y135 PolarHBondContact NZ-OH 3.35Å; D132-Y135 HydrophobicContact CB-CD2 3.86Å; D132-Y135 HydrophobicContact CB-CE2 4.13Å; D132-Y135 PolarHBondContact O-N 2.92Å; P133-Y135 PolarHBondContact O-N 3.48Å
136F89.6Confident93.4Very high79 Ų7967.9 Ų67.935%0.34636%0.359SS..SBendtrans-75.4139.3172-75.2-106.3000110.1N44 V105 V131 P133N44-F136 HydrophobicContact CB-CD1 4.21Å; N44-F136 HydrophobicContact CB-CE1 3.81Å; N44-F136 HydrophobicContact CB-CZ 4.42Å; V105-F136 HydrophobicContact CG1-CE2 4.46Å; V131-F136 HydrophobicContact CG1-CE2 3.5Å; V131-F136 HydrophobicContact CG1-CZ 3.82Å; P133-F136 WeakPolarHBondContact O-CB 3.29Å; P133-F136 PolarHBondContact O-N 3.46Å
137R89.1Confident93.4Very high154 Ų15471.4 Ų71.458%0.58138%0.378SS*.  trans-81.5140.4171.7-66.1177.7177.9-174.1-1.2109.2A139R137-A139 PolarHBondContact O-N 2.92Å; R137-A139 VanDerWaalsContact O-N 3.14Å
138P88.3Confident93.4Very high147 Ų14769.4 Ų69.496%0.95537%0.366SS*.SBendtrans-55.1-31.5174.4-26.834.5000113.4
139A86.4Confident93.4Very high84 Ų8472.4 Ų72.469%0.69439%0.385SS*.SBendtrans-128106.916900000108.1R137R137-A139 PolarHBondContact O-N 2.92Å; R137-A139 VanDerWaalsContact O-N 3.14Å
140E84.2Confident93.4Very high57 Ų5776.3 Ų76.327%0.26640%0.402SS..  trans-83.6144.4179.7-17058.1-89.500110.8R49R49-E140 IonicContact NH2-OE1 2.65Å; R49-E140 PolarHBondContact NH2-OE1 3.21Å
141V89.4Confident93.5Very high65 Ų6575.6 Ų75.639%0.39440%0.396SS..  trans-97.5104.8165.4-178.60000106.3R49 T143 L144R49-V141 PolarHBondContact NH1-O 3.29Å; R49-V141 PolarHBondContact NH2-O 3.25Å; V141-T143 PolarHBondContact O-N 3.38Å; V141-L144 HydrophobicContact CG1-CD1 4.02Å; V141-L144 HydrophobicContact CG1-CD2 3.88Å; V141-L144 HydrophobicContact CG1-CG 3.62Å
142E90.8Very high93.5Very high146 Ų14679.9 Ų79.968%0.68242%0.415SS*.  trans-67.3-39.7-174.1-65.4-174.7173.200112.1L48 R49L48-E142 PolarHBondContact N-O 3.28Å; R49-E142 PolarHBondContact NH1-O 3.5Å
143T95.2Very high93.7Very high74 Ų7485.8 Ų85.845%0.45444%0.442SS..EExtended strand (participates in β ladder)trans-139.8137.8-173.2-177.20000111.9Q80 V141Q80-T143 PolarHBondContact OE1-OG1 3.36Å; V141-T143 PolarHBondContact O-N 3.38Å
144L94.2Very high93.9Very high62 Ų6287 Ų8733%0.32544%0.439SS..EExtended strand (participates in β ladder)trans-138.8108.4170.3-75.2173.4000108.8F9 L48 R49 D50 V141F9-L144 HydrophobicContact CD1-CB 4.31Å; F9-L144 HydrophobicContact CE1-CB 4.1Å; L48-L144 PolarHBondContact O-N 3.03Å; L48-L144 VanDerWaalsContact O-N 3.11Å; R49-L144 CarbonylContact C-O 3.59Å; D50-L144 WeakPolarHBondContact CB-O 3.47Å; D50-L144 PolarHBondContact N-O 3.44Å; V141-L144 HydrophobicContact CG1-CD1 4.02Å; V141-L144 HydrophobicContact CG1-CD2 3.88Å; V141-L144 HydrophobicContact CG1-CG 3.62Å
145L97.5Very high94.1Very high92 Ų9280 Ų8048%0.48241%0.413SS..  trans-128123.9175.8-17961.6000109.3Q80Q80-L145 HydrophobicContact CB-CD1 4.11Å; Q80-L145 HydrophobicContact CG-CD1 4.3Å
146G97.6Very high94.4Very high5 Ų579.8 Ų79.85%0.05243%0.43CS..  trans-98.2144-17800000112.2D50 G78 P148D50-G146 PolarHBondContact OD2-N 3.35Å; G78-G146 WeakPolarHBondContact CA-O 3.16Å; G146-P148 WeakPolarHBondContact O-CD 3.4Å
147D98.4Very high94.8Very high112 Ų11276.5 Ų76.560%0.59942%0.415SS*.  trans-102.2105.2166.9179.9-4000109.2V74 T149V74-D147 WeakPolarHBondContact CG1-O 3.36Å; D147-T149 VanDerWaalsContact C-N 3.33Å; D147-T149 WeakPolarHBondContact OD1-CB 3.34Å; D147-T149 PolarHBondContact OD1-N 3.1Å; D147-T149 PolarHBondContact OD1-OG1 3.13Å
148P98.3Very high95.1Very high21 Ų2176.3 Ų76.314%0.13642%0.419CS..  trans-93.617.6-178.741.4-39.2000112.9A76 G146 K150 A151 H152A76-P148 HydrophobicContact CB-CB 4.46Å; A76-P148 WeakPolarHBondContact O-CG 3.38Å; G146-P148 WeakPolarHBondContact O-CD 3.4Å; P148-K150 VanDerWaalsContact C-N 3.27Å; P148-K150 PolarHBondContact O-N 3.43Å; P148-A151 PolarHBondContact O-N 2.91Å; P148-H152 PolarHBondContact O-N 3.32Å
149T98.6Very high95.5Very high66 Ų6671.3 Ų71.341%0.40539%0.386SS..Hα-helixtrans-50.8-45.6-175.6-64.20000112.1D147 A151 H152 E153D147-T149 VanDerWaalsContact C-N 3.33Å; D147-T149 WeakPolarHBondContact OD1-CB 3.34Å; D147-T149 PolarHBondContact OD1-N 3.1Å; D147-T149 PolarHBondContact OD1-OG1 3.13Å; T149-A151 VanDerWaalsContact C-N 3.34Å; T149-A151 PolarHBondContact O-N 3.01Å; T149-H152 WeakPolarHBondContact O-CB 3.24Å; T149-H152 PolarHBondContact O-N 2.99Å; T149-H152 VanDerWaalsContact O-N 3.14Å; T149-E153 HydrophobicContact CG2-CG 4.28Å; T149-E153 WeakPolarHBondContact O-CG 3.39Å; T149-E153 PolarHBondContact O-N 3.48Å
150K98.4Very high96.1Very high81 Ų8173.4 Ų73.435%0.35238%0.382SS..Hα-helixtrans-58.7-43.4177.4-175-171.4175.1-173.40112.7E71 D72 F73 P148 K154E71-K150 WeakPolarHBondContact OE2-CE 3.45Å; E71-K150 IonicContact OE2-NZ 2.8Å; E71-K150 PolarHBondContact OE2-NZ 3.43Å; D72-K150 PolarHBondContact O-NZ 3.45Å; F73-K150 HydrophobicContact CD1-CD 3.99Å; F73-K150 HydrophobicContact CD1-CG 3.95Å; F73-K150 HydrophobicContact CE1-CD 4.08Å; F73-K150 HydrophobicContact CE1-CG 3.89Å; P148-K150 VanDerWaalsContact C-N 3.27Å; P148-K150 PolarHBondContact O-N 3.43Å; K150-K154 WeakPolarHBondContact O-CB 3.06Å; K150-K154 PolarHBondContact O-N 3.19Å; K150-K154 VanDerWaalsContact O-N 3.09Å
151A98.3Very high96.8Very high0 Ų072.4 Ų72.40%038%0.378CS..Hα-helixtrans-70.5-35.2178.700000111.3F73 V74 I75 P148 T149 L155 G156 W157F73-A151 HydrophobicContact CB-CB 4.41Å; F73-A151 HydrophobicContact CD1-CB 4.06Å; V74-A151 WeakPolarHBondContact O-CB 3.46Å; I75-A151 HydrophobicContact CD1-CB 3.57Å; P148-A151 PolarHBondContact O-N 2.91Å; T149-A151 VanDerWaalsContact C-N 3.34Å; T149-A151 PolarHBondContact O-N 3.01Å; A151-L155 CarbonylContact O-C 3.5Å; A151-L155 WeakPolarHBondContact O-CA 3.32Å; A151-L155 VanDerWaalsContact O-CB 3.26Å; A151-L155 WeakPolarHBondContact O-CB 3.41Å; A151-L155 PolarHBondContact O-N 3.35Å; A151-G156 PolarHBondContact O-N 3.45Å; A151-W157 HydrophobicContact CB-CB 3.83Å; A151-W157 HydrophobicContact CB-CG 4.23Å; A151-W157 WeakPolarHBondContact O-CB 3.42Å; A151-W157 PolarHBondContact O-N 2.91Å
152H97.8Very high97.2Very high106 Ų10672.9 Ų72.949%0.49138%0.381SS..Hα-helixtrans-61.4-52.7174.2-178.766.9000111.1P148 T149 G156 W157P148-H152 PolarHBondContact O-N 3.32Å; T149-H152 WeakPolarHBondContact O-CB 3.24Å; T149-H152 PolarHBondContact O-N 2.99Å; T149-H152 VanDerWaalsContact O-N 3.14Å; H152-G156 WeakPolarHBondContact O-CA 3.36Å; H152-G156 PolarHBondContact O-N 3.09Å; H152-W157 PolarHBondContact ND1-O 2.62Å
153E98Very high97.5Very high147 Ų14766.7 Ų66.769%0.68735%0.353SS*.Hα-helixtrans-65.4-44-176.3-69.7176.2164.200113T149T149-E153 HydrophobicContact CG2-CG 4.28Å; T149-E153 WeakPolarHBondContact O-CG 3.39Å; T149-E153 PolarHBondContact O-N 3.48Å
154K97.5Very high97.6Very high108 Ų10871.9 Ų71.947%0.4736%0.364SS..Hα-helixtrans-89.9-33.7-174.1-69-166.6169.9-172.20114.2E71 F73 K150E71-K154 IonicContact OE1-NZ 2.81Å; E71-K154 PolarHBondContact OE1-NZ 2.81Å; E71-K154 IonicContact OE2-NZ 3.66Å; E71-K154 PolarHBondContact OE2-NZ 2.71Å; F73-K154 HydrophobicContact CE1-CB 4Å; F73-K154 HydrophobicContact CE1-CD 4.08Å; F73-K154 HydrophobicContact CZ-CB 4.36Å; F73-K154 HydrophobicContact CZ-CD 4.23Å; K150-K154 WeakPolarHBondContact O-CB 3.06Å; K150-K154 PolarHBondContact O-N 3.19Å; K150-K154 VanDerWaalsContact O-N 3.09Å
155L97.1Very high97.8Very high11 Ų1174 Ų746%0.05837%0.372CS..Hα-helixtrans-116-0-171.4-49.3178.4000112.4M60 M63 M64 Q67 F73 A151 W157M60-L155 HydrophobicContact CE-CB 3.57Å; M60-L155 HydrophobicContact CE-CD1 3.39Å; M60-L155 HydrophobicContact CE-CG 4.12Å; M63-L155 HydrophobicContact CE-CB 4.49Å; M63-L155 WeakPolarHBondContact CE-O 3.46Å; M64-L155 HydrophobicContact CG-CD1 3.96Å; Q67-L155 HydrophobicContact CG-CD2 3.57Å; F73-L155 HydrophobicContact CD1-CD1 3.85Å; F73-L155 HydrophobicContact CD1-CG 4.35Å; F73-L155 HydrophobicContact CD2-CD1 3.89Å; F73-L155 HydrophobicContact CE1-CD1 3.86Å; F73-L155 HydrophobicContact CE1-CD2 4.45Å; F73-L155 HydrophobicContact CE1-CG 3.93Å; F73-L155 HydrophobicContact CE2-CD1 3.9Å; F73-L155 HydrophobicContact CE2-CD2 4.42Å; F73-L155 HydrophobicContact CE2-CG 4.45Å; F73-L155 HydrophobicContact CG-CD1 3.86Å; F73-L155 HydrophobicContact CZ-CD1 3.89Å; F73-L155 HydrophobicContact CZ-CD2 4.04Å; F73-L155 HydrophobicContact CZ-CG 4Å; A151-L155 CarbonylContact O-C 3.5Å; A151-L155 WeakPolarHBondContact O-CA 3.32Å; A151-L155 VanDerWaalsContact O-CB 3.26Å; A151-L155 WeakPolarHBondContact O-CB 3.41Å; A151-L155 PolarHBondContact O-N 3.35Å; L155-W157 PolarHBondContact O-N 2.83Å
156G96.8Very high97.9Very high59 Ų5969.6 Ų69.661%0.60835%0.349SS*.  trans65.523.1-175.500000113.1A151 H152 K158A151-G156 PolarHBondContact O-N 3.45Å; H152-G156 WeakPolarHBondContact O-CA 3.36Å; H152-G156 PolarHBondContact O-N 3.09Å; G156-K158 PolarHBondContact O-N 2.88Å
157W97.8Very high97.9Very high9 Ų969.4 Ų69.43%0.03435%0.347CS..  trans-58.3128.9179.8166.9-112.6000111.2D56 Y57 M60 I75 A76 A151 H152 L155 P159D56-W157 HydrophobicContact CB-CH2 3.78Å; D56-W157 HydrophobicContact CB-CZ3 3.87Å; Y57-W157 AromaticContact CD2-CH2 3.69Å; Y57-W157 HydrophobicContact CD2-CH2 3.69Å; Y57-W157 HydrophobicContact CD2-CZ2 4.22Å; Y57-W157 AromaticContact CE2-CH2 3.69Å; Y57-W157 HydrophobicContact CE2-CH2 3.69Å; Y57-W157 AromaticContact CE2-CZ2 3.79Å; Y57-W157 HydrophobicContact CE2-CZ2 3.79Å; M60-W157 HydrophobicContact CE-CB 3.93Å; M60-W157 HydrophobicContact CG-CD2 3.87Å; M60-W157 HydrophobicContact CG-CE3 3.14Å; M60-W157 HydrophobicContact CG-CH2 4.46Å; M60-W157 HydrophobicContact CG-CZ3 3.49Å; M60-W157 VanDerWaalsContact CG-CZ3 3.49Å; M60-W157 HydrophobicContact SD-CB 3.96Å; M60-W157 HydrophobicContact SD-CD2 4.13Å; M60-W157 HydrophobicContact SD-CE3 3.47Å; M60-W157 HydrophobicContact SD-CG 4.37Å; M60-W157 HydrophobicContact SD-CZ3 4.29Å; I75-W157 HydrophobicContact CD1-CG 4.46Å; I75-W157 HydrophobicContact CG2-CD2 4.28Å; I75-W157 HydrophobicContact CG2-CH2 4.03Å; I75-W157 HydrophobicContact CG2-CZ2 3.74Å; I75-W157 HydrophobicContact CG2-CZ3 4.44Å; A76-W157 PolarHBondContact O-NE1 2.84Å; A151-W157 HydrophobicContact CB-CB 3.83Å; A151-W157 HydrophobicContact CB-CG 4.23Å; A151-W157 WeakPolarHBondContact O-CB 3.42Å; A151-W157 PolarHBondContact O-N 2.91Å; H152-W157 PolarHBondContact ND1-O 2.62Å; L155-W157 PolarHBondContact O-N 2.83Å; W157-P159 HydrophobicContact CH2-CB 4.22Å; W157-P159 HydrophobicContact CZ2-CB 4.04Å
158K97Very high97.9Very high151 Ų15166.3 Ų66.366%0.65733%0.334SS*.  trans-151.3127.1167.2-176.7179.6176.7-177.20107.3G156 E160G156-K158 PolarHBondContact O-N 2.88Å; K158-E160 PolarHBondContact O-N 3.05Å
159P97.2Very high98Very high41 Ų4169.4 Ų69.427%0.26635%0.347SS..  trans-61129.1172.826.9-34000109.1T77 W157T77-P159 HydrophobicContact CG2-CB 4.27Å; T77-P159 HydrophobicContact CG2-CG 4.47Å; W157-P159 HydrophobicContact CH2-CB 4.22Å; W157-P159 HydrophobicContact CZ2-CB 4.04Å
160E98.1Very high98Very high128 Ų12866.3 Ų66.360%0.59833%0.327SS*.  trans-92.4-36.1-178.7-66.9179.6-157.300110.3D56 K59 K158D56-E160 PolarHBondContact OD2-N 3.29Å; K59-E160 IonicContact NZ-OE1 3.41Å; K59-E160 PolarHBondContact NZ-OE1 3.44Å; K158-E160 PolarHBondContact O-N 3.05Å
161I98.4Very high98Very high36 Ų3662.5 Ų62.519%0.18531%0.311CS..SBendtrans-98.6122-179.7-60.2165.8000109.5H53 K55 D56 E165 M166H53-I161 HydrophobicContact CB-CB 3.71Å; H53-I161 HydrophobicContact CB-CD1 3.91Å; H53-I161 HydrophobicContact CB-CG1 4.39Å; H53-I161 HydrophobicContact CB-CG2 3.79Å; H53-I161 VanDerWaalsContact ND1-CD1 3.26Å; H53-I161 WeakPolarHBondContact ND1-CD1 3.44Å; K55-I161 HydrophobicContact CB-CD1 4.42Å; K55-I161 HydrophobicContact CD-CD1 4.35Å; D56-I161 PolarHBondContact OD2-N 3.03Å; I161-E165 HydrophobicContact CG2-CB 4.01Å; I161-M166 HydrophobicContact CG2-CB 4.28Å
162T97.4Very high98Very high75 Ų7565.2 Ų65.246%0.4633%0.334SS..  trans-76.5161.3177.966.40000112.2R164 E165 M166T162-R164 PolarHBondContact O-N 3.14Å; T162-E165 WeakPolarHBondContact CB-OE2 3.45Å; T162-E165 WeakPolarHBondContact CG2-OE2 3.45Å; T162-E165 PolarHBondContact N-OE2 3.41Å; T162-E165 PolarHBondContact O-N 2.77Å; T162-E165 WeakPolarHBondContact OG1-CG 3.4Å; T162-E165 PolarHBondContact OG1-N 3.32Å; T162-E165 PolarHBondContact OG1-OE2 3.35Å; T162-M166 PolarHBondContact O-N 3.07Å
163L98Very high98Very high17 Ų1763.3 Ų63.39%0.08933%0.327CS..Hα-helixtrans-56-39.4174178.359.3000112.5W51 Y81 F86 M89 M166 V167W51-L163 HydrophobicContact CB-CD1 4.06Å; Y81-L163 HydrophobicContact CD1-CD2 3.96Å; Y81-L163 HydrophobicContact CD2-CD2 3.08Å; Y81-L163 HydrophobicContact CD2-CG 4.47Å; Y81-L163 HydrophobicContact CE1-CD2 4.22Å; Y81-L163 HydrophobicContact CE2-CB 4.4Å; Y81-L163 HydrophobicContact CE2-CD2 3.39Å; Y81-L163 HydrophobicContact CG-CD2 3.38Å; F86-L163 HydrophobicContact CD2-CD1 4.14Å; F86-L163 HydrophobicContact CE2-CD1 3.94Å; M89-L163 HydrophobicContact CE-CD2 3.55Å; M89-L163 HydrophobicContact CE-CG 4.07Å; M89-L163 HydrophobicContact SD-CD2 4.38Å; M89-L163 HydrophobicContact SD-CG 4.49Å; L163-M166 HydrophobicContact CD1-CE 3.37Å; L163-M166 PolarHBondContact O-N 3.1Å; L163-V167 HydrophobicContact CD1-CG2 3.98Å; L163-V167 HydrophobicContact CG-CG2 4.34Å; L163-V167 WeakPolarHBondContact O-CB 3.32Å; L163-V167 VanDerWaalsContact O-CG2 3.26Å; L163-V167 WeakPolarHBondContact O-CG2 3.27Å; L163-V167 PolarHBondContact O-N 2.76Å
164R97.8Very high98.1Very high182 Ų18256.6 Ų56.669%0.68730%0.296SS*.Hα-helixtrans-65.8-43.1-179.9-71.4-178.1-179.6-95.2-0.5111.8M89 T162 V167 S168M89-R164 HydrophobicContact SD-CG 4.36Å; T162-R164 PolarHBondContact O-N 3.14Å; R164-V167 PolarHBondContact O-N 2.74Å; R164-S168 WeakPolarHBondContact O-CB 3.39Å; R164-S168 PolarHBondContact O-N 3.44Å
165E98.5Very high98.1Very high106 Ų10652.1 Ų52.150%0.49528%0.277SS..Hα-helixtrans-64.4-44.1176.3-70.9162.9135.100110.8I161 T162 V167 S168 E169I161-E165 HydrophobicContact CG2-CB 4.01Å; T162-E165 WeakPolarHBondContact CB-OE2 3.45Å; T162-E165 WeakPolarHBondContact CG2-OE2 3.45Å; T162-E165 PolarHBondContact N-OE2 3.41Å; T162-E165 PolarHBondContact O-N 2.77Å; T162-E165 WeakPolarHBondContact OG1-CG 3.4Å; T162-E165 PolarHBondContact OG1-N 3.32Å; T162-E165 PolarHBondContact OG1-OE2 3.35Å; E165-V167 PolarHBondContact O-N 3.49Å; E165-S168 WeakPolarHBondContact O-CB 3.29Å; E165-S168 PolarHBondContact O-N 3.14Å; E165-E169 WeakPolarHBondContact O-CB 2.98Å; E165-E169 PolarHBondContact O-N 3.44Å
166M98.6Very high98.2Very high1 Ų156.5 Ų56.51%0.00530%0.297CS..Hα-helixtrans-60.2-46.6175.8176.7175.378.300112.3E12 W51 H53 F86 I161 T162 L163 S168 E169 M170E12-M166 HydrophobicContact CB-CE 4.05Å; E12-M166 HydrophobicContact CB-SD 3.63Å; E12-M166 HydrophobicContact CG-CE 4.18Å; E12-M166 HydrophobicContact CG-SD 4.32Å; W51-M166 HydrophobicContact CB-CE 3.91Å; H53-M166 HydrophobicContact CB-SD 4.34Å; F86-M166 HydrophobicContact CE2-CE 4.28Å; I161-M166 HydrophobicContact CG2-CB 4.28Å; T162-M166 PolarHBondContact O-N 3.07Å; L163-M166 HydrophobicContact CD1-CE 3.37Å; L163-M166 PolarHBondContact O-N 3.1Å; M166-S168 VanDerWaalsContact C-N 3.32Å; M166-S168 PolarHBondContact O-N 3.13Å; M166-E169 PolarHBondContact O-N 2.91Å; M166-M170 HydrophobicContact CG-CG 4.39Å; M166-M170 HydrophobicContact CG-SD 3.89Å; M166-M170 WeakPolarHBondContact O-CB 3.26Å; M166-M170 VanDerWaalsContact O-CG 3.27Å; M166-M170 WeakPolarHBondContact O-CG 3.47Å; M166-M170 PolarHBondContact O-N 3.29Å
167V98.7Very high98.2Very high0 Ų055.5 Ų55.50%028%0.283CS..Hα-helixtrans-61.2-43.4176.7170.40000110.5F86 M89 A90 Q93 L163 R164 E165 M170 V171F86-V167 HydrophobicContact CD2-CG2 4.12Å; F86-V167 HydrophobicContact CE1-CG2 4.25Å; F86-V167 HydrophobicContact CE2-CG2 3.63Å; F86-V167 HydrophobicContact CZ-CG2 3.7Å; M89-V167 HydrophobicContact CB-CG1 4.09Å; A90-V167 HydrophobicContact CB-CG1 4.11Å; Q93-V167 HydrophobicContact CG-CG1 4.18Å; L163-V167 HydrophobicContact CD1-CG2 3.98Å; L163-V167 HydrophobicContact CG-CG2 4.34Å; L163-V167 WeakPolarHBondContact O-CB 3.32Å; L163-V167 VanDerWaalsContact O-CG2 3.26Å; L163-V167 WeakPolarHBondContact O-CG2 3.27Å; L163-V167 PolarHBondContact O-N 2.76Å; R164-V167 PolarHBondContact O-N 2.74Å; E165-V167 PolarHBondContact O-N 3.49Å; V167-M170 PolarHBondContact O-N 3.08Å; V167-V171 HydrophobicContact CG1-CG2 4.2Å; V167-V171 WeakPolarHBondContact O-CB 3.46Å; V167-V171 VanDerWaalsContact O-CG2 3.27Å; V167-V171 WeakPolarHBondContact O-CG2 3.24Å; V167-V171 PolarHBondContact O-N 2.91Å
168S98.7Very high98.1Very high47 Ų4755.1 Ų55.133%0.32928%0.282SS..Hα-helixtrans-60-46.9177.1-165.60000111.9Q93 R164 E165 M166 A172Q93-S168 PolarHBondContact OE1-OG 3.04Å; R164-S168 WeakPolarHBondContact O-CB 3.39Å; R164-S168 PolarHBondContact O-N 3.44Å; E165-S168 WeakPolarHBondContact O-CB 3.29Å; E165-S168 PolarHBondContact O-N 3.14Å; M166-S168 VanDerWaalsContact C-N 3.32Å; M166-S168 PolarHBondContact O-N 3.13Å; S168-A172 VanDerWaalsContact O-CB 3.26Å; S168-A172 WeakPolarHBondContact O-CB 3.3Å; S168-A172 PolarHBondContact O-N 3.38Å
169E98.7Very high98.2Very high87 Ų8751.7 Ų51.741%0.40727%0.267SS..Hα-helixtrans-61.7-47.6177.8-171.3-168.5179.600112P14 H53 E165 M166 A172 N173P14-E169 HydrophobicContact CG-CG 3.66Å; H53-E169 IonicContact CD2-OE2 3.6Å; H53-E169 IonicContact CE1-OE2 3.12Å; H53-E169 IonicContact NE2-OE2 2.82Å; H53-E169 PolarHBondContact NE2-OE2 3.45Å; E165-E169 WeakPolarHBondContact O-CB 2.98Å; E165-E169 PolarHBondContact O-N 3.44Å; M166-E169 PolarHBondContact O-N 2.91Å; E169-A172 PolarHBondContact O-N 2.86Å; E169-N173 WeakPolarHBondContact O-CB 3.19Å; E169-N173 PolarHBondContact O-N 3.42Å
170M98.8Very high98.1Very high0 Ų055.1 Ų55.10%028%0.277CS..Hα-helixtrans-63.5-46.5179.9-7117965.200111.7E12 P14 R23 T26 F86 M166 V167 N173 D174E12-M170 HydrophobicContact CB-SD 4.06Å; P14-M170 HydrophobicContact CG-CG 4.3Å; R23-M170 HydrophobicContact CB-CE 4.32Å; T26-M170 HydrophobicContact CG2-CB 3.82Å; T26-M170 HydrophobicContact CG2-CE 4.25Å; F86-M170 HydrophobicContact CZ-SD 4.5Å; M166-M170 HydrophobicContact CG-CG 4.39Å; M166-M170 HydrophobicContact CG-SD 3.89Å; M166-M170 WeakPolarHBondContact O-CB 3.26Å; M166-M170 VanDerWaalsContact O-CG 3.27Å; M166-M170 WeakPolarHBondContact O-CG 3.47Å; M166-M170 PolarHBondContact O-N 3.29Å; V167-M170 PolarHBondContact O-N 3.08Å; M170-N173 PolarHBondContact O-N 2.94Å; M170-D174 PolarHBondContact O-N 2.92Å
171V98.8Very high98Very high2 Ų251.4 Ų51.41%0.01226%0.26CS..Hα-helixtrans-64.9-42178.3172.40000111.3T26 A90 Q93 L94 V167 N173 D174 L175T26-V171 HydrophobicContact CG2-CG2 3.64Å; A90-V171 HydrophobicContact CB-CG2 3.82Å; Q93-V171 HydrophobicContact CB-CB 4.16Å; Q93-V171 HydrophobicContact CB-CG1 3.82Å; Q93-V171 HydrophobicContact CB-CG2 4.4Å; Q93-V171 HydrophobicContact CG-CB 4.4Å; Q93-V171 HydrophobicContact CG-CG2 4.43Å; L94-V171 HydrophobicContact CD1-CG1 4.26Å; L94-V171 HydrophobicContact CD2-CG1 3.43Å; L94-V171 VanDerWaalsContact CD2-CG1 3.43Å; L94-V171 HydrophobicContact CG-CG1 3.74Å; V167-V171 HydrophobicContact CG1-CG2 4.2Å; V167-V171 WeakPolarHBondContact O-CB 3.46Å; V167-V171 VanDerWaalsContact O-CG2 3.27Å; V167-V171 WeakPolarHBondContact O-CG2 3.24Å; V167-V171 PolarHBondContact O-N 2.91Å; V171-N173 VanDerWaalsContact C-N 3.32Å; V171-N173 PolarHBondContact O-N 2.92Å; V171-D174 PolarHBondContact O-N 3.11Å; V171-L175 WeakPolarHBondContact O-CB 3.37Å; V171-L175 PolarHBondContact O-N 3.31Å
172A98.7Very high97.9Very high57 Ų5751.3 Ų51.347%0.47126%0.262SS..Hα-helixtrans-60.7-42.9177.500000111.7S168 E169 E176S168-A172 VanDerWaalsContact O-CB 3.26Å; S168-A172 WeakPolarHBondContact O-CB 3.3Å; S168-A172 PolarHBondContact O-N 3.38Å; E169-A172 PolarHBondContact O-N 2.86Å; A172-E176 PolarHBondContact O-N 2.84Å; A172-E176 VanDerWaalsContact O-N 3.08Å
173N98.5Very high97.8Very high66 Ų6652.8 Ų52.835%0.35327%0.267SS..Hα-helixtrans-63.1-47.8177.2-174.5-104.7000112.2P14 R23 E169 M170 V171 E176 A177P14-N173 HydrophobicContact CB-CB 3.89Å; P14-N173 HydrophobicContact CG-CB 4.34Å; R23-N173 PolarHBondContact NH2-OD1 2.85Å; E169-N173 WeakPolarHBondContact O-CB 3.19Å; E169-N173 PolarHBondContact O-N 3.42Å; M170-N173 PolarHBondContact O-N 2.94Å; V171-N173 VanDerWaalsContact C-N 3.32Å; V171-N173 PolarHBondContact O-N 2.92Å; N173-E176 PolarHBondContact O-N 2.97Å; N173-A177 PolarHBondContact O-N 3.45Å
174D98.4Very high97.7Very high5 Ų555.8 Ų55.83%0.02728%0.283CS..Hα-helixtrans-71.4-32.9-178.7-70-33.4000112R23 T26 R27 A30 M170 V171 A177 A178R23-D174 IonicContact CZ-OD1 3.1Å; R23-D174 VanDerWaalsContact CZ-OD1 3.31Å; R23-D174 IonicContact NE-OD1 3.88Å; R23-D174 PolarHBondContact NE-OD1 2.67Å; R23-D174 IonicContact NE-OD2 3.35Å; R23-D174 PolarHBondContact NE-OD2 3.47Å; R23-D174 VanDerWaalsContact NE-OD2 3.12Å; R23-D174 IonicContact NH2-OD1 2.77Å; R23-D174 PolarHBondContact NH2-OD1 3.44Å; T26-D174 WeakPolarHBondContact CB-OD2 3.44Å; T26-D174 PolarHBondContact OG1-OD2 3.36Å; R27-D174 HydrophobicContact CG-CB 4.23Å; R27-D174 VanDerWaalsContact CG-CG 3.43Å; R27-D174 WeakPolarHBondContact CG-OD1 3.45Å; R27-D174 WeakPolarHBondContact CG-OD2 3.27Å; R27-D174 PolarHBondContact N-OD2 3.5Å; A30-D174 HydrophobicContact CB-CB 3.96Å; M170-D174 PolarHBondContact O-N 2.92Å; V171-D174 PolarHBondContact O-N 3.11Å; D174-A177 PolarHBondContact O-N 2.61Å; D174-A178 WeakPolarHBondContact O-CB 3.2Å; D174-A178 PolarHBondContact O-N 2.82Å
175L98.5Very high97.5Very high14 Ų1453 Ų537%0.07328%0.276CS..Hα-helixtrans-63.3-41.5172.6-179.867.7000111.8A30 Q34 L94 D118 V171 A177 A178 K179A30-L175 HydrophobicContact CB-CB 4.44Å; Q34-L175 HydrophobicContact CG-CD1 4.16Å; L94-L175 HydrophobicContact CD1-CD1 4.45Å; L94-L175 HydrophobicContact CD2-CB 4.36Å; L94-L175 HydrophobicContact CD2-CD1 4.1Å; L94-L175 HydrophobicContact CD2-CD2 3.71Å; L94-L175 HydrophobicContact CD2-CG 4.26Å; D118-L175 HydrophobicContact CB-CD2 3.96Å; V171-L175 WeakPolarHBondContact O-CB 3.37Å; V171-L175 PolarHBondContact O-N 3.31Å; L175-A177 VanDerWaalsContact C-N 3.3Å; L175-A177 PolarHBondContact O-N 3.11Å; L175-A178 PolarHBondContact O-N 3.3Å; L175-K179 HydrophobicContact CD1-CG 4.37Å; L175-K179 HydrophobicContact CG-CD 4.19Å; L175-K179 HydrophobicContact CG-CG 4.44Å; L175-K179 WeakPolarHBondContact O-CB 3.21Å; L175-K179 WeakPolarHBondContact O-CG 3.26Å; L175-K179 PolarHBondContact O-N 2.81Å
176E98.1Very high97.3Very high104 Ų10452 Ų5249%0.48628%0.281SS..Hα-helixtrans-60.3-43.6175.8-166.9-166.2151.200110.8A172 N173 K179 K180A172-E176 PolarHBondContact O-N 2.84Å; A172-E176 VanDerWaalsContact O-N 3.08Å; N173-E176 PolarHBondContact O-N 2.97Å; E176-K179 PolarHBondContact O-N 3.28Å; E176-K180 WeakPolarHBondContact O-CG 3.45Å; E176-K180 PolarHBondContact O-N 2.83Å; E176-K180 VanDerWaalsContact O-N 3.09Å; E176-K180 VanDerWaalsContact OE1-CE 3.25Å; E176-K180 WeakPolarHBondContact OE1-CE 3.42Å; E176-K180 IonicContact OE1-NZ 2.67Å; E176-K180 PolarHBondContact OE1-NZ 3.18Å
177A96.8Very high97.1Very high38 Ų3858.2 Ų58.231%0.31431%0.309SS..Hα-helixtrans-62.9-46.3175.300000111.9N173 D174 L175 K179 K180 H181N173-A177 PolarHBondContact O-N 3.45Å; D174-A177 PolarHBondContact O-N 2.61Å; L175-A177 VanDerWaalsContact C-N 3.3Å; L175-A177 PolarHBondContact O-N 3.11Å; A177-K179 PolarHBondContact O-N 3.24Å; A177-K180 WeakPolarHBondContact O-CB 3.3Å; A177-K180 PolarHBondContact O-N 2.85Å; A177-H181 PolarHBondContact O-N 2.97Å
178A97.1Very high96.9Very high0 Ų061.7 Ų61.70%035%0.345CS..Hα-helixtrans-61.7-41.9177.700000112.1A30 N31 Q34 L36 D174 L175 K180 H181 S182A30-A178 HydrophobicContact CB-CB 4.05Å; N31-A178 WeakPolarHBondContact OD1-CB 3.44Å; Q34-A178 HydrophobicContact CB-CB 4.19Å; Q34-A178 HydrophobicContact CG-CB 3.74Å; L36-A178 HydrophobicContact CD1-CB 4.2Å; L36-A178 WeakPolarHBondContact CD1-O 3.18Å; D174-A178 WeakPolarHBondContact O-CB 3.2Å; D174-A178 PolarHBondContact O-N 2.82Å; L175-A178 PolarHBondContact O-N 3.3Å; A178-K180 PolarHBondContact O-N 3.3Å; A178-H181 PolarHBondContact O-N 3.46Å; A178-S182 WeakPolarHBondContact O-CB 3.31Å; A178-S182 PolarHBondContact O-N 3.4Å
179K97.6Very high96.6Very high80 Ų8066.7 Ų66.735%0.34836%0.358SS..Hα-helixtrans-61.6-41.7175.3-78.1177.4176.4176.70111.8Q34 D118 L175 E176 A177 S182 L183Q34-K179 HydrophobicContact CG-CG 4.3Å; D118-K179 WeakPolarHBondContact OD1-CE 3.15Å; D118-K179 IonicContact OD1-NZ 2.67Å; D118-K179 PolarHBondContact OD1-NZ 2.72Å; L175-K179 HydrophobicContact CD1-CG 4.37Å; L175-K179 HydrophobicContact CG-CD 4.19Å; L175-K179 HydrophobicContact CG-CG 4.44Å; L175-K179 WeakPolarHBondContact O-CB 3.21Å; L175-K179 WeakPolarHBondContact O-CG 3.26Å; L175-K179 PolarHBondContact O-N 2.81Å; E176-K179 PolarHBondContact O-N 3.28Å; A177-K179 PolarHBondContact O-N 3.24Å; K179-S182 PolarHBondContact O-N 3.11Å; K179-L183 WeakPolarHBondContact O-CB 3.49Å; K179-L183 PolarHBondContact O-N 3.49Å
180K96.8Very high96Very high112 Ų11270.5 Ų70.549%0.48738%0.381SS..Hα-helixtrans-60.1-46.2174.5-72.5169.9-173.9166.30111.2E176 A177 A178 L183 L184E176-K180 WeakPolarHBondContact O-CG 3.45Å; E176-K180 PolarHBondContact O-N 2.83Å; E176-K180 VanDerWaalsContact O-N 3.09Å; E176-K180 VanDerWaalsContact OE1-CE 3.25Å; E176-K180 WeakPolarHBondContact OE1-CE 3.42Å; E176-K180 IonicContact OE1-NZ 2.67Å; E176-K180 PolarHBondContact OE1-NZ 3.18Å; A177-K180 WeakPolarHBondContact O-CB 3.3Å; A177-K180 PolarHBondContact O-N 2.85Å; A178-K180 PolarHBondContact O-N 3.3Å; K180-L183 PolarHBondContact O-N 2.85Å; K180-L184 WeakPolarHBondContact O-CG 3.34Å; K180-L184 PolarHBondContact O-N 3.45Å
181H96.1Very high95.4Very high51 Ų5171.9 Ų71.924%0.23639%0.389CS..Hα-helixtrans-62.9-44.9177.2-65.9162.2000112.4L36 A177 A178 L183 L184 K185 V191 I193L36-H181 HydrophobicContact CD1-CB 3.69Å; A177-H181 PolarHBondContact O-N 2.97Å; A178-H181 PolarHBondContact O-N 3.46Å; H181-L183 VanDerWaalsContact C-N 3.34Å; H181-L183 PolarHBondContact O-N 2.93Å; H181-L184 PolarHBondContact O-N 3.5Å; H181-K185 WeakPolarHBondContact O-CB 3.45Å; H181-K185 PolarHBondContact O-N 2.93Å; H181-V191 HydrophobicContact CB-CG1 3.82Å; H181-V191 WeakPolarHBondContact CD2-CG1 2.89Å; H181-I193 HydrophobicContact CB-CD1 4.15Å; H181-I193 HydrophobicContact CB-CG1 4.46Å
182S95Very high94.7Very high33 Ų3376.5 Ų76.523%0.23143%0.428CS..Hα-helixtrans-62.7-40.2177.7-171.70000112.2A178 K179 K185 S186A178-S182 WeakPolarHBondContact O-CB 3.31Å; A178-S182 PolarHBondContact O-N 3.4Å; K179-S182 PolarHBondContact O-N 3.11Å; S182-K185 PolarHBondContact O-N 3.09Å; S182-S186 WeakPolarHBondContact O-CB 3.39Å; S182-S186 PolarHBondContact O-N 2.91Å; S182-S186 PolarHBondContact O-OG 3.19Å
183L96.2Very high94Very high107 Ų10775.5 Ų75.556%0.5641%0.414SS*.Hα-helixtrans-64.1-46.5175.5-177.867000112.3K179 K180 H181 S186 H187K179-L183 WeakPolarHBondContact O-CB 3.49Å; K179-L183 PolarHBondContact O-N 3.49Å; K180-L183 PolarHBondContact O-N 2.85Å; H181-L183 VanDerWaalsContact C-N 3.34Å; H181-L183 PolarHBondContact O-N 2.93Å; L183-S186 PolarHBondContact O-N 3.14Å; L183-S186 PolarHBondContact O-OG 3.03Å; L183-H187 PolarHBondContact O-N 3.32Å; L183-H187 PolarHBondContact O-ND1 3.2Å
184L96.1Very high93Very high80 Ų8075.1 Ų75.142%0.41942%0.42SS..Hα-helixtrans-61.9-45.6177.5-73.5172.1000111K180 H181 S186 H187 G188 Y189 V191K180-L184 WeakPolarHBondContact O-CG 3.34Å; K180-L184 PolarHBondContact O-N 3.45Å; H181-L184 PolarHBondContact O-N 3.5Å; L184-S186 VanDerWaalsContact C-N 3.35Å; L184-S186 PolarHBondContact O-N 2.97Å; L184-H187 CarbonylContact O-C 3.55Å; L184-H187 PolarHBondContact O-N 2.96Å; L184-H187 VanDerWaalsContact O-N 3.11Å; L184-G188 PolarHBondContact O-N 2.91Å; L184-Y189 HydrophobicContact CD2-CD2 4.24Å; L184-Y189 HydrophobicContact CD2-CG 4.38Å; L184-Y189 WeakPolarHBondContact O-CB 3.41Å; L184-Y189 PolarHBondContact O-N 2.65Å; L184-V191 HydrophobicContact CB-CG2 3.5Å; L184-V191 VanDerWaalsContact CB-CG2 3.5Å; L184-V191 HydrophobicContact CD1-CG2 4.29Å
185K93.6Very high91.8Very high124 Ų12479.7 Ų79.754%0.53944%0.444SS..Hα-helixtrans-60.8-41.5177.4-171.2176.1-177.2178.10112.2L36 H181 S182 H187 G188 V191L36-K185 HydrophobicContact CD2-CD 3.97Å; H181-K185 WeakPolarHBondContact O-CB 3.45Å; H181-K185 PolarHBondContact O-N 2.93Å; S182-K185 PolarHBondContact O-N 3.09Å; K185-H187 PolarHBondContact O-N 3.35Å; K185-G188 PolarHBondContact O-N 2.97Å; K185-G188 VanDerWaalsContact O-N 3.09Å; K185-V191 HydrophobicContact CB-CG2 4.47Å
186S93.2Very high90.1Very high85 Ų8582.4 Ų82.459%0.59446%0.456SS*.Hα-helixtrans-67.6-18.417869.50000113.7S182 L183 L184S182-S186 WeakPolarHBondContact O-CB 3.39Å; S182-S186 PolarHBondContact O-N 2.91Å; S182-S186 PolarHBondContact O-OG 3.19Å; L183-S186 PolarHBondContact O-N 3.14Å; L183-S186 PolarHBondContact O-OG 3.03Å; L184-S186 VanDerWaalsContact C-N 3.35Å; L184-S186 PolarHBondContact O-N 2.97Å
187H95.7Very high88Confident130 Ų13083.4 Ų83.460%0.60247%0.474SS*.THydrogen-bonded Turntrans-100.314.8174.2-67.273.9000113.1L183 L184 K185 Y189L183-H187 PolarHBondContact O-N 3.32Å; L183-H187 PolarHBondContact O-ND1 3.2Å; L184-H187 CarbonylContact O-C 3.55Å; L184-H187 PolarHBondContact O-N 2.96Å; L184-H187 VanDerWaalsContact O-N 3.11Å; K185-H187 PolarHBondContact O-N 3.35Å; H187-Y189 HydrophobicContact CB-CD2 4.1Å; H187-Y189 HydrophobicContact CB-CE2 4.2Å
188G93Very high87.6Confident73 Ų7385.7 Ų85.775%0.75348%0.482SS*.THydrogen-bonded Turntrans81.112.1172.700000115.3L184 K185L184-G188 PolarHBondContact O-N 2.91Å; K185-G188 PolarHBondContact O-N 2.97Å; K185-G188 VanDerWaalsContact O-N 3.09Å
189Y93.6Very high87.1Confident152 Ų15290.2 Ų90.260%0.59651%0.508SS*.  trans-82.5139171.8-66.8-89.9000110.4L184 H187L184-Y189 HydrophobicContact CD2-CD2 4.24Å; L184-Y189 HydrophobicContact CD2-CG 4.38Å; L184-Y189 WeakPolarHBondContact O-CB 3.41Å; L184-Y189 PolarHBondContact O-N 2.65Å; H187-Y189 HydrophobicContact CB-CD2 4.1Å; H187-Y189 HydrophobicContact CB-CE2 4.2Å
190D86.3Confident86.5Confident167 Ų16790.7 Ų90.789%0.89352%0.517SS*.  trans-73.9131.5167.6-167.812.4000109.4
191V85.3Confident85.9Confident29 Ų2989.5 Ų89.518%0.17652%0.518CS..  trans-128.1111.5-175.9-170.50000107.8H181 L184 K185 I193H181-V191 HydrophobicContact CB-CG1 3.82Å; H181-V191 WeakPolarHBondContact CD2-CG1 2.89Å; L184-V191 HydrophobicContact CB-CG2 3.5Å; L184-V191 VanDerWaalsContact CB-CG2 3.5Å; L184-V191 HydrophobicContact CD1-CG2 4.29Å; K185-V191 HydrophobicContact CB-CG2 4.47Å; V191-I193 HydrophobicContact CG1-CG1 4.29Å; V191-I193 PolarHBondContact O-N 2.77Å; V191-I193 VanDerWaalsContact O-N 3.15Å
192A83.6Confident85.2Confident100 Ų10091.9 Ų91.983%0.82654%0.536SS*.  trans-72.2107.7174.300000109.4
193I83.9Confident84.6Confident36 Ų3695.8 Ų95.819%0.18556%0.556CS.*  trans-102.4124.8170.4-55.7176.5000106.9L36 H181 V191 L195L36-I193 HydrophobicContact CB-CD1 3.75Å; L36-I193 HydrophobicContact CD1-CD1 3.76Å; L36-I193 HydrophobicContact CD2-CD1 3.87Å; L36-I193 HydrophobicContact CG-CD1 4Å; H181-I193 HydrophobicContact CB-CD1 4.15Å; H181-I193 HydrophobicContact CB-CG1 4.46Å; V191-I193 HydrophobicContact CG1-CG1 4.29Å; V191-I193 PolarHBondContact O-N 2.77Å; V191-I193 VanDerWaalsContact O-N 3.15Å; I193-L195 HydrophobicContact CB-CD2 4.37Å; I193-L195 HydrophobicContact CG2-CD2 3.81Å; I193-L195 HydrophobicContact CG2-CG 4.49Å; I193-L195 PolarHBondContact O-N 2.81Å
194A77.4Confident83.8Confident57 Ų5795 Ų9547%0.47156%0.556SS.*  trans-70.897.1172.400000108.8
195L73.2Confident82.8Confident102 Ų10296.2 Ų96.253%0.53457%0.567SS.*  trans-87.2137173.5-59-177.3000109.3E37 I193E37-L195 HydrophobicContact CG-CD2 3.21Å; E37-L195 VanDerWaalsContact OE1-CD2 3.22Å; E37-L195 WeakPolarHBondContact OE1-CD2 3.4Å; I193-L195 HydrophobicContact CB-CD2 4.37Å; I193-L195 HydrophobicContact CG2-CD2 3.81Å; I193-L195 HydrophobicContact CG2-CG 4.49Å; I193-L195 PolarHBondContact O-N 2.81Å
196E63Low81.9Confident71 Ų7193.8 Ų93.833%0.33257%0.569SS.*  trans-83.4115.6168.8-71.6-145.5164.400110.1T19 K24T19-E196 WeakPolarHBondContact CA-OE1 3.22Å; T19-E196 WeakPolarHBondContact CG2-OE1 3.41Å; K24-E196 WeakPolarHBondContact CD-OE2 3.4Å; K24-E196 VanDerWaalsContact CE-OE2 3.24Å; K24-E196 WeakPolarHBondContact CE-OE2 3.18Å; K24-E196 IonicContact NZ-OE2 3.35Å; K24-E196 PolarHBondContact NZ-OE2 2.8Å
197S55.1Low80.9Confident124 Ų12494.6 Ų94.687%0.86757%0.567SS**  trans-98.10175.761.40000112.7R134R134-S197 PolarHBondContact NH1-OXT 2.92Å; R134-S197 PolarHBondContact NH2-OXT 2.58Å

Retrieved 197 of 197 residues in 348.5 ms (Link to these results)

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