A0A3Q0KC61_SCHMA Loading...

Beta-ketoacyl-acyl-carrier-protein synthase I

AlphaFold DB , UniProt , Accession A0A3Q0KC61, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 441 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40Very low52Low111 Ų11182.3 Ų82.355%0.54746%0.459SS..  0117.60-69.8-177.8-154.700109.6F5 D24M1-F5 HydrophobicContact SD-CD1 4.49Å; M1-D24 PolarHBondContact N-OD2 2.65Å
2G40.5Very low53.2Low55 Ų5581.3 Ų81.357%0.56745%0.451SS*.  trans-72.2169.5-176.100000112.9S4 F5G2-S4 PolarHBondContact O-N 3.13Å; G2-F5 PolarHBondContact O-N 3.25Å
3E43.7Very low54.3Low185 Ų18589.5 Ų89.586%0.86448%0.479SS*.Hα-helixtrans-44.8-13-179-64.3174.2150.400116.1G7E3-G7 WeakPolarHBondContact O-CA 3.44Å; E3-G7 PolarHBondContact O-N 3.08Å; E3-G7 VanDerWaalsContact O-N 3.08Å
4S52Low55.5Low85 Ų8593.6 Ų93.659%0.59450%0.501SS*.Hα-helixtrans-71-46.4-177.966.80000114.8G2 I8G2-S4 PolarHBondContact O-N 3.13Å; S4-I8 WeakPolarHBondContact O-CD1 3.26Å; S4-I8 VanDerWaalsContact O-CG1 3.25Å; S4-I8 WeakPolarHBondContact O-CG1 3.49Å; S4-I8 PolarHBondContact O-N 3.32Å
5F51Low57.4Low23 Ų2387.5 Ų87.510%0.10147%0.468CS..Hα-helixtrans-69.8-52.4-173.2170.5-111.9000111.6M1 G2 G7 L9 F19 L175 A177 I180M1-F5 HydrophobicContact SD-CD1 4.49Å; G2-F5 PolarHBondContact O-N 3.25Å; F5-G7 VanDerWaalsContact C-N 3.34Å; F5-G7 PolarHBondContact O-N 3.07Å; F5-L9 HydrophobicContact CD1-CD1 4.4Å; F5-L9 HydrophobicContact CD2-CD1 4.06Å; F5-L9 HydrophobicContact CE1-CD1 3.92Å; F5-L9 HydrophobicContact CE2-CD1 3.49Å; F5-L9 VanDerWaalsContact CE2-CD1 3.49Å; F5-L9 HydrophobicContact CE2-CG 4.4Å; F5-L9 HydrophobicContact CZ-CD1 3.48Å; F5-L9 VanDerWaalsContact CZ-CD1 3.48Å; F5-L9 PolarHBondContact O-N 2.9Å; F5-F19 HydrophobicContact CD1-CZ 4.19Å; F5-F19 HydrophobicContact CE1-CD1 4.27Å; F5-F19 AromaticContact CE1-CE1 3.7Å; F5-F19 HydrophobicContact CE1-CE1 3.7Å; F5-F19 AromaticContact CE1-CE2 3.98Å; F5-F19 HydrophobicContact CE1-CE2 3.98Å; F5-F19 AromaticContact CE1-CZ 3.55Å; F5-F19 HydrophobicContact CE1-CZ 3.55Å; F5-F19 HydrophobicContact CZ-CE1 4.4Å; F5-L175 HydrophobicContact CZ-CB 4.39Å; F5-A177 HydrophobicContact CD2-CB 4.42Å; F5-I180 HydrophobicContact CE1-CD1 4.44Å; F5-I180 HydrophobicContact CE2-CD1 3.91Å; F5-I180 HydrophobicContact CZ-CD1 3.4Å
6A52Low59.3Low36 Ų3682.1 Ų82.130%0.29844%0.439SS..Hα-helixtrans-58.9-49.7175.100000109.2I8 L9 W10A6-I8 PolarHBondContact O-N 2.7Å; A6-L9 PolarHBondContact O-N 3.3Å; A6-L9 VanDerWaalsContact O-N 3.12Å; A6-W10 VanDerWaalsContact O-CG 3.29Å; A6-W10 PolarHBondContact O-N 3.15Å; A6-W10 PolarHBondContact O-NE1 3.05Å
7G54.2Low61Low27 Ų2779.3 Ų79.328%0.27842%0.423SS..Hα-helixtrans-56.1-41.9-178.200000115E3 F5 N11E3-G7 WeakPolarHBondContact O-CA 3.44Å; E3-G7 PolarHBondContact O-N 3.08Å; E3-G7 VanDerWaalsContact O-N 3.08Å; F5-G7 VanDerWaalsContact C-N 3.34Å; F5-G7 PolarHBondContact O-N 3.07Å; G7-N11 PolarHBondContact O-ND2 3.16Å; G7-N11 VanDerWaalsContact O-ND2 3.08Å
8I58Low62.6Low93 Ų9375.2 Ų75.248%0.47740%0.402SS..Hα-helixtrans-65.9-43.4177.6-70.1162.2000110.8S4 A6 N11 A177S4-I8 WeakPolarHBondContact O-CD1 3.26Å; S4-I8 VanDerWaalsContact O-CG1 3.25Å; S4-I8 WeakPolarHBondContact O-CG1 3.49Å; S4-I8 PolarHBondContact O-N 3.32Å; A6-I8 PolarHBondContact O-N 2.7Å; I8-N11 PolarHBondContact O-N 3.15Å; I8-A177 HydrophobicContact CG2-CB 3.93Å
9L58.5Low64.3Low3 Ų374.6 Ų74.62%0.01640%0.395CS..Hα-helixtrans-67.7-39.4-179.3-71.9168.4000112.5F5 A6 N11 I12 H17 A177 I180F5-L9 HydrophobicContact CD1-CD1 4.4Å; F5-L9 HydrophobicContact CD2-CD1 4.06Å; F5-L9 HydrophobicContact CE1-CD1 3.92Å; F5-L9 HydrophobicContact CE2-CD1 3.49Å; F5-L9 VanDerWaalsContact CE2-CD1 3.49Å; F5-L9 HydrophobicContact CE2-CG 4.4Å; F5-L9 HydrophobicContact CZ-CD1 3.48Å; F5-L9 VanDerWaalsContact CZ-CD1 3.48Å; F5-L9 PolarHBondContact O-N 2.9Å; A6-L9 PolarHBondContact O-N 3.3Å; A6-L9 VanDerWaalsContact O-N 3.12Å; L9-N11 PolarHBondContact O-N 2.79Å; L9-N11 VanDerWaalsContact O-N 3.15Å; L9-I12 PolarHBondContact O-N 3.23Å; L9-H17 PolarHBondContact O-NE2 3.09Å; L9-A177 HydrophobicContact CD2-CB 4.28Å; L9-A177 HydrophobicContact CG-CB 4.4Å; L9-I180 HydrophobicContact CD1-CD1 3.59Å; L9-I180 HydrophobicContact CD2-CB 3.94Å; L9-I180 HydrophobicContact CD2-CD1 4.45Å; L9-I180 HydrophobicContact CD2-CG2 3.67Å
10W59.7Low65.7Low148 Ų14872 Ų7256%0.56139%0.387SS*.Hα-helixtrans-58.9-25.8177.6-67.6121.6000112.8A6 H17A6-W10 VanDerWaalsContact O-CG 3.29Å; A6-W10 PolarHBondContact O-N 3.15Å; A6-W10 PolarHBondContact O-NE1 3.05Å; W10-H17 HydrophobicContact CE3-CB 4.39Å; W10-H17 AromaticContact CE3-CE1 3.51Å; W10-H17 AromaticContact CE3-CG 3.79Å; W10-H17 AromaticContact CE3-ND1 3.22Å; W10-H17 HydrophobicContact CH2-CB 3.95Å; W10-H17 HydrophobicContact CZ2-CB 4.47Å; W10-H17 HydrophobicContact CZ3-CB 3.92Å; W10-H17 AromaticContact CZ3-CE1 3.98Å; W10-H17 AromaticContact CZ3-CG 3.73Å; W10-H17 AromaticContact CZ3-ND1 3.21Å; W10-H17 WeakPolarHBondContact CZ3-ND1 3.36Å
11N61.9Low67.1Low139 Ų13971.7 Ų71.774%0.74339%0.391SS*.Hα-helixtrans-85.7-15.9179-71-37.7000114.1G7 I8 L9 K13G7-N11 PolarHBondContact O-ND2 3.16Å; G7-N11 VanDerWaalsContact O-ND2 3.08Å; I8-N11 PolarHBondContact O-N 3.15Å; L9-N11 PolarHBondContact O-N 2.79Å; L9-N11 VanDerWaalsContact O-N 3.15Å; N11-K13 PolarHBondContact O-N 3.41Å
12I66.3Low69.7Low71 Ų7169 Ų6936%0.36438%0.378SS..SBendtrans-85.9104.2176.7-57.5168.9000107.4L9 D14 A15L9-I12 PolarHBondContact O-N 3.23Å; I12-D14 PolarHBondContact O-N 2.81Å; I12-A15 HydrophobicContact CB-CB 3.75Å; I12-A15 HydrophobicContact CG2-CB 3.77Å; I12-A15 VanDerWaalsContact O-CB 3.25Å; I12-A15 WeakPolarHBondContact O-CB 3.47Å; I12-A15 PolarHBondContact O-N 2.72Å; I12-A15 VanDerWaalsContact O-N 3.13Å
13K68.3Low72.2Confident188 Ų18869.1 Ų69.182%0.81737%0.365SS*.THydrogen-bonded Turntrans-52.6139172-82.4-172.6175.4-177.50110.2N11 A15N11-K13 PolarHBondContact O-N 3.41Å; K13-A15 PolarHBondContact O-N 3.43Å
14D71.4Confident74.7Confident146 Ų14663.3 Ų63.378%0.78134%0.34SS*.THydrogen-bonded Turntrans63.412.1-179.7-47.8-44.3000115.3I12I12-D14 PolarHBondContact O-N 2.81Å
15A83Confident76.8Confident2 Ų267.7 Ų67.72%0.01734%0.344CS..  trans-74.7152.8171.200000112.1I12 K13 N194I12-A15 HydrophobicContact CB-CB 3.75Å; I12-A15 HydrophobicContact CG2-CB 3.77Å; I12-A15 VanDerWaalsContact O-CB 3.25Å; I12-A15 WeakPolarHBondContact O-CB 3.47Å; I12-A15 PolarHBondContact O-N 2.72Å; I12-A15 VanDerWaalsContact O-N 3.13Å; K13-A15 PolarHBondContact O-N 3.43Å; A15-N194 PolarHBondContact O-ND2 3.02Å
16C88.3Confident78.9Confident1 Ų173.1 Ų73.11%0.00737%0.367CS..  trans-71128.5170.3179.70000109.8V18 I180 C184 L189 C190 T191C16-V18 PolarHBondContact SG-N 2.8Å; C16-V18 VanDerWaalsContact SG-N 3.42Å; C16-V18 PolarHBondContact SG-O 2.82Å; C16-I180 HydrophobicContact CB-CG2 4.17Å; C16-C184 VanDerWaalsContact CB-SG 3.58Å; C16-C184 PolarHBondContact N-SG 3.35Å; C16-L189 HydrophobicContact CB-CB 3.74Å; C16-L189 HydrophobicContact CB-CD1 3.69Å; C16-L189 HydrophobicContact CB-CG 4.35Å; C16-C190 PolarHBondContact SG-O 2.88Å; C16-T191 HydrophobicContact CB-CG2 4.11Å
17H88Confident81Confident35 Ų3571.9 Ų71.916%0.16236%0.355CS..  trans-111.67.8175.2-56.5154.7000112.2L9 W10 N194L9-H17 PolarHBondContact O-NE2 3.09Å; W10-H17 HydrophobicContact CE3-CB 4.39Å; W10-H17 AromaticContact CE3-CE1 3.51Å; W10-H17 AromaticContact CE3-CG 3.79Å; W10-H17 AromaticContact CE3-ND1 3.22Å; W10-H17 HydrophobicContact CH2-CB 3.95Å; W10-H17 HydrophobicContact CZ2-CB 4.47Å; W10-H17 HydrophobicContact CZ3-CB 3.92Å; W10-H17 AromaticContact CZ3-CE1 3.98Å; W10-H17 AromaticContact CZ3-CG 3.73Å; W10-H17 AromaticContact CZ3-ND1 3.21Å; W10-H17 WeakPolarHBondContact CZ3-ND1 3.36Å; H17-N194 HydrophobicContact CB-CB 4.27Å; H17-N194 PolarHBondContact N-OD1 3Å; H17-N194 PolarHBondContact ND1-ND2 3.17Å
18V90.6Very high83Confident6 Ų675.2 Ų75.24%0.03636%0.364CS..  trans-107.5122.8-178.3-169.90000110.7C16 F193 P197 A200 V212C16-V18 PolarHBondContact SG-N 2.8Å; C16-V18 VanDerWaalsContact SG-N 3.42Å; C16-V18 PolarHBondContact SG-O 2.82Å; V18-F193 WeakPolarHBondContact CG2-O 3.46Å; V18-P197 HydrophobicContact CB-CB 4.28Å; V18-P197 HydrophobicContact CG1-CB 3.56Å; V18-P197 HydrophobicContact CG2-CB 3.94Å; V18-A200 HydrophobicContact CB-CB 4.29Å; V18-A200 HydrophobicContact CG1-CB 3.76Å; V18-A200 HydrophobicContact CG2-CB 4.21Å; V18-V212 HydrophobicContact CG1-CG1 3.84Å; V18-V212 HydrophobicContact CG1-CG2 3.92Å
19F93.4Very high84.9Confident63 Ų6376.4 Ų76.428%0.27637%0.368SS..EExtended strand (participates in β ladder)trans-154.1154.6175.252.9-90.8000111.2F5 L175 I180 L213F5-F19 HydrophobicContact CD1-CZ 4.19Å; F5-F19 HydrophobicContact CE1-CD1 4.27Å; F5-F19 AromaticContact CE1-CE1 3.7Å; F5-F19 HydrophobicContact CE1-CE1 3.7Å; F5-F19 AromaticContact CE1-CE2 3.98Å; F5-F19 HydrophobicContact CE1-CE2 3.98Å; F5-F19 AromaticContact CE1-CZ 3.55Å; F5-F19 HydrophobicContact CE1-CZ 3.55Å; F5-F19 HydrophobicContact CZ-CE1 4.4Å; F19-L175 HydrophobicContact CB-CD2 3.97Å; F19-L175 HydrophobicContact CD2-CD1 4.08Å; F19-L175 HydrophobicContact CD2-CD2 4.44Å; F19-L175 HydrophobicContact CG-CD2 4.42Å; F19-I180 HydrophobicContact CD1-CD1 4.44Å; F19-L213 CarbonylContact C-O 3.56Å; F19-L213 WeakPolarHBondContact CA-O 3.35Å; F19-L213 VanDerWaalsContact CB-O 3.31Å; F19-L213 WeakPolarHBondContact CB-O 3.18Å
20G93.7Very high86.8Confident22 Ų2279.4 Ų79.423%0.22738%0.381CS..EExtended strand (participates in β ladder)trans-94.6124.9169.400000110.4L175 L213 S214 E215G20-L175 WeakPolarHBondContact O-CD1 3.36Å; G20-L213 PolarHBondContact N-O 2.94Å; G20-S214 VanDerWaalsContact O-CA 3.32Å; G20-S214 WeakPolarHBondContact O-CA 3.22Å; G20-S214 PolarHBondContact O-OG 3.43Å; G20-E215 PolarHBondContact O-N 3.29Å
21S93.9Very high88.6Confident67 Ų6774 Ų7447%0.46936%0.362SS..  trans-128.5151.6177.865.10000112.6L175 E215S21-L175 VanDerWaalsContact CB-CD1 3.47Å; S21-E215 VanDerWaalsContact CA-OE1 3.32Å; S21-E215 WeakPolarHBondContact CA-OE1 3.35Å; S21-E215 WeakPolarHBondContact CB-OE1 3.33Å
22I94.5Very high90.3Very high54 Ų5470 Ų7028%0.27735%0.345SS..  trans-89.6129.1173.5-66.7170.9000108.4D24 L27 R55 L59 E215I22-D24 PolarHBondContact O-N 3.49Å; I22-L27 HydrophobicContact CG2-CB 4.34Å; I22-R55 PolarHBondContact O-NH2 3.45Å; I22-L59 HydrophobicContact CD1-CD1 3.91Å; I22-L59 HydrophobicContact CD1-CD2 3.46Å; I22-L59 VanDerWaalsContact CD1-CD2 3.46Å; I22-L59 HydrophobicContact CD1-CG 4.34Å; I22-E215 HydrophobicContact CB-CG 4.34Å; I22-E215 HydrophobicContact CD1-CG 4.13Å; I22-E215 HydrophobicContact CG1-CG 3.97Å; I22-E215 PolarHBondContact N-OE1 3.3Å
23D95Very high91.8Very high58 Ų5871.5 Ų71.531%0.3135%0.353SS..  trans-59.2124177-174.6-57.2000110.4R25 K26 L27D23-R25 PolarHBondContact O-N 2.84Å; D23-R25 WeakPolarHBondContact OD1-CA 3.41Å; D23-R25 VanDerWaalsContact OD1-CB 3.23Å; D23-R25 WeakPolarHBondContact OD1-CB 3.38Å; D23-R25 PolarHBondContact OD1-N 2.83Å; D23-R25 IonicContact OD1-NE 3.35Å; D23-R25 PolarHBondContact OD1-NE 2.77Å; D23-R25 IonicContact OD1-NH2 2.79Å; D23-R25 IonicContact OD2-CZ 2.67Å; D23-R25 IonicContact OD2-NE 2.76Å; D23-R25 IonicContact OD2-NH2 3.06Å; D23-R25 PolarHBondContact OD2-NH2 2.75Å; D23-K26 HydrophobicContact CB-CB 4.24Å; D23-K26 HydrophobicContact CB-CD 4.22Å; D23-K26 HydrophobicContact CB-CG 4.1Å; D23-K26 PolarHBondContact O-N 3.01Å; D23-K26 VanDerWaalsContact O-N 3.15Å; D23-K26 PolarHBondContact OD1-N 3.42Å; D23-L27 PolarHBondContact O-N 2.84Å
24D94.1Very high93.2Very high62 Ų6262.7 Ų62.733%0.33232%0.315SS..Hα-helixtrans-59.2-33-176.5-68.1-32.4000113.1M1 I22 L27 E28 R55M1-D24 PolarHBondContact N-OD2 2.65Å; I22-D24 PolarHBondContact O-N 3.49Å; D24-L27 PolarHBondContact O-N 3.45Å; D24-E28 PolarHBondContact O-N 2.88Å; D24-E28 VanDerWaalsContact O-N 3.07Å; D24-R55 IonicContact OD1-CZ 3.69Å; D24-R55 IonicContact OD1-NH1 3.79Å; D24-R55 PolarHBondContact OD1-NH1 3.39Å; D24-R55 IonicContact OD1-NH2 2.78Å
25R96.2Very high94.4Very high178 Ų17858.2 Ų58.267%0.67229%0.289SS*.Hα-helixtrans-70.5-43.8178.6-60169-69-177.7-1.4110.4D23 L27 E28 E29D23-R25 PolarHBondContact O-N 2.84Å; D23-R25 WeakPolarHBondContact OD1-CA 3.41Å; D23-R25 VanDerWaalsContact OD1-CB 3.23Å; D23-R25 WeakPolarHBondContact OD1-CB 3.38Å; D23-R25 PolarHBondContact OD1-N 2.83Å; D23-R25 IonicContact OD1-NE 3.35Å; D23-R25 PolarHBondContact OD1-NE 2.77Å; D23-R25 IonicContact OD1-NH2 2.79Å; D23-R25 IonicContact OD2-CZ 2.67Å; D23-R25 IonicContact OD2-NE 2.76Å; D23-R25 IonicContact OD2-NH2 3.06Å; D23-R25 PolarHBondContact OD2-NH2 2.75Å; R25-L27 VanDerWaalsContact C-N 3.28Å; R25-L27 PolarHBondContact O-N 3.26Å; R25-E28 PolarHBondContact O-N 2.81Å; R25-E29 WeakPolarHBondContact O-CG 3.36Å; R25-E29 PolarHBondContact O-N 3.15Å
26K95.8Very high95Very high137 Ų13761.9 Ų61.960%0.59632%0.315SS*.Hα-helixtrans-62.1-39.2174.6-68.7-172.3176.8-177.70111.2D23 E28 E29 Q30D23-K26 HydrophobicContact CB-CB 4.24Å; D23-K26 HydrophobicContact CB-CD 4.22Å; D23-K26 HydrophobicContact CB-CG 4.1Å; D23-K26 PolarHBondContact O-N 3.01Å; D23-K26 VanDerWaalsContact O-N 3.15Å; D23-K26 PolarHBondContact OD1-N 3.42Å; K26-E28 VanDerWaalsContact C-N 3.34Å; K26-E28 PolarHBondContact O-N 2.9Å; K26-E29 PolarHBondContact O-N 2.95Å; K26-Q30 WeakPolarHBondContact O-CG 3.45Å; K26-Q30 PolarHBondContact O-N 3.41Å
27L96.4Very high95.3Very high9 Ų963.8 Ų63.85%0.04732%0.324CS..Hα-helixtrans-60.6-44.2175.7179.660.5000111.6I22 D23 D24 R25 Q30 K31 R55 L59 I62I22-L27 HydrophobicContact CG2-CB 4.34Å; D23-L27 PolarHBondContact O-N 2.84Å; D24-L27 PolarHBondContact O-N 3.45Å; R25-L27 VanDerWaalsContact C-N 3.28Å; R25-L27 PolarHBondContact O-N 3.26Å; L27-Q30 PolarHBondContact O-N 3.43Å; L27-K31 WeakPolarHBondContact O-CG 3.21Å; L27-K31 PolarHBondContact O-N 2.66Å; L27-R55 HydrophobicContact CD2-CG 4.32Å; L27-L59 HydrophobicContact CD1-CD2 3.62Å; L27-I62 HydrophobicContact CD1-CD1 3.35Å
28E96.8Very high95.6Very high98 Ų9862.1 Ų62.146%0.45832%0.316SS..Hα-helixtrans-68.9-37.5179.9-160.561.6-161.200112.7D24 R25 K26 Q30 K31 S32D24-E28 PolarHBondContact O-N 2.88Å; D24-E28 VanDerWaalsContact O-N 3.07Å; R25-E28 PolarHBondContact O-N 2.81Å; K26-E28 VanDerWaalsContact C-N 3.34Å; K26-E28 PolarHBondContact O-N 2.9Å; E28-Q30 VanDerWaalsContact C-N 3.33Å; E28-Q30 PolarHBondContact O-N 3.32Å; E28-K31 PolarHBondContact O-N 3.04Å; E28-K31 WeakPolarHBondContact OE2-CD 3.23Å; E28-K31 IonicContact OE2-NZ 3.46Å; E28-K31 PolarHBondContact OE2-NZ 3.03Å; E28-S32 PolarHBondContact O-N 2.95Å; E28-S32 PolarHBondContact O-OG 2.68Å; E28-S32 VanDerWaalsContact O-OG 3.13Å
29E97.5Very high95.7Very high118 Ų11869.1 Ų69.155%0.55134%0.343SS*.Hα-helixtrans-57.9-45.7169.9-72.1169.1-170.100111R25 K26 S32 L33R25-E29 WeakPolarHBondContact O-CG 3.36Å; R25-E29 PolarHBondContact O-N 3.15Å; K26-E29 PolarHBondContact O-N 2.95Å; E29-S32 PolarHBondContact O-N 3.06Å; E29-L33 WeakPolarHBondContact O-CG 3.31Å; E29-L33 PolarHBondContact O-N 2.87Å; E29-L33 VanDerWaalsContact O-N 3.16Å
30Q97.8Very high95.6Very high66 Ų6673.8 Ų73.831%0.30836%0.363SS..Hα-helixtrans-64.9-39.8178.3-70.3-53.2-42.400112.7K26 L27 E28 S32 L33 V34 I62K26-Q30 WeakPolarHBondContact O-CG 3.45Å; K26-Q30 PolarHBondContact O-N 3.41Å; L27-Q30 PolarHBondContact O-N 3.43Å; E28-Q30 VanDerWaalsContact C-N 3.33Å; E28-Q30 PolarHBondContact O-N 3.32Å; Q30-S32 VanDerWaalsContact C-N 3.3Å; Q30-S32 PolarHBondContact O-N 2.95Å; Q30-L33 WeakPolarHBondContact O-CB 3.12Å; Q30-L33 PolarHBondContact O-N 3.47Å; Q30-V34 VanDerWaalsContact O-CG2 3.32Å; Q30-V34 WeakPolarHBondContact O-CG2 3.5Å; Q30-V34 PolarHBondContact O-N 3.42Å; Q30-I62 HydrophobicContact CB-CD1 3.85Å; Q30-I62 HydrophobicContact CB-CG1 4.21Å; Q30-I62 HydrophobicContact CB-CG2 4.04Å; Q30-I62 HydrophobicContact CG-CG2 4.44Å
31K98Very high95.2Very high33 Ų3374.5 Ų74.514%0.14336%0.364CS..Hα-helixtrans-58-43.3174.6-70.7179.5-166.1158.20112.3L27 E28 L33 V34 E35 W50 I62L27-K31 WeakPolarHBondContact O-CG 3.21Å; L27-K31 PolarHBondContact O-N 2.66Å; E28-K31 PolarHBondContact O-N 3.04Å; E28-K31 WeakPolarHBondContact OE2-CD 3.23Å; E28-K31 IonicContact OE2-NZ 3.46Å; E28-K31 PolarHBondContact OE2-NZ 3.03Å; K31-L33 VanDerWaalsContact C-N 3.3Å; K31-L33 PolarHBondContact O-N 3.4Å; K31-V34 PolarHBondContact O-N 3.36Å; K31-E35 WeakPolarHBondContact O-CG 3.48Å; K31-E35 PolarHBondContact O-N 3.11Å; K31-W50 HydrophobicContact CB-CD2 4.39Å; K31-W50 HydrophobicContact CB-CH2 4.3Å; K31-W50 HydrophobicContact CB-CZ2 3.78Å; K31-W50 HydrophobicContact CD-CD2 3.89Å; K31-W50 HydrophobicContact CD-CE3 4.03Å; K31-W50 HydrophobicContact CD-CG 4.23Å; K31-W50 HydrophobicContact CD-CZ3 4.45Å; K31-W50 HydrophobicContact CG-CD2 4.1Å; K31-W50 HydrophobicContact CG-CE3 4.11Å; K31-W50 HydrophobicContact CG-CH2 3.95Å; K31-W50 HydrophobicContact CG-CZ2 3.91Å; K31-W50 HydrophobicContact CG-CZ3 4.05Å; K31-I62 HydrophobicContact CG-CD1 4.26Å
32S97.1Very high94.9Very high55 Ų5573.1 Ų73.139%0.38535%0.354SS..Hα-helixtrans-63-37178.2-56.20000112.1E28 E29 Q30 S36E28-S32 PolarHBondContact O-N 2.95Å; E28-S32 PolarHBondContact O-OG 2.68Å; E28-S32 VanDerWaalsContact O-OG 3.13Å; E29-S32 PolarHBondContact O-N 3.06Å; Q30-S32 VanDerWaalsContact C-N 3.3Å; Q30-S32 PolarHBondContact O-N 2.95Å; S32-S36 PolarHBondContact O-N 3.39Å; S32-S36 PolarHBondContact O-OG 2.82Å; S32-S36 VanDerWaalsContact O-OG 3.05Å
33L97.6Very high94.7Very high103 Ų10373.3 Ų73.354%0.53937%0.369SS..Hα-helixtrans-67.6-41.4174.2-67.6174.4000111.9E29 Q30 K31 S36 E37E29-L33 WeakPolarHBondContact O-CG 3.31Å; E29-L33 PolarHBondContact O-N 2.87Å; E29-L33 VanDerWaalsContact O-N 3.16Å; Q30-L33 WeakPolarHBondContact O-CB 3.12Å; Q30-L33 PolarHBondContact O-N 3.47Å; K31-L33 VanDerWaalsContact C-N 3.3Å; K31-L33 PolarHBondContact O-N 3.4Å; L33-S36 PolarHBondContact O-N 3.18Å; L33-E37 PolarHBondContact O-N 2.84Å
34V97.6Very high94.5Very high4 Ų472.9 Ų72.92%0.02437%0.367CS..Hα-helixtrans-63.4-43.8176.6173.20000111.3Q30 K31 S36 E37 V38 I46 W50 I61 I62 C65Q30-V34 VanDerWaalsContact O-CG2 3.32Å; Q30-V34 WeakPolarHBondContact O-CG2 3.5Å; Q30-V34 PolarHBondContact O-N 3.42Å; K31-V34 PolarHBondContact O-N 3.36Å; V34-S36 VanDerWaalsContact C-N 3.29Å; V34-S36 PolarHBondContact O-N 3.45Å; V34-E37 PolarHBondContact O-N 3.29Å; V34-V38 HydrophobicContact CG1-CG2 4Å; V34-V38 WeakPolarHBondContact O-CB 3.45Å; V34-V38 VanDerWaalsContact O-CG2 3.29Å; V34-V38 WeakPolarHBondContact O-CG2 3.08Å; V34-V38 PolarHBondContact O-N 3.05Å; V34-I46 HydrophobicContact CG1-CD1 3.99Å; V34-W50 HydrophobicContact CB-CH2 4.41Å; V34-W50 HydrophobicContact CB-CZ2 4.23Å; V34-W50 HydrophobicContact CG1-CH2 4.11Å; V34-W50 HydrophobicContact CG1-CZ2 4.11Å; V34-I61 HydrophobicContact CG1-CG2 3.96Å; V34-I62 HydrophobicContact CG2-CB 4.26Å; V34-I62 HydrophobicContact CG2-CG1 3.78Å; V34-I62 HydrophobicContact CG2-CG2 4.49Å; V34-C65 HydrophobicContact CB-CB 4.44Å; V34-C65 HydrophobicContact CG1-CB 4.02Å; V34-C65 HydrophobicContact CG2-CB 3.77Å
35E97.1Very high94.5Very high52 Ų5274.5 Ų74.524%0.24338%0.375CS..Hα-helixtrans-54.4-47.9174.6-73.1168.8-17600111.5K31 Y39 I46 W50K31-E35 WeakPolarHBondContact O-CG 3.48Å; K31-E35 PolarHBondContact O-N 3.11Å; E35-Y39 VanDerWaalsContact O-CB 3.26Å; E35-Y39 WeakPolarHBondContact O-CB 3.33Å; E35-Y39 PolarHBondContact O-N 3.04Å; E35-I46 HydrophobicContact CG-CG1 4.12Å; E35-W50 HydrophobicContact CG-CZ2 4.44Å; E35-W50 PolarHBondContact OE1-NE1 3.09Å
36S96.2Very high94.4Very high78 Ų7866.1 Ų66.155%0.54534%0.344SS..Hα-helixtrans-64-42.9-179.9-60.30000111.9S32 L33 V34 K40S32-S36 PolarHBondContact O-N 3.39Å; S32-S36 PolarHBondContact O-OG 2.82Å; S32-S36 VanDerWaalsContact O-OG 3.05Å; L33-S36 PolarHBondContact O-N 3.18Å; V34-S36 VanDerWaalsContact C-N 3.29Å; V34-S36 PolarHBondContact O-N 3.45Å; S36-K40 VanDerWaalsContact O-CB 3.28Å; S36-K40 WeakPolarHBondContact O-CB 3.3Å; S36-K40 PolarHBondContact O-N 3.21Å
37E95Very high94.3Very high42 Ų4261.7 Ų61.720%0.19633%0.33CS..Hα-helixtrans-69.8-44.7179.8-168.467.1-129.600111.5L33 V34 Y39 K40 S41 K69L33-E37 PolarHBondContact O-N 2.84Å; V34-E37 PolarHBondContact O-N 3.29Å; E37-Y39 PolarHBondContact O-N 3.08Å; E37-K40 WeakPolarHBondContact O-CB 3.4Å; E37-K40 PolarHBondContact O-N 3.41Å; E37-S41 WeakPolarHBondContact O-CB 3.4Å; E37-S41 PolarHBondContact O-N 3.31Å; E37-S41 PolarHBondContact O-OG 3.21Å; E37-S41 VanDerWaalsContact O-OG 3.08Å; E37-K69 IonicContact OE2-NZ 3.34Å
38V93.5Very high94.1Very high0 Ų066 Ų660%035%0.353CS..Hα-helixtrans-63.8-41.6177.2169.90000111V34 K40 S41 C42 L44 I46 I130 W131V34-V38 HydrophobicContact CG1-CG2 4Å; V34-V38 WeakPolarHBondContact O-CB 3.45Å; V34-V38 VanDerWaalsContact O-CG2 3.29Å; V34-V38 WeakPolarHBondContact O-CG2 3.08Å; V34-V38 PolarHBondContact O-N 3.05Å; V38-K40 VanDerWaalsContact C-N 3.31Å; V38-K40 PolarHBondContact O-N 3.4Å; V38-S41 PolarHBondContact O-N 2.98Å; V38-C42 HydrophobicContact CG1-CB 4.33Å; V38-C42 WeakPolarHBondContact O-CA 3.49Å; V38-C42 VanDerWaalsContact O-CB 3.23Å; V38-C42 WeakPolarHBondContact O-CB 3.44Å; V38-C42 PolarHBondContact O-N 3.47Å; V38-L44 HydrophobicContact CG1-CB 4.13Å; V38-I46 HydrophobicContact CB-CD1 4.14Å; V38-I46 HydrophobicContact CB-CG1 4.49Å; V38-I46 HydrophobicContact CG1-CD1 4.22Å; V38-I46 HydrophobicContact CG1-CG1 4.34Å; V38-I46 HydrophobicContact CG1-CG2 3.93Å; V38-I46 HydrophobicContact CG2-CD1 4.02Å; V38-I130 HydrophobicContact CB-CG2 4.43Å; V38-I130 HydrophobicContact CG1-CG2 3.71Å; V38-I130 HydrophobicContact CG2-CG2 3.76Å; V38-W131 HydrophobicContact CG2-CZ2 3.9Å
39Y93.4Very high93.9Very high153 Ų15362.8 Ų62.860%0.634%0.339SS*.Hα-helixtrans-61.5-42.8174.6-176.2-101.6000111.1E35 E37 G43 L44E35-Y39 VanDerWaalsContact O-CB 3.26Å; E35-Y39 WeakPolarHBondContact O-CB 3.33Å; E35-Y39 PolarHBondContact O-N 3.04Å; E37-Y39 PolarHBondContact O-N 3.08Å; Y39-G43 WeakPolarHBondContact O-CA 3.1Å; Y39-G43 PolarHBondContact O-N 3.02Å; Y39-L44 WeakPolarHBondContact CA-O 3.18Å
40K89.9Confident93.7Very high161 Ų16158.7 Ų58.770%0.732%0.319SS*.Hα-helixtrans-66.1-42.9177.9-179.3-172.1172-163.50113S36 E37 V38S36-K40 VanDerWaalsContact O-CB 3.28Å; S36-K40 WeakPolarHBondContact O-CB 3.3Å; S36-K40 PolarHBondContact O-N 3.21Å; E37-K40 WeakPolarHBondContact O-CB 3.4Å; E37-K40 PolarHBondContact O-N 3.41Å; V38-K40 VanDerWaalsContact C-N 3.31Å; V38-K40 PolarHBondContact O-N 3.4Å
41S86.9Confident93.4Very high37 Ų3763.5 Ų63.526%0.25933%0.334SS..Hα-helixtrans-85.2-34.8-174.465.20000113.5E37 V38 A75E37-S41 WeakPolarHBondContact O-CB 3.4Å; E37-S41 PolarHBondContact O-N 3.31Å; E37-S41 PolarHBondContact O-OG 3.21Å; E37-S41 VanDerWaalsContact O-OG 3.08Å; V38-S41 PolarHBondContact O-N 2.98Å; S41-A75 VanDerWaalsContact O-CB 3.28Å; S41-A75 WeakPolarHBondContact O-CB 3.36Å
42C87.3Confident93Very high38 Ų3863 Ų6326%0.25734%0.335SS..Hα-helixtrans-115.1-14.5-171.4-49.20000113.8V38 L44 A75V38-C42 HydrophobicContact CG1-CB 4.33Å; V38-C42 WeakPolarHBondContact O-CA 3.49Å; V38-C42 VanDerWaalsContact O-CB 3.23Å; V38-C42 WeakPolarHBondContact O-CB 3.44Å; V38-C42 PolarHBondContact O-N 3.47Å; C42-L44 HydrophobicContact CB-CB 4.03Å; C42-L44 PolarHBondContact O-N 2.87Å; C42-A75 HydrophobicContact CB-CB 3.77Å; C42-A75 WeakPolarHBondContact SG-CB 3.35Å
43G88.8Confident92.8Very high57 Ų5760.9 Ų60.959%0.58832%0.319SS*.  trans66.315.4-169.400000113.7Y39Y39-G43 WeakPolarHBondContact O-CA 3.1Å; Y39-G43 PolarHBondContact O-N 3.02Å
44L91.4Very high92.7Very high49 Ų4956.5 Ų56.526%0.25730%0.297SS..  trans-101.4126.3-175.1-175.867.5000110.2V38 Y39 C42 I46V38-L44 HydrophobicContact CG1-CB 4.13Å; Y39-L44 WeakPolarHBondContact CA-O 3.18Å; C42-L44 HydrophobicContact CB-CB 4.03Å; C42-L44 PolarHBondContact O-N 2.87Å; L44-I46 HydrophobicContact CD2-CG2 3.65Å; L44-I46 HydrophobicContact CG-CG2 3.77Å
45D94Very high92.6Very high96 Ų9659 Ų5951%0.51331%0.306SS..  trans-86.4119.1167.5178.27.5000109.5S47D45-S47 VanDerWaalsContact OD1-CB 3.23Å; D45-S47 WeakPolarHBondContact OD1-CB 3.22Å; D45-S47 PolarHBondContact OD1-N 3.12Å; D45-S47 PolarHBondContact OD1-OG 2.87Å; D45-S47 PolarHBondContact OD2-OG 3.28Å
46I94.8Very high92.6Very high2 Ų256.5 Ų56.51%0.0130%0.295CS..  trans-113.58.5-179.762.4164000112.7V34 E35 V38 L44 N48 D49 W50 I130V34-I46 HydrophobicContact CG1-CD1 3.99Å; E35-I46 HydrophobicContact CG-CG1 4.12Å; V38-I46 HydrophobicContact CB-CD1 4.14Å; V38-I46 HydrophobicContact CB-CG1 4.49Å; V38-I46 HydrophobicContact CG1-CD1 4.22Å; V38-I46 HydrophobicContact CG1-CG1 4.34Å; V38-I46 HydrophobicContact CG1-CG2 3.93Å; V38-I46 HydrophobicContact CG2-CD1 4.02Å; L44-I46 HydrophobicContact CD2-CG2 3.65Å; L44-I46 HydrophobicContact CG-CG2 3.77Å; I46-N48 PolarHBondContact O-N 3.45Å; I46-N48 VanDerWaalsContact O-N 3.16Å; I46-D49 HydrophobicContact CB-CB 4.26Å; I46-D49 WeakPolarHBondContact O-CB 3.41Å; I46-D49 PolarHBondContact O-N 3.26Å; I46-W50 HydrophobicContact CD1-CZ2 4.02Å; I46-I130 HydrophobicContact CD1-CD1 4.32Å; I46-I130 HydrophobicContact CG2-CG1 4.17Å
47S93.9Very high92.6Very high44 Ų4452.9 Ų52.931%0.30827%0.269SS..THydrogen-bonded Turntrans-55.9-35.4-17757.70000113.1D45D45-S47 VanDerWaalsContact OD1-CB 3.23Å; D45-S47 WeakPolarHBondContact OD1-CB 3.22Å; D45-S47 PolarHBondContact OD1-N 3.12Å; D45-S47 PolarHBondContact OD1-OG 2.87Å; D45-S47 PolarHBondContact OD2-OG 3.28Å
48N91.7Very high92.7Very high99 Ų9951 Ų5153%0.52926%0.261SS..THydrogen-bonded Turntrans-79.3-23176.2-70.4-57.2000113.3I46 W50 R51I46-N48 PolarHBondContact O-N 3.45Å; I46-N48 VanDerWaalsContact O-N 3.16Å; N48-W50 PolarHBondContact O-N 3.45Å; N48-R51 PolarHBondContact O-N 3.26Å
49D91.6Very high92.9Very high31 Ų3151.5 Ų51.517%0.16626%0.264CS..G310 helixtrans-65.9-29.6-175.8-72.30.3000110.5I46 R51 S52 V53 R129I46-D49 HydrophobicContact CB-CB 4.26Å; I46-D49 WeakPolarHBondContact O-CB 3.41Å; I46-D49 PolarHBondContact O-N 3.26Å; D49-R51 PolarHBondContact O-N 3.5Å; D49-S52 WeakPolarHBondContact O-CA 3.41Å; D49-S52 WeakPolarHBondContact O-CB 3.44Å; D49-S52 PolarHBondContact O-N 2.98Å; D49-S52 PolarHBondContact O-OG 3.04Å; D49-V53 WeakPolarHBondContact O-CG1 3.45Å; D49-V53 PolarHBondContact O-N 2.67Å; D49-R129 IonicContact OD1-NH2 2.93Å; D49-R129 IonicContact OD2-CZ 3.16Å; D49-R129 IonicContact OD2-NE 3.02Å; D49-R129 PolarHBondContact OD2-NE 2.8Å; D49-R129 IonicContact OD2-NH2 3.06Å; D49-R129 PolarHBondContact OD2-NH2 3.06Å; D49-R129 VanDerWaalsContact OD2-NH2 3.12Å
50W94.6Very high93.1Very high32 Ų3244.2 Ų44.212%0.12124%0.235CC..G310 helixtrans-56.3-24.4177.3-60.1122.9000114.5K31 V34 E35 I46 N48 S52 V53 A58 I61K31-W50 HydrophobicContact CB-CD2 4.39Å; K31-W50 HydrophobicContact CB-CH2 4.3Å; K31-W50 HydrophobicContact CB-CZ2 3.78Å; K31-W50 HydrophobicContact CD-CD2 3.89Å; K31-W50 HydrophobicContact CD-CE3 4.03Å; K31-W50 HydrophobicContact CD-CG 4.23Å; K31-W50 HydrophobicContact CD-CZ3 4.45Å; K31-W50 HydrophobicContact CG-CD2 4.1Å; K31-W50 HydrophobicContact CG-CE3 4.11Å; K31-W50 HydrophobicContact CG-CH2 3.95Å; K31-W50 HydrophobicContact CG-CZ2 3.91Å; K31-W50 HydrophobicContact CG-CZ3 4.05Å; V34-W50 HydrophobicContact CB-CH2 4.41Å; V34-W50 HydrophobicContact CB-CZ2 4.23Å; V34-W50 HydrophobicContact CG1-CH2 4.11Å; V34-W50 HydrophobicContact CG1-CZ2 4.11Å; E35-W50 HydrophobicContact CG-CZ2 4.44Å; E35-W50 PolarHBondContact OE1-NE1 3.09Å; I46-W50 HydrophobicContact CD1-CZ2 4.02Å; N48-W50 PolarHBondContact O-N 3.45Å; W50-S52 VanDerWaalsContact C-N 3.29Å; W50-V53 HydrophobicContact CE3-CG2 3.87Å; W50-A58 HydrophobicContact CE3-CB 4.12Å; W50-A58 HydrophobicContact CZ3-CB 3.91Å; W50-I61 HydrophobicContact CH2-CB 4.27Å; W50-I61 HydrophobicContact CH2-CG2 3.81Å; W50-I61 HydrophobicContact CZ3-CB 4.25Å; W50-I61 HydrophobicContact CZ3-CD1 3.9Å; W50-I61 HydrophobicContact CZ3-CG2 4.21Å
51R90.2Very high93.5Very high168 Ų16836.7 Ų36.763%0.63420%0.202SC*.G310 helixtrans-71.8-26.7174.4-61.6-179-176.8-176.43112.2N48 D49 H113 R117N48-R51 PolarHBondContact O-N 3.26Å; D49-R51 PolarHBondContact O-N 3.5Å; R51-H113 PolarHBondContact O-CD2 3.01Å; R51-R117 PolarHBondContact O-NE 2.98Å; R51-R117 VanDerWaalsContact O-NE 3.16Å; R51-R117 PolarHBondContact O-NH2 3.45Å
52S90.3Very high94.1Very high23 Ų2335.5 Ų35.516%0.16119%0.193CC..THydrogen-bonded Turntrans-88.9-19.6-17774.80000114D49 W50 H113 T116 R117D49-S52 WeakPolarHBondContact O-CA 3.41Å; D49-S52 WeakPolarHBondContact O-CB 3.44Å; D49-S52 PolarHBondContact O-N 2.98Å; D49-S52 PolarHBondContact O-OG 3.04Å; W50-S52 VanDerWaalsContact C-N 3.29Å; S52-H113 WeakPolarHBondContact CB-ND1 3.45Å; S52-T116 PolarHBondContact O-OG1 3.13Å; S52-R117 WeakPolarHBondContact O-CG 3.21Å
53V93.8Very high94.6Very high9 Ų934.2 Ų34.26%0.05519%0.185CC..SBendtrans-96.4149.3-175.3-44.90000111.4D49 W50 A58 I61 I126D49-V53 WeakPolarHBondContact O-CG1 3.45Å; D49-V53 PolarHBondContact O-N 2.67Å; W50-V53 HydrophobicContact CE3-CG2 3.87Å; V53-A58 HydrophobicContact CG2-CB 4.09Å; V53-I61 HydrophobicContact CG1-CD1 4.09Å; V53-I61 HydrophobicContact CG2-CD1 4.48Å; V53-I126 HydrophobicContact CB-CD1 4.04Å; V53-I126 HydrophobicContact CG1-CD1 3.44Å; V53-I126 VanDerWaalsContact CG1-CD1 3.44Å; V53-I126 HydrophobicContact CG1-CG1 4.27Å; V53-I126 HydrophobicContact CG1-CG2 4.29Å
54S94.5Very high95.1Very high11 Ų1131.5 Ų31.58%0.07716%0.157CC..  trans-76.8170170.660.20000111.6S57 A58 D90S54-S57 PolarHBondContact O-N 2.87Å; S54-S57 VanDerWaalsContact OG-CB 3.25Å; S54-S57 WeakPolarHBondContact OG-CB 3.17Å; S54-S57 PolarHBondContact OG-N 3.16Å; S54-S57 PolarHBondContact OG-OG 2.8Å; S54-A58 PolarHBondContact O-N 2.99Å; S54-D90 WeakPolarHBondContact CB-OD2 3.18Å; S54-D90 PolarHBondContact OG-OD2 3.41Å
55R95.1Very high95.4Very high57 Ų5729.6 Ų29.622%0.21515%0.148CC..Hα-helixtrans-62.2-43.8176-178.6173169.2103.2-5.4111.9I22 D24 L27 S57 A58 L59 S173 E215I22-R55 PolarHBondContact O-NH2 3.45Å; D24-R55 IonicContact OD1-CZ 3.69Å; D24-R55 IonicContact OD1-NH1 3.79Å; D24-R55 PolarHBondContact OD1-NH1 3.39Å; D24-R55 IonicContact OD1-NH2 2.78Å; L27-R55 HydrophobicContact CD2-CG 4.32Å; R55-S57 PolarHBondContact O-N 3.45Å; R55-A58 WeakPolarHBondContact O-CB 3.5Å; R55-A58 PolarHBondContact O-N 2.85Å; R55-L59 PolarHBondContact O-N 2.82Å; R55-L59 VanDerWaalsContact O-N 3.13Å; R55-S173 WeakPolarHBondContact CD-OG 3.12Å; R55-S173 VanDerWaalsContact CG-OG 3.31Å; R55-S173 WeakPolarHBondContact CG-OG 3.47Å; R55-S173 PolarHBondContact NE-OG 3.26Å; R55-E215 IonicContact CZ-OE1 2.8Å; R55-E215 IonicContact CZ-OE2 3.68Å; R55-E215 IonicContact NE-OE1 3.96Å; R55-E215 IonicContact NE-OE2 3.12Å; R55-E215 PolarHBondContact NE-OE2 2.97Å; R55-E215 VanDerWaalsContact NH2-CD 3.28Å; R55-E215 IonicContact NH2-OE1 3.51Å; R55-E215 PolarHBondContact NH2-OE1 3.39Å; R55-E215 IonicContact NH2-OE2 3.3Å; R55-E215 PolarHBondContact NH2-OE2 3.39Å; R55-E215 VanDerWaalsContact NH2-OE2 3.1Å
56A96.5Very high95.6Very high0 Ų030.5 Ų30.50%015%0.149CC..Hα-helixtrans-61.9-46.1176.900000110.8A58 L59 G60 V87 D90 C171A56-A58 VanDerWaalsContact C-N 3.27Å; A56-A58 PolarHBondContact O-N 3.07Å; A56-L59 WeakPolarHBondContact O-CB 3.36Å; A56-L59 PolarHBondContact O-N 2.95Å; A56-L59 VanDerWaalsContact O-N 3.09Å; A56-G60 PolarHBondContact O-N 3.38Å; A56-V87 HydrophobicContact CB-CG2 4.03Å; A56-D90 HydrophobicContact CB-CB 4.05Å; A56-D90 VanDerWaalsContact CB-CG 3.43Å; A56-D90 WeakPolarHBondContact CB-OD1 3.22Å; A56-D90 WeakPolarHBondContact CB-OD2 3.46Å; A56-C171 VanDerWaalsContact C-SG 3.54Å; A56-C171 HydrophobicContact CB-CB 4.41Å; A56-C171 WeakPolarHBondContact O-CB 3.48Å; A56-C171 PolarHBondContact O-SG 3.33Å
57S96.8Very high95.7Very high1 Ų130.8 Ų30.81%0.00715%0.151CC..Hα-helixtrans-58.4-39.7176.8-61.30000112S54 R55 L59 G60 I61S54-S57 PolarHBondContact O-N 2.87Å; S54-S57 VanDerWaalsContact OG-CB 3.25Å; S54-S57 WeakPolarHBondContact OG-CB 3.17Å; S54-S57 PolarHBondContact OG-N 3.16Å; S54-S57 PolarHBondContact OG-OG 2.8Å; R55-S57 PolarHBondContact O-N 3.45Å; S57-L59 PolarHBondContact O-N 3.25Å; S57-G60 PolarHBondContact O-N 2.76Å; S57-G60 VanDerWaalsContact O-N 3.15Å; S57-I61 VanDerWaalsContact O-CG1 3.28Å; S57-I61 WeakPolarHBondContact O-CG1 3.22Å; S57-I61 PolarHBondContact O-N 2.77Å
58A97.1Very high95.8Very high3 Ų329 Ų293%0.02514%0.138CC..Hα-helixtrans-61-42.9175.900000112.4W50 V53 S54 R55 A56 G60 I61 I62W50-A58 HydrophobicContact CE3-CB 4.12Å; W50-A58 HydrophobicContact CZ3-CB 3.91Å; V53-A58 HydrophobicContact CG2-CB 4.09Å; S54-A58 PolarHBondContact O-N 2.99Å; R55-A58 WeakPolarHBondContact O-CB 3.5Å; R55-A58 PolarHBondContact O-N 2.85Å; A56-A58 VanDerWaalsContact C-N 3.27Å; A56-A58 PolarHBondContact O-N 3.07Å; A58-G60 VanDerWaalsContact C-N 3.32Å; A58-G60 PolarHBondContact O-N 2.77Å; A58-I61 PolarHBondContact O-N 3.03Å; A58-I62 WeakPolarHBondContact O-CD1 3.47Å; A58-I62 WeakPolarHBondContact O-CG1 3.34Å; A58-I62 PolarHBondContact O-N 2.93Å
59L98.2Very high95.9Very high11 Ų1130.6 Ų30.66%0.05814%0.14CC..Hα-helixtrans-61-41.7173.1-64.3172.6000111.7I22 L27 R55 A56 S57 I61 I62 A63 A217I22-L59 HydrophobicContact CD1-CD1 3.91Å; I22-L59 HydrophobicContact CD1-CD2 3.46Å; I22-L59 VanDerWaalsContact CD1-CD2 3.46Å; I22-L59 HydrophobicContact CD1-CG 4.34Å; L27-L59 HydrophobicContact CD1-CD2 3.62Å; R55-L59 PolarHBondContact O-N 2.82Å; R55-L59 VanDerWaalsContact O-N 3.13Å; A56-L59 WeakPolarHBondContact O-CB 3.36Å; A56-L59 PolarHBondContact O-N 2.95Å; A56-L59 VanDerWaalsContact O-N 3.09Å; S57-L59 PolarHBondContact O-N 3.25Å; L59-I61 PolarHBondContact O-N 3.25Å; L59-I62 PolarHBondContact O-N 2.91Å; L59-A63 PolarHBondContact O-N 3.21Å; L59-A217 VanDerWaalsContact C-CB 3.47Å; L59-A217 HydrophobicContact CB-CB 3.71Å; L59-A217 WeakPolarHBondContact O-CB 3.32Å
60G98.5Very high96.1Very high0 Ų034.9 Ų34.90%016%0.159CC..Hα-helixtrans-61.4-41.4176.100000113.2A56 S57 A58 T64A56-G60 PolarHBondContact O-N 3.38Å; S57-G60 PolarHBondContact O-N 2.76Å; S57-G60 VanDerWaalsContact O-N 3.15Å; A58-G60 VanDerWaalsContact C-N 3.32Å; A58-G60 PolarHBondContact O-N 2.77Å; G60-T64 WeakPolarHBondContact O-CB 3.45Å; G60-T64 PolarHBondContact O-N 3.02Å; G60-T64 PolarHBondContact O-OG1 3.05Å
61I98.1Very high96Very high2 Ų234.3 Ų34.31%0.0116%0.159CC..Hα-helixtrans-65-43.9176.2-64160.6000110.4V34 W50 V53 S57 A58 L59 T64 C65 I126 I130 W131V34-I61 HydrophobicContact CG1-CG2 3.96Å; W50-I61 HydrophobicContact CH2-CB 4.27Å; W50-I61 HydrophobicContact CH2-CG2 3.81Å; W50-I61 HydrophobicContact CZ3-CB 4.25Å; W50-I61 HydrophobicContact CZ3-CD1 3.9Å; W50-I61 HydrophobicContact CZ3-CG2 4.21Å; V53-I61 HydrophobicContact CG1-CD1 4.09Å; V53-I61 HydrophobicContact CG2-CD1 4.48Å; S57-I61 VanDerWaalsContact O-CG1 3.28Å; S57-I61 WeakPolarHBondContact O-CG1 3.22Å; S57-I61 PolarHBondContact O-N 2.77Å; A58-I61 PolarHBondContact O-N 3.03Å; L59-I61 PolarHBondContact O-N 3.25Å; I61-T64 PolarHBondContact O-N 3.06Å; I61-C65 WeakPolarHBondContact O-CB 3.34Å; I61-C65 PolarHBondContact O-N 3.41Å; I61-I126 HydrophobicContact CD1-CB 4.49Å; I61-I126 HydrophobicContact CD1-CG2 3.51Å; I61-I126 HydrophobicContact CG1-CG2 4Å; I61-I130 HydrophobicContact CD1-CD1 4.15Å; I61-I130 HydrophobicContact CG1-CD1 4.18Å; I61-I130 HydrophobicContact CG2-CD1 3.8Å; I61-W131 HydrophobicContact CG2-CH2 3.98Å; I61-W131 HydrophobicContact CG2-CZ3 4.36Å; I61-W131 WeakPolarHBondContact O-CH2 3.3Å
62I98.6Very high96.1Very high13 Ų1330.5 Ų30.57%0.06715%0.148CC..Hα-helixtrans-60.5-51.8177.5-68.8159.5000110.8L27 Q30 K31 V34 A58 L59 T64 C65 E66L27-I62 HydrophobicContact CD1-CD1 3.35Å; Q30-I62 HydrophobicContact CB-CD1 3.85Å; Q30-I62 HydrophobicContact CB-CG1 4.21Å; Q30-I62 HydrophobicContact CB-CG2 4.04Å; Q30-I62 HydrophobicContact CG-CG2 4.44Å; K31-I62 HydrophobicContact CG-CD1 4.26Å; V34-I62 HydrophobicContact CG2-CB 4.26Å; V34-I62 HydrophobicContact CG2-CG1 3.78Å; V34-I62 HydrophobicContact CG2-CG2 4.49Å; A58-I62 WeakPolarHBondContact O-CD1 3.47Å; A58-I62 WeakPolarHBondContact O-CG1 3.34Å; A58-I62 PolarHBondContact O-N 2.93Å; L59-I62 PolarHBondContact O-N 2.91Å; I62-T64 VanDerWaalsContact C-N 3.25Å; I62-T64 PolarHBondContact O-N 3.41Å; I62-C65 WeakPolarHBondContact O-CB 3.37Å; I62-C65 PolarHBondContact O-N 2.93Å; I62-C65 VanDerWaalsContact O-N 3.09Å; I62-E66 PolarHBondContact O-N 2.84Å
63A98.8Very high96.2Very high10 Ų1029.9 Ų29.98%0.08314%0.142CC..Hα-helixtrans-59-38.2178.200000112.1L59 E66 A67 A217 A219L59-A63 PolarHBondContact O-N 3.21Å; A63-E66 PolarHBondContact O-N 2.88Å; A63-A67 PolarHBondContact O-N 3.49Å; A63-A217 HydrophobicContact CB-CB 3.98Å; A63-A219 HydrophobicContact CB-CB 4.16Å
64T98.6Very high95.7Very high0 Ų034 Ų340%016%0.159CC..Hα-helixtrans-67.7-39.2176.6-58.30000112.2G60 I61 I62 E66 A67 F68 I127 W131 V167G60-T64 WeakPolarHBondContact O-CB 3.45Å; G60-T64 PolarHBondContact O-N 3.02Å; G60-T64 PolarHBondContact O-OG1 3.05Å; I61-T64 PolarHBondContact O-N 3.06Å; I62-T64 VanDerWaalsContact C-N 3.25Å; I62-T64 PolarHBondContact O-N 3.41Å; T64-E66 VanDerWaalsContact C-N 3.34Å; T64-A67 PolarHBondContact O-N 2.95Å; T64-F68 HydrophobicContact CG2-CD2 3.62Å; T64-F68 HydrophobicContact CG2-CE2 3.66Å; T64-F68 WeakPolarHBondContact O-CB 3.26Å; T64-F68 PolarHBondContact O-N 2.79Å; T64-I127 HydrophobicContact CG2-CG1 4.36Å; T64-I127 HydrophobicContact CG2-CG2 3.82Å; T64-I127 VanDerWaalsContact OG1-CD1 3.28Å; T64-I127 WeakPolarHBondContact OG1-CD1 3.45Å; T64-W131 HydrophobicContact CG2-CD2 4.39Å; T64-W131 HydrophobicContact CG2-CE3 3.76Å; T64-W131 HydrophobicContact CG2-CH2 3.8Å; T64-W131 HydrophobicContact CG2-CZ2 4.41Å; T64-W131 HydrophobicContact CG2-CZ3 3.44Å; T64-W131 VanDerWaalsContact CG2-CZ3 3.44Å; T64-V167 HydrophobicContact CG2-CG1 3.81Å
65C97.7Very high94.6Very high9 Ų935.1 Ų35.16%0.06117%0.169CC..Hα-helixtrans-62-43.1175.1-172.10000111.3V34 I61 I62 F68 K69 W131V34-C65 HydrophobicContact CB-CB 4.44Å; V34-C65 HydrophobicContact CG1-CB 4.02Å; V34-C65 HydrophobicContact CG2-CB 3.77Å; I61-C65 WeakPolarHBondContact O-CB 3.34Å; I61-C65 PolarHBondContact O-N 3.41Å; I62-C65 WeakPolarHBondContact O-CB 3.37Å; I62-C65 PolarHBondContact O-N 2.93Å; I62-C65 VanDerWaalsContact O-N 3.09Å; C65-F68 PolarHBondContact O-N 3.32Å; C65-K69 VanDerWaalsContact O-CB 3.27Å; C65-K69 WeakPolarHBondContact O-CB 3.48Å; C65-K69 PolarHBondContact O-N 2.83Å; C65-W131 HydrophobicContact CB-CH2 4.04Å; C65-W131 HydrophobicContact CB-CZ2 3.76Å
66E97.8Very high93.4Very high115 Ų11534.4 Ų34.454%0.53717%0.17SC..Hα-helixtrans-59.6-47.3174.6-69.2-179.1167.100111.6I62 A63 T64 F68 K69 Q70I62-E66 PolarHBondContact O-N 2.84Å; A63-E66 PolarHBondContact O-N 2.88Å; T64-E66 VanDerWaalsContact C-N 3.34Å; E66-F68 PolarHBondContact O-N 3.34Å; E66-K69 PolarHBondContact O-N 3.32Å; E66-Q70 WeakPolarHBondContact O-CB 3.09Å; E66-Q70 PolarHBondContact O-N 2.79Å
67A97.8Very high91.7Very high8 Ų837.6 Ų37.67%0.06619%0.192CC..Hα-helixtrans-62.2-43177.600000112A63 T64 Q70 V71 A219 V221A63-A67 PolarHBondContact O-N 3.49Å; T64-A67 PolarHBondContact O-N 2.95Å; A67-Q70 WeakPolarHBondContact O-CB 3.25Å; A67-Q70 PolarHBondContact O-N 2.88Å; A67-V71 PolarHBondContact O-N 2.96Å; A67-A219 HydrophobicContact CB-CB 4.06Å; A67-V221 HydrophobicContact CB-CG2 4.06Å
68F95.4Very high90.9Very high6 Ų637.5 Ų37.53%0.02619%0.191CC..Hα-helixtrans-69.4-35.5178.5-84.1-39.4000114.1T64 C65 E66 Q70 V71 K72 W73 W131 L133 L165 V167 V221T64-F68 HydrophobicContact CG2-CD2 3.62Å; T64-F68 HydrophobicContact CG2-CE2 3.66Å; T64-F68 WeakPolarHBondContact O-CB 3.26Å; T64-F68 PolarHBondContact O-N 2.79Å; C65-F68 PolarHBondContact O-N 3.32Å; E66-F68 PolarHBondContact O-N 3.34Å; F68-Q70 VanDerWaalsContact C-N 3.3Å; F68-V71 HydrophobicContact CD1-CG2 3.98Å; F68-V71 WeakPolarHBondContact O-CG2 3.4Å; F68-V71 PolarHBondContact O-N 3Å; F68-K72 PolarHBondContact O-N 2.92Å; F68-W73 HydrophobicContact CB-CB 4.04Å; F68-W73 HydrophobicContact CD1-CB 3.51Å; F68-W73 HydrophobicContact CD1-CD2 4.25Å; F68-W73 AromaticContact CD1-CG 3.69Å; F68-W73 HydrophobicContact CD1-CG 3.69Å; F68-W73 HydrophobicContact CE1-CB 4.17Å; F68-W73 AromaticContact CE1-CD2 3.99Å; F68-W73 HydrophobicContact CE1-CD2 3.99Å; F68-W73 HydrophobicContact CE1-CE3 4.42Å; F68-W73 AromaticContact CE1-CG 3.86Å; F68-W73 HydrophobicContact CE1-CG 3.86Å; F68-W73 HydrophobicContact CG-CB 3.99Å; F68-W73 HydrophobicContact CG-CG 4.23Å; F68-W73 PolarHBondContact O-N 3Å; F68-W131 HydrophobicContact CD2-CB 4.24Å; F68-W131 AromaticContact CD2-CD1 3.53Å; F68-W131 AromaticContact CD2-CD2 3.4Å; F68-W131 HydrophobicContact CD2-CD2 3.4Å; F68-W131 VanDerWaalsContact CD2-CD2 3.4Å; F68-W131 AromaticContact CD2-CE2 3.47Å; F68-W131 VanDerWaalsContact CD2-CE2 3.47Å; F68-W131 HydrophobicContact CD2-CE3 4.03Å; F68-W131 AromaticContact CD2-CG 3.47Å; F68-W131 HydrophobicContact CD2-CG 3.47Å; F68-W131 VanDerWaalsContact CD2-CG 3.47Å; F68-W131 HydrophobicContact CD2-CZ2 4.14Å; F68-W131 AromaticContact CD2-NE1 3.52Å; F68-W131 HydrophobicContact CE2-CB 3.58Å; F68-W131 AromaticContact CE2-CD1 3.79Å; F68-W131 AromaticContact CE2-CD2 3.43Å; F68-W131 HydrophobicContact CE2-CD2 3.43Å; F68-W131 VanDerWaalsContact CE2-CD2 3.43Å; F68-W131 AromaticContact CE2-CE3 3.84Å; F68-W131 HydrophobicContact CE2-CE3 3.84Å; F68-W131 AromaticContact CE2-CG 3.29Å; F68-W131 HydrophobicContact CE2-CG 3.29Å; F68-W131 HydrophobicContact CZ-CB 4.2Å; F68-W131 HydrophobicContact CZ-CG 4.29Å; F68-L133 HydrophobicContact CE2-CD1 4.07Å; F68-L133 HydrophobicContact CZ-CD1 3.79Å; F68-L133 HydrophobicContact CZ-CD2 3.93Å; F68-L133 HydrophobicContact CZ-CG 4.42Å; F68-L165 HydrophobicContact CE1-CD2 4.43Å; F68-V167 HydrophobicContact CE1-CG2 3.64Å; F68-V167 HydrophobicContact CE2-CG2 3.76Å; F68-V167 HydrophobicContact CZ-CG2 3.1Å; F68-V221 HydrophobicContact CD1-CG2 3.95Å; F68-V221 HydrophobicContact CE1-CG2 4.03Å
69K94.3Very high90.5Very high133 Ų13345.3 Ų45.358%0.57822%0.221SC*.Hα-helixtrans-62.9-40.6170.9-176.2174.3-178.5169.30111E37 C65 E66 K72E37-K69 IonicContact OE2-NZ 3.34Å; C65-K69 VanDerWaalsContact O-CB 3.27Å; C65-K69 WeakPolarHBondContact O-CB 3.48Å; C65-K69 PolarHBondContact O-N 2.83Å; E66-K69 PolarHBondContact O-N 3.32Å; K69-K72 PolarHBondContact O-N 2.84Å
70Q95.1Very high90.3Very high121 Ų12148.1 Ų48.157%0.56523%0.231SC*.Hα-helixtrans-63.6-44178-174.5174.216.200112.4E66 A67 F68 K72E66-Q70 WeakPolarHBondContact O-CB 3.09Å; E66-Q70 PolarHBondContact O-N 2.79Å; A67-Q70 WeakPolarHBondContact O-CB 3.25Å; A67-Q70 PolarHBondContact O-N 2.88Å; F68-Q70 VanDerWaalsContact C-N 3.3Å; Q70-K72 PolarHBondContact O-N 3.26Å
71V93.3Very high90.1Very high20 Ų2048.1 Ų48.112%0.12123%0.231CC..THydrogen-bonded Turntrans-81.3-1.7176.5-56.90000113.6A67 F68 W73 V221 F236 P240A67-V71 PolarHBondContact O-N 2.96Å; F68-V71 HydrophobicContact CD1-CG2 3.98Å; F68-V71 WeakPolarHBondContact O-CG2 3.4Å; F68-V71 PolarHBondContact O-N 3Å; V71-W73 VanDerWaalsContact C-N 3.3Å; V71-W73 HydrophobicContact CG2-CB 4.11Å; V71-W73 PolarHBondContact O-N 3.16Å; V71-V221 HydrophobicContact CG1-CB 4.03Å; V71-V221 HydrophobicContact CG1-CG1 4.23Å; V71-V221 HydrophobicContact CG1-CG2 4.31Å; V71-V221 HydrophobicContact CG2-CG1 4.37Å; V71-V221 HydrophobicContact CG2-CG2 4.21Å; V71-F236 HydrophobicContact CB-CD1 4.34Å; V71-F236 HydrophobicContact CB-CE1 3.95Å; V71-F236 HydrophobicContact CG2-CD1 4.33Å; V71-F236 HydrophobicContact CG2-CE1 3.85Å; V71-F236 WeakPolarHBondContact O-CD1 3.45Å; V71-P240 HydrophobicContact CB-CB 4.12Å; V71-P240 HydrophobicContact CB-CG 4.04Å; V71-P240 HydrophobicContact CG1-CB 4.38Å; V71-P240 HydrophobicContact CG1-CG 4.43Å
72K92.4Very high90.1Very high89 Ų8948 Ų4839%0.38723%0.23SC..THydrogen-bonded Turntrans54.444.9-177.6-49.4177-175.1-179.80112.4F68 K69 Q70 K74 I237 E238F68-K72 PolarHBondContact O-N 2.92Å; K69-K72 PolarHBondContact O-N 2.84Å; Q70-K72 PolarHBondContact O-N 3.26Å; K72-K74 PolarHBondContact O-N 2.92Å; K72-I237 HydrophobicContact CB-CB 3.97Å; K72-I237 HydrophobicContact CB-CD1 4.33Å; K72-I237 HydrophobicContact CB-CG1 4.32Å; K72-I237 PolarHBondContact O-N 3.2Å; K72-E238 HydrophobicContact CD-CB 4.25Å; K72-E238 IonicContact NZ-OE2 2.65Å; K72-E238 PolarHBondContact NZ-OE2 3.35Å
73W91.4Very high90.1Very high10 Ų1047.4 Ų47.44%0.03823%0.227CC..BIsolated β-bridgetrans-59.3126178.3-179.2-107.1000110.8F68 V71 N76 A81 W131 L133 L165 F236F68-W73 HydrophobicContact CB-CB 4.04Å; F68-W73 HydrophobicContact CD1-CB 3.51Å; F68-W73 HydrophobicContact CD1-CD2 4.25Å; F68-W73 AromaticContact CD1-CG 3.69Å; F68-W73 HydrophobicContact CD1-CG 3.69Å; F68-W73 HydrophobicContact CE1-CB 4.17Å; F68-W73 AromaticContact CE1-CD2 3.99Å; F68-W73 HydrophobicContact CE1-CD2 3.99Å; F68-W73 HydrophobicContact CE1-CE3 4.42Å; F68-W73 AromaticContact CE1-CG 3.86Å; F68-W73 HydrophobicContact CE1-CG 3.86Å; F68-W73 HydrophobicContact CG-CB 3.99Å; F68-W73 HydrophobicContact CG-CG 4.23Å; F68-W73 PolarHBondContact O-N 3Å; V71-W73 VanDerWaalsContact C-N 3.3Å; V71-W73 HydrophobicContact CG2-CB 4.11Å; V71-W73 PolarHBondContact O-N 3.16Å; W73-N76 WeakPolarHBondContact CZ2-OD1 3.26Å; W73-A81 HydrophobicContact CH2-CB 4Å; W73-A81 HydrophobicContact CZ2-CB 4.39Å; W73-W131 AromaticContact CD1-CD1 3.98Å; W73-L133 HydrophobicContact CZ2-CD2 3.88Å; W73-L165 HydrophobicContact CE3-CD1 4.11Å; W73-L165 HydrophobicContact CZ3-CD1 3.72Å; W73-L165 HydrophobicContact CZ3-CD2 4.37Å; W73-F236 HydrophobicContact CE3-CD1 4.06Å; W73-F236 AromaticContact CE3-CE1 3.67Å; W73-F236 HydrophobicContact CE3-CE1 3.67Å; W73-F236 HydrophobicContact CE3-CZ 4.27Å; W73-F236 HydrophobicContact CZ3-CE1 4.23Å; W73-F236 HydrophobicContact CZ3-CZ 4.38Å
74K84.7Confident90.1Very high94 Ų9446.9 Ų46.941%0.40922%0.223SC..  trans-87.7120.2163.6-68.4172.2170.11410106.3K72 N76 S235 F236 I237K72-K74 PolarHBondContact O-N 2.92Å; K74-N76 PolarHBondContact O-N 3.35Å; K74-S235 WeakPolarHBondContact CB-O 3.24Å; K74-S235 PolarHBondContact N-O 2.69Å; K74-F236 WeakPolarHBondContact CD-O 3.43Å; K74-F236 WeakPolarHBondContact CE-O 3.3Å; K74-F236 PolarHBondContact NZ-O 3.38Å; K74-I237 HydrophobicContact CD-CG1 4.31Å; K74-I237 VanDerWaalsContact CE-CA 3.45Å; K74-I237 HydrophobicContact CG-CG1 3.59Å
75A71Confident90.1Very high36 Ų3646.9 Ų46.930%0.29822%0.223SC..  trans-60.2105176.900000110.2S41 C42S41-A75 VanDerWaalsContact O-CB 3.28Å; S41-A75 WeakPolarHBondContact O-CB 3.36Å; C42-A75 HydrophobicContact CB-CB 3.77Å; C42-A75 WeakPolarHBondContact SG-CB 3.35Å
76N69.3Low90.1Very high42 Ų4246.5 Ų46.523%0.22522%0.22CC..  trans-126.8148.3170.567.911.6000109.1W73 K74 G78 F231 S235W73-N76 WeakPolarHBondContact CZ2-OD1 3.26Å; K74-N76 PolarHBondContact O-N 3.35Å; N76-G78 VanDerWaalsContact C-N 3.31Å; N76-G78 PolarHBondContact O-N 2.8Å; N76-F231 WeakPolarHBondContact ND2-CE2 3.48Å; N76-S235 VanDerWaalsContact ND2-CA 3.3Å; N76-S235 WeakPolarHBondContact ND2-CA 3.49Å; N76-S235 WeakPolarHBondContact ND2-CB 3.23Å; N76-S235 PolarHBondContact ND2-OG 2.86Å; N76-S235 PolarHBondContact OD1-OG 3.18Å
77S62Low90.1Very high66 Ų6641.2 Ų41.246%0.46220%0.196SC..  trans-74.889.1177.961.90000109.4G132S77-G132 WeakPolarHBondContact CA-O 3.29Å
78G78.9Confident89.8Confident0 Ų042 Ų420%020%0.204CC..BIsolated β-bridgetrans-91.6110.1-179.200000112.5N76 R80 A81 G132 R134N76-G78 VanDerWaalsContact C-N 3.31Å; N76-G78 PolarHBondContact O-N 2.8Å; G78-R80 PolarHBondContact O-N 3.44Å; G78-A81 PolarHBondContact O-N 3.4Å; G78-G132 PolarHBondContact N-O 3.3Å; G78-R134 PolarHBondContact O-N 2.65Å
79Y89.7Confident89.6Confident167 Ų16744.5 Ų44.566%0.65522%0.218SC*.THydrogen-bonded Turntrans-66.8-12170.2-71.8-82.6000113.1R134 G135Y79-R134 HydrophobicContact CD1-CB 3.98Å; Y79-R134 HydrophobicContact CE1-CB 4.33Å; Y79-R134 HydrophobicContact CG-CB 4.43Å; Y79-G135 VanDerWaalsContact O-CA 3.29Å; Y79-G135 WeakPolarHBondContact O-CA 3.41Å
80R93.5Very high89.1Confident69 Ų6938.8 Ų38.826%0.2619%0.194SC..THydrogen-bonded Turntrans-110.39.9175.9-62.2-169.256.680.44.9113.6G78 N161 A163 D164 L165 F231G78-R80 PolarHBondContact O-N 3.44Å; R80-N161 PolarHBondContact NH1-O 3.2Å; R80-N161 VanDerWaalsContact NH1-O 3.07Å; R80-N161 PolarHBondContact NH2-O 3.29Å; R80-N161 VanDerWaalsContact NH2-O 3.13Å; R80-N161 PolarHBondContact NH2-OD1 2.83Å; R80-A163 CarbonylContact O-C 3.52Å; R80-A163 WeakPolarHBondContact O-CA 3.36Å; R80-A163 WeakPolarHBondContact O-CB 3.28Å; R80-D164 VanDerWaalsContact CB-OD2 3.23Å; R80-D164 WeakPolarHBondContact CB-OD2 3.43Å; R80-D164 VanDerWaalsContact CD-OD2 3.24Å; R80-D164 WeakPolarHBondContact CD-OD2 3.39Å; R80-D164 IonicContact CZ-OD1 3.5Å; R80-D164 IonicContact CZ-OD2 3.94Å; R80-D164 IonicContact NE-OD1 2.7Å; R80-D164 PolarHBondContact NE-OD1 3.25Å; R80-D164 VanDerWaalsContact NE-OD1 3.16Å; R80-D164 IonicContact NE-OD2 3.24Å; R80-D164 PolarHBondContact NE-OD2 3.01Å; R80-D164 IonicContact NH2-OD1 3.58Å; R80-D164 PolarHBondContact NH2-OD1 3.4Å; R80-D164 IonicContact NH2-OD2 3.54Å; R80-D164 PolarHBondContact O-N 2.81Å; R80-L165 PolarHBondContact O-N 2.61Å; R80-F231 HydrophobicContact CB-CE1 4.5Å
81A94.8Very high88.7Confident0 Ų033.8 Ų33.80%018%0.175CC..EExtended strand (participates in β ladder)trans-106.2114.8172.800000109.4W73 G78 L133 R134 G135 L165W73-A81 HydrophobicContact CH2-CB 4Å; W73-A81 HydrophobicContact CZ2-CB 4.39Å; G78-A81 PolarHBondContact O-N 3.4Å; A81-L133 HydrophobicContact CB-CD2 3.8Å; A81-L133 CarbonylContact O-C 3.6Å; A81-L133 VanDerWaalsContact O-C 3.25Å; A81-L133 WeakPolarHBondContact O-CA 3.43Å; A81-L133 WeakPolarHBondContact O-CB 3.43Å; A81-R134 PolarHBondContact O-N 3.11Å; A81-R134 VanDerWaalsContact O-N 3.14Å; A81-G135 WeakPolarHBondContact O-CA 3.24Å; A81-G135 PolarHBondContact O-N 3.15Å; A81-L165 CarbonylContact C-O 3.58Å; A81-L165 VanDerWaalsContact CA-O 3.32Å; A81-L165 WeakPolarHBondContact CA-O 3.48Å; A81-L165 HydrophobicContact CB-CD2 4.16Å
82G96.7Very high88.6Confident0 Ų034.4 Ų34.40%018%0.179CC..EExtended strand (participates in β ladder)trans-110.3178.2-174.900000114.6P136 L165 V166 V167G82-P136 CarbonylContact C-O 3.59Å; G82-P136 WeakPolarHBondContact CA-O 3.38Å; G82-L165 PolarHBondContact N-O 3.47Å; G82-V166 WeakPolarHBondContact O-CA 3.33Å; G82-V167 PolarHBondContact O-N 3.28Å
83V98.7Very high88.4Confident0 Ų031.7 Ų31.70%017%0.169CC..EExtended strand (participates in β ladder)trans-138.8128.2177.4-172.60000110.1F85 A124 I127 L133 P136 C137 M138 V167V83-F85 HydrophobicContact CG1-CB 4.04Å; V83-A124 HydrophobicContact CG1-CB 3.9Å; V83-I127 HydrophobicContact CG1-CB 4.23Å; V83-I127 HydrophobicContact CG1-CG2 3.91Å; V83-I127 HydrophobicContact CG2-CG2 3.91Å; V83-L133 HydrophobicContact CG2-CB 3.86Å; V83-L133 HydrophobicContact CG2-CD1 3.33Å; V83-L133 HydrophobicContact CG2-CG 4.23Å; V83-P136 PolarHBondContact N-O 3.13Å; V83-C137 WeakPolarHBondContact O-CA 3.45Å; V83-M138 PolarHBondContact O-N 2.86Å; V83-V167 CarbonylContact C-O 3.59Å; V83-V167 WeakPolarHBondContact CA-O 3.41Å
84C98.8Very high88.3Confident0 Ų032.3 Ų32.30%017%0.172CC..EExtended strand (participates in β ladder)trans-127.9100.1165.7-165.50000108.9M138 C150 M157 V166 V167 T168 G169C84-M138 VanDerWaalsContact CA-O 3.31Å; C84-M138 WeakPolarHBondContact CA-O 3.3Å; C84-M138 HydrophobicContact CB-CG 4.47Å; C84-C150 HydrophobicContact CB-CB 4.44Å; C84-C150 WeakPolarHBondContact O-CB 3.28Å; C84-M157 HydrophobicContact CB-CE 4.37Å; C84-V166 HydrophobicContact CB-CG1 4.28Å; C84-V167 PolarHBondContact N-O 2.85Å; C84-T168 HydrophobicContact CB-CG2 4.26Å; C84-T168 VanDerWaalsContact O-CA 3.23Å; C84-T168 WeakPolarHBondContact O-CA 3.44Å; C84-G169 PolarHBondContact O-N 2.92Å
85F98.8Very high88.6Confident0 Ų031.6 Ų31.60%018%0.175CC..EExtended strand (participates in β ladder)trans-132.1129.8-171.2-146.7-85.6000112.5V83 P123 A124 I127 M138 T139 G169 A170 C171 A219V83-F85 HydrophobicContact CG1-CB 4.04Å; F85-P123 HydrophobicContact CD1-CB 3.72Å; F85-P123 HydrophobicContact CE1-CB 4.39Å; F85-A124 HydrophobicContact CB-CB 4Å; F85-I127 HydrophobicContact CB-CD1 4.23Å; F85-I127 HydrophobicContact CD1-CD1 4.02Å; F85-I127 HydrophobicContact CD2-CD1 3.57Å; F85-I127 HydrophobicContact CE1-CD1 4.23Å; F85-I127 HydrophobicContact CE2-CD1 3.82Å; F85-I127 HydrophobicContact CG-CD1 3.67Å; F85-I127 HydrophobicContact CZ-CD1 4.14Å; F85-M138 PolarHBondContact N-O 3.39Å; F85-M138 VanDerWaalsContact N-O 3.13Å; F85-T139 WeakPolarHBondContact O-CB 3.29Å; F85-T139 WeakPolarHBondContact O-CG2 3.33Å; F85-T139 PolarHBondContact O-OG1 3.48Å; F85-G169 WeakPolarHBondContact CA-O 3.37Å; F85-A170 VanDerWaalsContact CE1-CA 3.45Å; F85-C171 HydrophobicContact CE1-CB 3.94Å; F85-A219 HydrophobicContact CE2-CB 3.98Å
86G98.1Very high89.4Confident0 Ų032.8 Ų32.80%018%0.175CC..EExtended strand (participates in β ladder)trans-99.3154.6-173.100000115.2C150 G169 A170 C171G86-C150 PolarHBondContact N-SG 3.33Å; G86-G169 PolarHBondContact N-O 3.29Å; G86-A170 CarbonylContact O-C 3.25Å; G86-A170 WeakPolarHBondContact O-CA 3.37Å; G86-A170 WeakPolarHBondContact O-CB 3.08Å; G86-C171 PolarHBondContact O-N 2.99Å
87V97.5Very high90.2Very high5 Ų536.6 Ų36.63%0.0320%0.196CC..EExtended strand (participates in β ladder)trans-152.8142.7165.560.20000109.4A56 D90 G120 P123 N141 C171A56-V87 HydrophobicContact CB-CG2 4.03Å; V87-D90 HydrophobicContact CG2-CB 3.58Å; V87-G120 WeakPolarHBondContact CG1-O 3.28Å; V87-P123 HydrophobicContact CB-CG 4.03Å; V87-P123 HydrophobicContact CG1-CG 3.83Å; V87-N141 PolarHBondContact O-ND2 2.91Å; V87-C171 WeakPolarHBondContact CA-O 3.22Å; V87-C171 WeakPolarHBondContact CG2-O 3.45Å
88G92.2Very high91.4Very high23 Ų2334.1 Ų34.124%0.23718%0.178CC..SBendtrans-99.6-70-176.400000113.7E172 A338G88-E172 WeakPolarHBondContact CA-OE2 3.32Å; G88-E172 PolarHBondContact N-OE2 3.19Å; G88-E172 VanDerWaalsContact N-OE2 3.13Å; G88-A338 VanDerWaalsContact N-CB 3.33Å
89L91.3Very high91.9Very high59 Ų5936.2 Ų36.231%0.30919%0.193SC..SBendtrans-125.152.2-164.9-69.4-179.2000114E172 P174 I179 F183 L337L89-E172 PolarHBondContact N-OE1 3.47Å; L89-E172 PolarHBondContact N-OE2 3.05Å; L89-P174 HydrophobicContact CB-CB 4.26Å; L89-I179 HydrophobicContact CB-CD1 4.04Å; L89-I179 HydrophobicContact CD1-CG2 4.38Å; L89-F183 HydrophobicContact CD1-CE2 3.68Å; L89-F183 HydrophobicContact CD1-CZ 3.74Å; L89-L337 HydrophobicContact CD1-CD1 3.74Å; L89-L337 HydrophobicContact CG-CD1 4.35Å
90D83.6Confident91.8Very high14 Ų1432.1 Ų32.18%0.07519%0.188CC..  trans-93-31.6-176.9-165.930.1000113.4S54 A56 V87 P92 N93S54-D90 WeakPolarHBondContact CB-OD2 3.18Å; S54-D90 PolarHBondContact OG-OD2 3.41Å; A56-D90 HydrophobicContact CB-CB 4.05Å; A56-D90 VanDerWaalsContact CB-CG 3.43Å; A56-D90 WeakPolarHBondContact CB-OD1 3.22Å; A56-D90 WeakPolarHBondContact CB-OD2 3.46Å; V87-D90 HydrophobicContact CG2-CB 3.58Å; D90-P92 VanDerWaalsContact C-CD 3.48Å; D90-N93 PolarHBondContact O-N 2.9Å
91G86.3Confident91.5Very high16 Ų1629.2 Ų29.217%0.16518%0.18CC..Hα-helixtrans-58-40.1-177.900000116.8N93 E94 V95G91-N93 PolarHBondContact O-N 3.48Å; G91-N93 VanDerWaalsContact O-N 3.13Å; G91-E94 PolarHBondContact O-N 2.62Å; G91-V95 WeakPolarHBondContact O-CG2 3.38Å; G91-V95 PolarHBondContact O-N 3.45Å
92P90.6Very high91.2Very high32 Ų3233.5 Ų33.521%0.20820%0.202CC..Hα-helixtrans-57-31.1-176.9-2936.8000114.6D90 V95 M96 I179D90-P92 VanDerWaalsContact C-CD 3.48Å; P92-V95 PolarHBondContact O-N 3.24Å; P92-M96 WeakPolarHBondContact O-CB 3.42Å; P92-M96 VanDerWaalsContact O-CG 3.26Å; P92-M96 WeakPolarHBondContact O-CG 3.32Å; P92-M96 PolarHBondContact O-N 3.25Å; P92-I179 HydrophobicContact CB-CD1 4.21Å; P92-I179 HydrophobicContact CB-CG1 4.37Å; P92-I179 HydrophobicContact CG-CD1 4.2Å
93N88.2Confident90.9Very high33 Ų3340.8 Ų40.818%0.17624%0.24CC..Hα-helixtrans-60-52.4179.2-72.7-47.4000111.8D90 G91 M96 N97 S173 N176D90-N93 PolarHBondContact O-N 2.9Å; G91-N93 PolarHBondContact O-N 3.48Å; G91-N93 VanDerWaalsContact O-N 3.13Å; N93-M96 PolarHBondContact O-N 3.26Å; N93-N97 WeakPolarHBondContact O-CB 3.41Å; N93-N97 PolarHBondContact O-N 3.05Å; N93-N97 PolarHBondContact O-ND2 3.3Å; N93-N97 VanDerWaalsContact O-ND2 3.15Å; N93-S173 PolarHBondContact ND2-O 3.16Å; N93-N176 VanDerWaalsContact OD1-CB 3.28Å; N93-N176 WeakPolarHBondContact OD1-CB 3.26Å; N93-N176 PolarHBondContact OD1-ND2 3.46Å
94E89.8Confident90.7Very high23 Ų2343.5 Ų43.511%0.10726%0.262CS..Hα-helixtrans-68.5-38.8-178.6-174.367.1-15700111.3G91 M96 N97 T98 A114 R117 I118G91-E94 PolarHBondContact O-N 2.62Å; E94-M96 PolarHBondContact O-N 3.04Å; E94-N97 PolarHBondContact O-N 3.25Å; E94-T98 WeakPolarHBondContact O-CG2 3.26Å; E94-T98 PolarHBondContact O-N 3.06Å; E94-T98 VanDerWaalsContact O-N 3.13Å; E94-T98 PolarHBondContact O-OG1 3.33Å; E94-A114 HydrophobicContact CG-CB 4.29Å; E94-R117 HydrophobicContact CB-CB 4.31Å; E94-R117 HydrophobicContact CG-CB 4.07Å; E94-R117 WeakPolarHBondContact OE2-CD 3.24Å; E94-R117 IonicContact OE2-CZ 3.95Å; E94-R117 IonicContact OE2-NH1 3.89Å; E94-R117 PolarHBondContact OE2-NH1 3.26Å; E94-I118 HydrophobicContact CB-CG2 3.58Å; E94-I118 HydrophobicContact CG-CG2 3.94Å
95V91.4Very high90.3Very high78 Ų7852.2 Ų52.247%0.47330%0.303SS..Hα-helixtrans-61.1-47.1176.3174.90000110.6G91 P92 T98 S99 I118G91-V95 WeakPolarHBondContact O-CG2 3.38Å; G91-V95 PolarHBondContact O-N 3.45Å; P92-V95 PolarHBondContact O-N 3.24Å; V95-T98 PolarHBondContact O-N 3.4Å; V95-T98 PolarHBondContact O-OG1 3.46Å; V95-S99 WeakPolarHBondContact O-CA 3.3Å; V95-S99 WeakPolarHBondContact O-CB 3.49Å; V95-S99 PolarHBondContact O-N 3.01Å; V95-S99 PolarHBondContact O-OG 2.92Å; V95-I118 HydrophobicContact CG2-CG2 4.36Å
96M88Confident89.8Confident61 Ų6160 Ų6030%0.333%0.333SS..Hα-helixtrans-63.7-43.8178.3-74-169.9-63.800112.5P92 N93 E94 T98 S99 N176 W178P92-M96 WeakPolarHBondContact O-CB 3.42Å; P92-M96 VanDerWaalsContact O-CG 3.26Å; P92-M96 WeakPolarHBondContact O-CG 3.32Å; P92-M96 PolarHBondContact O-N 3.25Å; N93-M96 PolarHBondContact O-N 3.26Å; E94-M96 PolarHBondContact O-N 3.04Å; M96-T98 PolarHBondContact O-N 3.12Å; M96-S99 PolarHBondContact O-OG 3.28Å; M96-N176 HydrophobicContact CE-CB 3.66Å; M96-N176 WeakPolarHBondContact CE-ND2 3.3Å; M96-N176 WeakPolarHBondContact CE-OD1 3.41Å; M96-W178 HydrophobicContact CE-CB 4.04Å; M96-W178 HydrophobicContact SD-CB 3.32Å; M96-W178 WeakPolarHBondContact SD-CB 3.47Å; M96-W178 HydrophobicContact SD-CG 4Å
97N85.2Confident89.3Confident122 Ų12269.3 Ų69.365%0.65237%0.369SS*.Hα-helixtrans-63.6-28-178.5-71.3-22.2000113.2N93 E94N93-N97 WeakPolarHBondContact O-CB 3.41Å; N93-N97 PolarHBondContact O-N 3.05Å; N93-N97 PolarHBondContact O-ND2 3.3Å; N93-N97 VanDerWaalsContact O-ND2 3.15Å; E94-N97 PolarHBondContact O-N 3.25Å
98T88.2Confident88.9Confident15 Ų1574.2 Ų74.29%0.09240%0.404CS..Hα-helixtrans-103.6-23.3-176.757.10000113.4E94 V95 M96 S100 G101 I102E94-T98 WeakPolarHBondContact O-CG2 3.26Å; E94-T98 PolarHBondContact O-N 3.06Å; E94-T98 VanDerWaalsContact O-N 3.13Å; E94-T98 PolarHBondContact O-OG1 3.33Å; V95-T98 PolarHBondContact O-N 3.4Å; V95-T98 PolarHBondContact O-OG1 3.46Å; M96-T98 PolarHBondContact O-N 3.12Å; T98-S100 PolarHBondContact O-N 3.34Å; T98-G101 PolarHBondContact O-N 2.85Å; T98-I102 PolarHBondContact O-N 3.15Å
99S89.5Confident88.6Confident44 Ų4475.8 Ų75.831%0.30841%0.409SS..Hα-helixtrans-57.6-42-174.7600000114.7V95 M96 G101 I102 L103V95-S99 WeakPolarHBondContact O-CA 3.3Å; V95-S99 WeakPolarHBondContact O-CB 3.49Å; V95-S99 PolarHBondContact O-N 3.01Å; V95-S99 PolarHBondContact O-OG 2.92Å; M96-S99 PolarHBondContact O-OG 3.28Å; S99-G101 VanDerWaalsContact C-N 3.27Å; S99-G101 PolarHBondContact O-N 3.12Å; S99-I102 PolarHBondContact O-N 3.15Å; S99-L103 WeakPolarHBondContact O-CG 3.44Å; S99-L103 PolarHBondContact O-N 2.76Å
100S87Confident88.4Confident80 Ų8075.8 Ų75.856%0.55941%0.408SS*.Hα-helixtrans-62.8-35.4-178.959.40000112.2T98 A104T98-S100 PolarHBondContact O-N 3.34Å; S100-A104 WeakPolarHBondContact O-CB 3.35Å; S100-A104 PolarHBondContact O-N 2.79Å; S100-A104 VanDerWaalsContact O-N 3.11Å
101G88.1Confident88.7Confident8 Ų876.8 Ų76.88%0.08242%0.422CS..Hα-helixtrans-68-4117500000112.7T98 S99 A104 E105 R106 T109T98-G101 PolarHBondContact O-N 2.85Å; S99-G101 VanDerWaalsContact C-N 3.27Å; S99-G101 PolarHBondContact O-N 3.12Å; G101-A104 CarbonylContact O-C 3.56Å; G101-A104 PolarHBondContact O-N 2.88Å; G101-E105 PolarHBondContact O-N 3.02Å; G101-R106 WeakPolarHBondContact O-CB 3.47Å; G101-R106 PolarHBondContact O-N 2.86Å; G101-T109 WeakPolarHBondContact CA-OG1 3.41Å
102I87.7Confident88.9Confident91 Ų9181.9 Ų81.947%0.46745%0.452SS..Hα-helixtrans-63.3-45.9175.6-64.6170000110.9T98 S99 A104 E105T98-I102 PolarHBondContact O-N 3.15Å; S99-I102 PolarHBondContact O-N 3.15Å; I102-A104 PolarHBondContact O-N 2.98Å; I102-E105 WeakPolarHBondContact O-CA 3.42Å; I102-E105 PolarHBondContact O-N 3.34Å
103L91.1Very high89Confident152 Ų15283.6 Ų83.680%0.79646%0.457SS*.Hα-helixtrans-64.8-24.3177.3-68.6174.7000112.8S99 E105S99-L103 WeakPolarHBondContact O-CG 3.44Å; S99-L103 PolarHBondContact O-N 2.76Å; L103-E105 VanDerWaalsContact C-N 3.29Å
104A93.1Very high89.1Confident57 Ų5782.4 Ų82.447%0.47145%0.452SS..THydrogen-bonded Turntrans-90.113.9171.900000113.4S100 G101 I102 R106S100-A104 WeakPolarHBondContact O-CB 3.35Å; S100-A104 PolarHBondContact O-N 2.79Å; S100-A104 VanDerWaalsContact O-N 3.11Å; G101-A104 CarbonylContact O-C 3.56Å; G101-A104 PolarHBondContact O-N 2.88Å; I102-A104 PolarHBondContact O-N 2.98Å; A104-R106 HydrophobicContact CB-CG 4.47Å; A104-R106 PolarHBondContact O-N 2.97Å
105E90.4Very high89.1Confident184 Ų18487 Ų8786%0.8648%0.476SS*.THydrogen-bonded Turntrans59.827.5179.5-56.7-177.8172.400114.5G101 I102 L103G101-E105 PolarHBondContact O-N 3.02Å; I102-E105 WeakPolarHBondContact O-CA 3.42Å; I102-E105 PolarHBondContact O-N 3.34Å; L103-E105 VanDerWaalsContact C-N 3.29Å
106R89.7Confident89.1Confident163 Ų16385.1 Ų85.162%0.61547%0.465SS*.  trans-102.283.5179.7-61.8179.5-177.3-99.8-1.6111.2G101 A104 S108 T109G101-R106 WeakPolarHBondContact O-CB 3.47Å; G101-R106 PolarHBondContact O-N 2.86Å; A104-R106 HydrophobicContact CB-CG 4.47Å; A104-R106 PolarHBondContact O-N 2.97Å; R106-S108 PolarHBondContact O-N 3.24Å; R106-T109 HydrophobicContact CB-CG2 3.7Å; R106-T109 WeakPolarHBondContact O-CB 3.43Å; R106-T109 WeakPolarHBondContact O-CG2 3.5Å; R106-T109 PolarHBondContact O-N 3.29Å; R106-T109 PolarHBondContact O-OG1 3.3Å
107Y86.8Confident89.3Confident196 Ų19685.9 Ų85.977%0.76947%0.465SS*.G310 helixtrans-53.3-38.3178.2177.9-104.3000113.1T109 I110Y107-T109 PolarHBondContact O-N 2.89Å; Y107-I110 HydrophobicContact CD2-CG2 4.13Å; Y107-I110 HydrophobicContact CE2-CG2 3.86Å; Y107-I110 VanDerWaalsContact O-CG2 3.28Å; Y107-I110 WeakPolarHBondContact O-CG2 3.41Å; Y107-I110 PolarHBondContact O-N 2.77Å
108S89Confident89.7Confident108 Ų10883 Ų8376%0.75545%0.449SS*.G310 helixtrans-62.3-9.2-179.756.40000115.3R106 I110R106-S108 PolarHBondContact O-N 3.24Å; S108-I110 VanDerWaalsContact C-N 3.3Å
109T85.7Confident89.9Confident56 Ų5686.3 Ų86.334%0.34447%0.465SS..G310 helixtrans-75.8-18.3173.8610000113G101 R106 Y107 G111G101-T109 WeakPolarHBondContact CA-OG1 3.41Å; R106-T109 HydrophobicContact CB-CG2 3.7Å; R106-T109 WeakPolarHBondContact O-CB 3.43Å; R106-T109 WeakPolarHBondContact O-CG2 3.5Å; R106-T109 PolarHBondContact O-N 3.29Å; R106-T109 PolarHBondContact O-OG1 3.3Å; Y107-T109 PolarHBondContact O-N 2.89Å; T109-G111 PolarHBondContact O-N 2.84Å
110I88Confident90.1Very high59 Ų5986 Ų8630%0.30347%0.468SS..SBendtrans-85.7112172.6-155.2170.4000109.4Y107 S108 A114Y107-I110 HydrophobicContact CD2-CG2 4.13Å; Y107-I110 HydrophobicContact CE2-CG2 3.86Å; Y107-I110 VanDerWaalsContact O-CG2 3.28Å; Y107-I110 WeakPolarHBondContact O-CG2 3.41Å; Y107-I110 PolarHBondContact O-N 2.77Å; S108-I110 VanDerWaalsContact C-N 3.3Å; I110-A114 HydrophobicContact CD1-CB 3.99Å; I110-A114 HydrophobicContact CG1-CB 3.46Å; I110-A114 VanDerWaalsContact CG1-CB 3.46Å
111G89.2Confident90.5Very high34 Ų3486.3 Ų86.335%0.35146%0.464SS..  trans-70.5158.9175.800000111.8T109 H113 A114T109-G111 PolarHBondContact O-N 2.84Å; G111-H113 PolarHBondContact O-N 2.8Å; G111-A114 WeakPolarHBondContact O-CB 3.36Å; G111-A114 PolarHBondContact O-N 3.25Å; G111-A114 VanDerWaalsContact O-N 3.09Å
112P91.1Very high90.9Very high123 Ų12387.5 Ų87.580%0.79947%0.468SS*.THydrogen-bonded Turntrans-62.6-14.4177.727.2-35.7000113.5
113H91.4Very high91.4Very high69 Ų6983.2 Ų83.232%0.31945%0.446SS..THydrogen-bonded Turntrans-101.22.9-179.5-58.2-50.5000114R51 S52 G111 L115 T116 R117R51-H113 PolarHBondContact O-CD2 3.01Å; S52-H113 WeakPolarHBondContact CB-ND1 3.45Å; G111-H113 PolarHBondContact O-N 2.8Å; H113-L115 PolarHBondContact O-N 2.78Å; H113-T116 WeakPolarHBondContact CA-OG1 3.32Å; H113-T116 WeakPolarHBondContact CB-OG1 3.26Å; H113-T116 PolarHBondContact O-N 3.43Å; H113-T116 VanDerWaalsContact O-N 3.12Å; H113-T116 PolarHBondContact O-OG1 3.33Å; H113-R117 VanDerWaalsContact O-CG 3.32Å; H113-R117 WeakPolarHBondContact O-CG 3.28Å; H113-R117 PolarHBondContact O-N 3.35Å; H113-R117 VanDerWaalsContact O-N 3.07Å
114A90.5Very high91.7Very high8 Ų876 Ų767%0.06641%0.408CS..THydrogen-bonded Turntrans-55.7-42.4-177.500000111.6E94 I110 G111 R117 I118E94-A114 HydrophobicContact CG-CB 4.29Å; I110-A114 HydrophobicContact CD1-CB 3.99Å; I110-A114 HydrophobicContact CG1-CB 3.46Å; I110-A114 VanDerWaalsContact CG1-CB 3.46Å; G111-A114 WeakPolarHBondContact O-CB 3.36Å; G111-A114 PolarHBondContact O-N 3.25Å; G111-A114 VanDerWaalsContact O-N 3.09Å; A114-R117 PolarHBondContact O-N 3.01Å; A114-I118 WeakPolarHBondContact O-CG2 3.39Å
115L90.3Very high91.9Very high119 Ų11974.7 Ų74.762%0.62340%0.401SS*.G310 helixtrans-69.4-42.5176.8-67.8179.3000112.9H113 R117 I118 L119H113-L115 PolarHBondContact O-N 2.78Å; L115-R117 PolarHBondContact O-N 3.25Å; L115-R117 VanDerWaalsContact O-N 3.12Å; L115-I118 HydrophobicContact CD2-CD1 3.97Å; L115-I118 HydrophobicContact CD2-CG1 4.49Å; L115-I118 WeakPolarHBondContact O-CG1 3.32Å; L115-I118 PolarHBondContact O-N 2.86Å; L115-I118 VanDerWaalsContact O-N 3.1Å; L115-L119 VanDerWaalsContact O-CG 3.3Å; L115-L119 WeakPolarHBondContact O-CG 3.42Å; L115-L119 PolarHBondContact O-N 3.36Å; L115-L119 VanDerWaalsContact O-N 3.12Å
116T91.3Very high92.1Very high39 Ų3966.5 Ų66.524%0.23936%0.362CS..G310 helixtrans-67.6-12.6-179.760.30000113S52 H113 M122S52-T116 PolarHBondContact O-OG1 3.13Å; H113-T116 WeakPolarHBondContact CA-OG1 3.32Å; H113-T116 WeakPolarHBondContact CB-OG1 3.26Å; H113-T116 PolarHBondContact O-N 3.43Å; H113-T116 VanDerWaalsContact O-N 3.12Å; H113-T116 PolarHBondContact O-OG1 3.33Å; T116-M122 HydrophobicContact CG2-CE 4.11Å; T116-M122 HydrophobicContact CG2-SD 4.43Å; T116-M122 WeakPolarHBondContact O-CG 3.16Å
117R92.3Very high92.4Very high77 Ų7758.7 Ų58.729%0.29133%0.333SS..G310 helixtrans-96.2-9.8175.1-68.7175.9175-162.8-1.2114.5R51 S52 E94 H113 A114 L115R51-R117 PolarHBondContact O-NE 2.98Å; R51-R117 VanDerWaalsContact O-NE 3.16Å; R51-R117 PolarHBondContact O-NH2 3.45Å; S52-R117 WeakPolarHBondContact O-CG 3.21Å; E94-R117 HydrophobicContact CB-CB 4.31Å; E94-R117 HydrophobicContact CG-CB 4.07Å; E94-R117 WeakPolarHBondContact OE2-CD 3.24Å; E94-R117 IonicContact OE2-CZ 3.95Å; E94-R117 IonicContact OE2-NH1 3.89Å; E94-R117 PolarHBondContact OE2-NH1 3.26Å; H113-R117 VanDerWaalsContact O-CG 3.32Å; H113-R117 WeakPolarHBondContact O-CG 3.28Å; H113-R117 PolarHBondContact O-N 3.35Å; H113-R117 VanDerWaalsContact O-N 3.07Å; A114-R117 PolarHBondContact O-N 3.01Å; L115-R117 PolarHBondContact O-N 3.25Å; L115-R117 VanDerWaalsContact O-N 3.12Å
118I92.6Very high92.9Very high61 Ų6150.5 Ų50.531%0.31330%0.304SS..THydrogen-bonded Turntrans-114.5-20.6-179.268.7174.5000113.9E94 V95 A114 L115 G120E94-I118 HydrophobicContact CB-CG2 3.58Å; E94-I118 HydrophobicContact CG-CG2 3.94Å; V95-I118 HydrophobicContact CG2-CG2 4.36Å; A114-I118 WeakPolarHBondContact O-CG2 3.39Å; L115-I118 HydrophobicContact CD2-CD1 3.97Å; L115-I118 HydrophobicContact CD2-CG1 4.49Å; L115-I118 WeakPolarHBondContact O-CG1 3.32Å; L115-I118 PolarHBondContact O-N 2.86Å; L115-I118 VanDerWaalsContact O-N 3.1Å; I118-G120 PolarHBondContact O-N 2.68Å
119L94.2Very high93.1Very high85 Ų8552.2 Ų52.245%0.44529%0.294SS..  trans-69122.8-178.4-75.3173000110.5L115 N121 M122L115-L119 VanDerWaalsContact O-CG 3.3Å; L115-L119 WeakPolarHBondContact O-CG 3.42Å; L115-L119 PolarHBondContact O-N 3.36Å; L115-L119 VanDerWaalsContact O-N 3.12Å; L119-N121 PolarHBondContact O-N 3.08Å; L119-N121 VanDerWaalsContact O-N 3.15Å; L119-M122 HydrophobicContact CB-CG 3.5Å; L119-M122 HydrophobicContact CB-SD 4.26Å; L119-M122 HydrophobicContact CD1-SD 4.39Å; L119-M122 VanDerWaalsContact O-CB 3.29Å; L119-M122 WeakPolarHBondContact O-CB 3.4Å; L119-M122 WeakPolarHBondContact O-CG 3.36Å; L119-M122 PolarHBondContact O-N 2.77Å; L119-M122 VanDerWaalsContact O-N 3.11Å
120G93.1Very high93.5Very high36 Ų3649.8 Ų49.837%0.37128%0.279SS..THydrogen-bonded Turntrans-63.3-22.6-174.900000114.5V87 I118 M122 T139V87-G120 WeakPolarHBondContact CG1-O 3.28Å; I118-G120 PolarHBondContact O-N 2.68Å; G120-M122 VanDerWaalsContact C-N 3.3Å; G120-M122 PolarHBondContact O-N 3Å; G120-T139 WeakPolarHBondContact O-CG2 3.4Å
121N95.9Very high93.7Very high88 Ų8847.2 Ų47.247%0.47127%0.265SS..THydrogen-bonded Turntrans-84.2-1.7178.669.4-62000114.3L119 A124 G125 T139L119-N121 PolarHBondContact O-N 3.08Å; L119-N121 VanDerWaalsContact O-N 3.15Å; N121-A124 PolarHBondContact O-N 3.45Å; N121-G125 PolarHBondContact O-N 3.48Å; N121-T139 WeakPolarHBondContact CA-OG1 3.27Å
122M96.1Very high93.9Very high32 Ų3246.7 Ų46.716%0.15826%0.26CS..Hα-helixtrans-65-42.1-173.3-69.3-66.9-44.500114T116 L119 G120 A124 G125 I126T116-M122 HydrophobicContact CG2-CE 4.11Å; T116-M122 HydrophobicContact CG2-SD 4.43Å; T116-M122 WeakPolarHBondContact O-CG 3.16Å; L119-M122 HydrophobicContact CB-CG 3.5Å; L119-M122 HydrophobicContact CB-SD 4.26Å; L119-M122 HydrophobicContact CD1-SD 4.39Å; L119-M122 VanDerWaalsContact O-CB 3.29Å; L119-M122 WeakPolarHBondContact O-CB 3.4Å; L119-M122 WeakPolarHBondContact O-CG 3.36Å; L119-M122 PolarHBondContact O-N 2.77Å; L119-M122 VanDerWaalsContact O-N 3.11Å; G120-M122 VanDerWaalsContact C-N 3.3Å; G120-M122 PolarHBondContact O-N 3Å; M122-A124 VanDerWaalsContact C-N 3.31Å; M122-A124 PolarHBondContact O-N 3.31Å; M122-G125 PolarHBondContact O-N 3.39Å; M122-I126 HydrophobicContact CB-CD1 4.16Å; M122-I126 HydrophobicContact CE-CD1 3.8Å; M122-I126 HydrophobicContact CE-CG1 3.9Å; M122-I126 WeakPolarHBondContact O-CB 3.14Å; M122-I126 VanDerWaalsContact O-CD1 3.31Å; M122-I126 WeakPolarHBondContact O-CD1 3.36Å; M122-I126 VanDerWaalsContact O-CG1 3.23Å; M122-I126 WeakPolarHBondContact O-CG1 3.46Å; M122-I126 PolarHBondContact O-N 3.05Å
123P96.8Very high94.1Very high1 Ų140.8 Ų40.81%0.00622%0.222CC..Hα-helixtrans-53.6-48.6175.2-26.734.3000112.2F85 V87 I126 I127F85-P123 HydrophobicContact CD1-CB 3.72Å; F85-P123 HydrophobicContact CE1-CB 4.39Å; V87-P123 HydrophobicContact CB-CG 4.03Å; V87-P123 HydrophobicContact CG1-CG 3.83Å; P123-I126 PolarHBondContact O-N 2.93Å; P123-I127 WeakPolarHBondContact O-CB 3.36Å; P123-I127 WeakPolarHBondContact O-CD1 3.25Å; P123-I127 WeakPolarHBondContact O-CG1 3.3Å; P123-I127 PolarHBondContact O-N 3.22Å
124A98.2Very high94.2Very high1 Ų144.1 Ų44.11%0.00823%0.232CC..Hα-helixtrans-63.2-46178.900000112.1V83 F85 N121 M122 I126 I127 S128 M138V83-A124 HydrophobicContact CG1-CB 3.9Å; F85-A124 HydrophobicContact CB-CB 4Å; N121-A124 PolarHBondContact O-N 3.45Å; M122-A124 VanDerWaalsContact C-N 3.31Å; M122-A124 PolarHBondContact O-N 3.31Å; A124-I126 PolarHBondContact O-N 2.95Å; A124-I127 PolarHBondContact O-N 3.39Å; A124-S128 VanDerWaalsContact O-CB 3.3Å; A124-S128 WeakPolarHBondContact O-CB 3.19Å; A124-S128 PolarHBondContact O-N 3.5Å; A124-M138 WeakPolarHBondContact CB-O 3.25Å
125G97.1Very high94.4Very high30 Ų3044.5 Ų44.531%0.30924%0.236SC..Hα-helixtrans-64.3-39.8179.800000113.6N121 M122 R129N121-G125 PolarHBondContact O-N 3.48Å; M122-G125 PolarHBondContact O-N 3.39Å; G125-R129 WeakPolarHBondContact O-CB 3.27Å; G125-R129 PolarHBondContact O-N 2.8Å
126I95.8Very high94.8Very high11 Ų1140.6 Ų40.66%0.05622%0.218CC..Hα-helixtrans-70-45.1178.3-63.8155.3000110.4V53 I61 M122 P123 A124 S128 R129 I130V53-I126 HydrophobicContact CB-CD1 4.04Å; V53-I126 HydrophobicContact CG1-CD1 3.44Å; V53-I126 VanDerWaalsContact CG1-CD1 3.44Å; V53-I126 HydrophobicContact CG1-CG1 4.27Å; V53-I126 HydrophobicContact CG1-CG2 4.29Å; I61-I126 HydrophobicContact CD1-CB 4.49Å; I61-I126 HydrophobicContact CD1-CG2 3.51Å; I61-I126 HydrophobicContact CG1-CG2 4Å; M122-I126 HydrophobicContact CB-CD1 4.16Å; M122-I126 HydrophobicContact CE-CD1 3.8Å; M122-I126 HydrophobicContact CE-CG1 3.9Å; M122-I126 WeakPolarHBondContact O-CB 3.14Å; M122-I126 VanDerWaalsContact O-CD1 3.31Å; M122-I126 WeakPolarHBondContact O-CD1 3.36Å; M122-I126 VanDerWaalsContact O-CG1 3.23Å; M122-I126 WeakPolarHBondContact O-CG1 3.46Å; M122-I126 PolarHBondContact O-N 3.05Å; P123-I126 PolarHBondContact O-N 2.93Å; A124-I126 PolarHBondContact O-N 2.95Å; I126-S128 VanDerWaalsContact C-N 3.32Å; I126-S128 PolarHBondContact O-N 3.18Å; I126-R129 PolarHBondContact O-N 3.08Å; I126-I130 HydrophobicContact CG2-CD1 3.6Å; I126-I130 HydrophobicContact CG2-CG1 4.15Å; I126-I130 VanDerWaalsContact O-CG1 3.32Å; I126-I130 WeakPolarHBondContact O-CG1 3.45Å; I126-I130 PolarHBondContact O-N 3.38Å
127I96Very high95.1Very high0 Ų041.7 Ų41.70%023%0.227CC..Hα-helixtrans-57.7-47.1174.7-72.7163.7000110.5T64 V83 F85 P123 A124 R129 I130 W131 L133 V167T64-I127 HydrophobicContact CG2-CG1 4.36Å; T64-I127 HydrophobicContact CG2-CG2 3.82Å; T64-I127 VanDerWaalsContact OG1-CD1 3.28Å; T64-I127 WeakPolarHBondContact OG1-CD1 3.45Å; V83-I127 HydrophobicContact CG1-CB 4.23Å; V83-I127 HydrophobicContact CG1-CG2 3.91Å; V83-I127 HydrophobicContact CG2-CG2 3.91Å; F85-I127 HydrophobicContact CB-CD1 4.23Å; F85-I127 HydrophobicContact CD1-CD1 4.02Å; F85-I127 HydrophobicContact CD2-CD1 3.57Å; F85-I127 HydrophobicContact CE1-CD1 4.23Å; F85-I127 HydrophobicContact CE2-CD1 3.82Å; F85-I127 HydrophobicContact CG-CD1 3.67Å; F85-I127 HydrophobicContact CZ-CD1 4.14Å; P123-I127 WeakPolarHBondContact O-CB 3.36Å; P123-I127 WeakPolarHBondContact O-CD1 3.25Å; P123-I127 WeakPolarHBondContact O-CG1 3.3Å; P123-I127 PolarHBondContact O-N 3.22Å; A124-I127 PolarHBondContact O-N 3.39Å; I127-R129 VanDerWaalsContact C-N 3.32Å; I127-R129 PolarHBondContact O-N 3.2Å; I127-I130 PolarHBondContact O-N 2.95Å; I127-W131 HydrophobicContact CB-CZ3 4.46Å; I127-W131 HydrophobicContact CG1-CZ3 4.25Å; I127-W131 HydrophobicContact CG2-CE3 4.06Å; I127-W131 HydrophobicContact CG2-CZ3 4.3Å; I127-W131 PolarHBondContact O-N 3.23Å; I127-L133 HydrophobicContact CG2-CD1 4.05Å; I127-V167 HydrophobicContact CG2-CG1 4.27Å
128S95.8Very high95.4Very high23 Ų2341.6 Ų41.616%0.16123%0.23CC..Hα-helixtrans-56.8-45.1176.5165.60000112A124 I126 G132 L133A124-S128 VanDerWaalsContact O-CB 3.3Å; A124-S128 WeakPolarHBondContact O-CB 3.19Å; A124-S128 PolarHBondContact O-N 3.5Å; I126-S128 VanDerWaalsContact C-N 3.32Å; I126-S128 PolarHBondContact O-N 3.18Å; S128-G132 CarbonylContact O-C 3.48Å; S128-G132 WeakPolarHBondContact O-CA 3.45Å; S128-G132 PolarHBondContact O-N 2.92Å; S128-L133 PolarHBondContact O-N 3.33Å; S128-L133 PolarHBondContact OG-O 3.19Å
129R93.9Very high95.6Very high144 Ų14440.4 Ų40.454%0.54323%0.226SC..Hα-helixtrans-62.8-50.8177.4171.6-173.6150.580.8-0.5112.5D49 G125 I126 I127 W131 G132D49-R129 IonicContact OD1-NH2 2.93Å; D49-R129 IonicContact OD2-CZ 3.16Å; D49-R129 IonicContact OD2-NE 3.02Å; D49-R129 PolarHBondContact OD2-NE 2.8Å; D49-R129 IonicContact OD2-NH2 3.06Å; D49-R129 PolarHBondContact OD2-NH2 3.06Å; D49-R129 VanDerWaalsContact OD2-NH2 3.12Å; G125-R129 WeakPolarHBondContact O-CB 3.27Å; G125-R129 PolarHBondContact O-N 2.8Å; I126-R129 PolarHBondContact O-N 3.08Å; I127-R129 VanDerWaalsContact C-N 3.32Å; I127-R129 PolarHBondContact O-N 3.2Å; R129-W131 VanDerWaalsContact C-N 3.33Å; R129-W131 PolarHBondContact O-N 3.5Å; R129-G132 PolarHBondContact O-N 3.29Å
130I93.8Very high95.8Very high5 Ų537.5 Ų37.53%0.02621%0.212CC..Hα-helixtrans-62.5-41.2-171.7-70.2174000111.4V38 I46 I61 I126 I127V38-I130 HydrophobicContact CB-CG2 4.43Å; V38-I130 HydrophobicContact CG1-CG2 3.71Å; V38-I130 HydrophobicContact CG2-CG2 3.76Å; I46-I130 HydrophobicContact CD1-CD1 4.32Å; I46-I130 HydrophobicContact CG2-CG1 4.17Å; I61-I130 HydrophobicContact CD1-CD1 4.15Å; I61-I130 HydrophobicContact CG1-CD1 4.18Å; I61-I130 HydrophobicContact CG2-CD1 3.8Å; I126-I130 HydrophobicContact CG2-CD1 3.6Å; I126-I130 HydrophobicContact CG2-CG1 4.15Å; I126-I130 VanDerWaalsContact O-CG1 3.32Å; I126-I130 WeakPolarHBondContact O-CG1 3.45Å; I126-I130 PolarHBondContact O-N 3.38Å; I127-I130 PolarHBondContact O-N 2.95Å
131W93.3Very high96Very high5 Ų540.4 Ų40.42%0.01922%0.219CC..Hα-helixtrans-1046.9-176.8-71.3-79000114.7V38 I61 T64 C65 F68 W73 I127 R129 L133V38-W131 HydrophobicContact CG2-CZ2 3.9Å; I61-W131 HydrophobicContact CG2-CH2 3.98Å; I61-W131 HydrophobicContact CG2-CZ3 4.36Å; I61-W131 WeakPolarHBondContact O-CH2 3.3Å; T64-W131 HydrophobicContact CG2-CD2 4.39Å; T64-W131 HydrophobicContact CG2-CE3 3.76Å; T64-W131 HydrophobicContact CG2-CH2 3.8Å; T64-W131 HydrophobicContact CG2-CZ2 4.41Å; T64-W131 HydrophobicContact CG2-CZ3 3.44Å; T64-W131 VanDerWaalsContact CG2-CZ3 3.44Å; C65-W131 HydrophobicContact CB-CH2 4.04Å; C65-W131 HydrophobicContact CB-CZ2 3.76Å; F68-W131 HydrophobicContact CD2-CB 4.24Å; F68-W131 AromaticContact CD2-CD1 3.53Å; F68-W131 AromaticContact CD2-CD2 3.4Å; F68-W131 HydrophobicContact CD2-CD2 3.4Å; F68-W131 VanDerWaalsContact CD2-CD2 3.4Å; F68-W131 AromaticContact CD2-CE2 3.47Å; F68-W131 VanDerWaalsContact CD2-CE2 3.47Å; F68-W131 HydrophobicContact CD2-CE3 4.03Å; F68-W131 AromaticContact CD2-CG 3.47Å; F68-W131 HydrophobicContact CD2-CG 3.47Å; F68-W131 VanDerWaalsContact CD2-CG 3.47Å; F68-W131 HydrophobicContact CD2-CZ2 4.14Å; F68-W131 AromaticContact CD2-NE1 3.52Å; F68-W131 HydrophobicContact CE2-CB 3.58Å; F68-W131 AromaticContact CE2-CD1 3.79Å; F68-W131 AromaticContact CE2-CD2 3.43Å; F68-W131 HydrophobicContact CE2-CD2 3.43Å; F68-W131 VanDerWaalsContact CE2-CD2 3.43Å; F68-W131 AromaticContact CE2-CE3 3.84Å; F68-W131 HydrophobicContact CE2-CE3 3.84Å; F68-W131 AromaticContact CE2-CG 3.29Å; F68-W131 HydrophobicContact CE2-CG 3.29Å; F68-W131 HydrophobicContact CZ-CB 4.2Å; F68-W131 HydrophobicContact CZ-CG 4.29Å; W73-W131 AromaticContact CD1-CD1 3.98Å; I127-W131 HydrophobicContact CB-CZ3 4.46Å; I127-W131 HydrophobicContact CG1-CZ3 4.25Å; I127-W131 HydrophobicContact CG2-CE3 4.06Å; I127-W131 HydrophobicContact CG2-CZ3 4.3Å; I127-W131 PolarHBondContact O-N 3.23Å; R129-W131 VanDerWaalsContact C-N 3.33Å; R129-W131 PolarHBondContact O-N 3.5Å; W131-L133 VanDerWaalsContact C-N 3.35Å; W131-L133 HydrophobicContact CB-CD1 4.16Å; W131-L133 HydrophobicContact CB-CD2 4.17Å; W131-L133 HydrophobicContact CB-CG 3.94Å; W131-L133 PolarHBondContact O-N 3.5Å
132G92.1Very high96.1Very high23 Ų2337.4 Ų37.424%0.23720%0.204CC..THydrogen-bonded Turntrans68.129.9174.500000114.6S77 G78 S128 R129 R134S77-G132 WeakPolarHBondContact CA-O 3.29Å; G78-G132 PolarHBondContact N-O 3.3Å; S128-G132 CarbonylContact O-C 3.48Å; S128-G132 WeakPolarHBondContact O-CA 3.45Å; S128-G132 PolarHBondContact O-N 2.92Å; R129-G132 PolarHBondContact O-N 3.29Å; G132-R134 PolarHBondContact O-N 3.46Å
133L94.6Very high96.1Very high0 Ų037.2 Ų37.20%021%0.207CC..BIsolated β-bridgetrans-82.7105.3-175.1-48.1170.4000109.3F68 W73 A81 V83 I127 S128 W131 V167F68-L133 HydrophobicContact CE2-CD1 4.07Å; F68-L133 HydrophobicContact CZ-CD1 3.79Å; F68-L133 HydrophobicContact CZ-CD2 3.93Å; F68-L133 HydrophobicContact CZ-CG 4.42Å; W73-L133 HydrophobicContact CZ2-CD2 3.88Å; A81-L133 HydrophobicContact CB-CD2 3.8Å; A81-L133 CarbonylContact O-C 3.6Å; A81-L133 VanDerWaalsContact O-C 3.25Å; A81-L133 WeakPolarHBondContact O-CA 3.43Å; A81-L133 WeakPolarHBondContact O-CB 3.43Å; V83-L133 HydrophobicContact CG2-CB 3.86Å; V83-L133 HydrophobicContact CG2-CD1 3.33Å; V83-L133 HydrophobicContact CG2-CG 4.23Å; I127-L133 HydrophobicContact CG2-CD1 4.05Å; S128-L133 PolarHBondContact O-N 3.33Å; S128-L133 PolarHBondContact OG-O 3.19Å; W131-L133 VanDerWaalsContact C-N 3.35Å; W131-L133 HydrophobicContact CB-CD1 4.16Å; W131-L133 HydrophobicContact CB-CD2 4.17Å; W131-L133 HydrophobicContact CB-CG 3.94Å; W131-L133 PolarHBondContact O-N 3.5Å; L133-V167 HydrophobicContact CD1-CB 4.43Å; L133-V167 HydrophobicContact CD1-CG2 3.72Å
134R94.6Very high96.2Very high139 Ų13937.8 Ų37.853%0.52521%0.211SC..  trans-108.27.3-169.3-69.6-177.6175.9160.72.4114.4G78 Y79 A81 G132G78-R134 PolarHBondContact O-N 2.65Å; Y79-R134 HydrophobicContact CD1-CB 3.98Å; Y79-R134 HydrophobicContact CE1-CB 4.33Å; Y79-R134 HydrophobicContact CG-CB 4.43Å; A81-R134 PolarHBondContact O-N 3.11Å; A81-R134 VanDerWaalsContact O-N 3.14Å; G132-R134 PolarHBondContact O-N 3.46Å
135G95.2Very high96.2Very high16 Ų1637.7 Ų37.717%0.16521%0.211CC..SBendtrans-74.8-158168.100000112.2Y79 A81 C137Y79-G135 VanDerWaalsContact O-CA 3.29Å; Y79-G135 WeakPolarHBondContact O-CA 3.41Å; A81-G135 WeakPolarHBondContact O-CA 3.24Å; A81-G135 PolarHBondContact O-N 3.15Å; G135-C137 PolarHBondContact O-N 2.79Å
136P97.4Very high96.3Very high37 Ų3736.3 Ų36.324%0.2420%0.196CC..  trans-52.2128.8175.4-25.734.6000111.3G82 V83 M157 E162G82-P136 CarbonylContact C-O 3.59Å; G82-P136 WeakPolarHBondContact CA-O 3.38Å; V83-P136 PolarHBondContact N-O 3.13Å; P136-M157 HydrophobicContact CB-CE 4.21Å; P136-M157 HydrophobicContact CB-SD 3.91Å; P136-M157 HydrophobicContact CG-SD 4.35Å; P136-E162 HydrophobicContact CG-CB 4.44Å
137C98.3Very high96.4Very high62 Ų6235.8 Ų35.842%0.41919%0.193SC..EExtended strand (participates in β ladder)trans-129.6104.4178.4176.60000109V83 G135V83-C137 WeakPolarHBondContact O-CA 3.45Å; G135-C137 PolarHBondContact O-N 2.79Å
138M98.2Very high96.5Very high74 Ų7435.8 Ų35.837%0.36519%0.193SC..EExtended strand (participates in β ladder)trans-148.7171.4-174.866.9-177.1-75.500113.3V83 C84 F85 A124 V140 M157V83-M138 PolarHBondContact O-N 2.86Å; C84-M138 VanDerWaalsContact CA-O 3.31Å; C84-M138 WeakPolarHBondContact CA-O 3.3Å; C84-M138 HydrophobicContact CB-CG 4.47Å; F85-M138 PolarHBondContact N-O 3.39Å; F85-M138 VanDerWaalsContact N-O 3.13Å; A124-M138 WeakPolarHBondContact CB-O 3.25Å; M138-V140 HydrophobicContact CE-CG2 4.06Å; M138-M157 HydrophobicContact CG-CE 3.78Å; M138-M157 HydrophobicContact SD-CE 3.21Å; M138-M157 WeakPolarHBondContact SD-CE 3.3Å
139T98.3Very high96.7Very high37 Ų3735 Ų3523%0.22719%0.187CC..  trans-130.7134.5176.6-72.40000108.9F85 G120 N121F85-T139 WeakPolarHBondContact O-CB 3.29Å; F85-T139 WeakPolarHBondContact O-CG2 3.33Å; F85-T139 PolarHBondContact O-OG1 3.48Å; G120-T139 WeakPolarHBondContact O-CG2 3.4Å; N121-T139 WeakPolarHBondContact CA-OG1 3.27Å
140V97.7Very high96.9Very high23 Ų2328.2 Ų28.214%0.13916%0.161CC..  trans-106.7128.7169179.90000108.3M138 T142 H149 E153M138-V140 HydrophobicContact CE-CG2 4.06Å; V140-T142 HydrophobicContact CG1-CG2 3.99Å; V140-H149 HydrophobicContact CG1-CB 3.88Å; V140-E153 HydrophobicContact CG2-CG 3.91Å
141N96.2Very high97.2Very high97 Ų9728 Ų2852%0.51916%0.16SC..  trans-119.2106.5173-172.6-18.5000109.5V87 A143 S146V87-N141 PolarHBondContact O-ND2 2.91Å; N141-A143 PolarHBondContact OD1-N 3.11Å; N141-A143 VanDerWaalsContact OD1-N 3.13Å; N141-S146 WeakPolarHBondContact CA-OG 3.29Å
142T97.7Very high97.4Very high25 Ų2527.7 Ų27.715%0.15316%0.159CC..  trans-128.143.6174.949.30000109.6V140 C144 A145 S146 H149 T430V140-T142 HydrophobicContact CG1-CG2 3.99Å; T142-C144 PolarHBondContact O-N 3.48Å; T142-A145 WeakPolarHBondContact O-CB 3.31Å; T142-A145 PolarHBondContact O-N 3.23Å; T142-A145 VanDerWaalsContact OG1-C 3.3Å; T142-S146 PolarHBondContact N-OG 2.98Å; T142-S146 WeakPolarHBondContact OG1-CA 3.29Å; T142-S146 PolarHBondContact OG1-N 3.19Å; T142-H149 WeakPolarHBondContact CB-ND1 3.39Å; T142-H149 WeakPolarHBondContact CG2-ND1 3.48Å; T142-H149 PolarHBondContact OG1-ND1 3.42Å; T142-T430 HydrophobicContact CG2-CG2 4.3Å; T142-T430 PolarHBondContact O-OG1 3.45Å; T142-T430 VanDerWaalsContact O-OG1 3.11Å
143A97Very high97.8Very high28 Ų2828.4 Ų28.423%0.23116%0.156CC..G310 helixtrans50.7-124.9-174.800000110.9N141 A145 S146 A338 F427N141-A143 PolarHBondContact OD1-N 3.11Å; N141-A143 VanDerWaalsContact OD1-N 3.13Å; A143-A145 PolarHBondContact O-N 3.06Å; A143-S146 PolarHBondContact N-OG 2.71Å; A143-S146 VanDerWaalsContact O-CB 3.29Å; A143-S146 WeakPolarHBondContact O-CB 3.47Å; A143-S146 PolarHBondContact O-N 3.41Å; A143-S146 VanDerWaalsContact O-N 3.15Å; A143-S146 PolarHBondContact O-OG 2.89Å; A143-A338 WeakPolarHBondContact O-CA 3.35Å; A143-F427 HydrophobicContact CB-CB 4.12Å
144C98.3Very high98Very high13 Ų1328.4 Ų28.49%0.08816%0.156CC..G310 helixtrans-68-18.6-176.7-500000114.1T142 S146 H335 S424 F425T142-C144 PolarHBondContact O-N 3.48Å; C144-S146 VanDerWaalsContact C-N 3.3Å; C144-H335 PolarHBondContact SG-NE2 3.48Å; C144-S424 PolarHBondContact O-OG 3.16Å; C144-F425 WeakPolarHBondContact CB-O 3.46Å
145A98.5Very high98.2Very high0 Ų022.9 Ų22.90%014%0.136CC..G310 helixtrans-80.6-8.3175.600000113.7T142 A143 G147 L148 H149 S424T142-A145 WeakPolarHBondContact O-CB 3.31Å; T142-A145 PolarHBondContact O-N 3.23Å; T142-A145 VanDerWaalsContact OG1-C 3.3Å; A143-A145 PolarHBondContact O-N 3.06Å; A145-G147 PolarHBondContact O-N 3.34Å; A145-L148 PolarHBondContact O-N 2.87Å; A145-L148 VanDerWaalsContact O-N 3.16Å; A145-H149 PolarHBondContact O-N 3.44Å; A145-S424 WeakPolarHBondContact CB-O 3.3Å
146S98.7Very high98.3Very high0 Ų024.8 Ų24.80%014%0.138CC..Hα-helixtrans-53.2-50.5-170.2-59.20000113.8N141 T142 A143 C144 L148 H149 C150N141-S146 WeakPolarHBondContact CA-OG 3.29Å; T142-S146 PolarHBondContact N-OG 2.98Å; T142-S146 WeakPolarHBondContact OG1-CA 3.29Å; T142-S146 PolarHBondContact OG1-N 3.19Å; A143-S146 PolarHBondContact N-OG 2.71Å; A143-S146 VanDerWaalsContact O-CB 3.29Å; A143-S146 WeakPolarHBondContact O-CB 3.47Å; A143-S146 PolarHBondContact O-N 3.41Å; A143-S146 VanDerWaalsContact O-N 3.15Å; A143-S146 PolarHBondContact O-OG 2.89Å; C144-S146 VanDerWaalsContact C-N 3.3Å; S146-L148 PolarHBondContact O-N 3.23Å; S146-H149 PolarHBondContact O-N 2.88Å; S146-C150 WeakPolarHBondContact O-CB 3.26Å; S146-C150 PolarHBondContact O-N 3.41Å; S146-C150 PolarHBondContact O-SG 2.87Å
147G98.8Very high98.4Very high0 Ų023.4 Ų23.40%013%0.129CC..Hα-helixtrans-61.9-41.3-178.900000113.3A145 C150 I151 A170 A338A145-G147 PolarHBondContact O-N 3.34Å; G147-C150 PolarHBondContact O-N 3.44Å; G147-I151 WeakPolarHBondContact O-CG1 3.2Å; G147-I151 PolarHBondContact O-N 2.81Å; G147-A170 VanDerWaalsContact CA-CB 3.5Å; G147-A338 WeakPolarHBondContact CA-O 3.36Å; G147-A338 PolarHBondContact N-O 3.44Å
148L98.9Very high98.3Very high0 Ų021.7 Ų21.70%012%0.115CC..Hα-helixtrans-69.1-42.3176.6-171.8158.4000110.9A145 S146 C150 I151 G152 F249 T422 L434A145-L148 PolarHBondContact O-N 2.87Å; A145-L148 VanDerWaalsContact O-N 3.16Å; S146-L148 PolarHBondContact O-N 3.23Å; L148-C150 VanDerWaalsContact C-N 3.33Å; L148-C150 PolarHBondContact O-N 3.27Å; L148-I151 PolarHBondContact O-N 2.76Å; L148-G152 PolarHBondContact O-N 3.5Å; L148-F249 HydrophobicContact CD2-CD2 4.28Å; L148-F249 HydrophobicContact CD2-CE2 3.82Å; L148-T422 HydrophobicContact CD1-CG2 4.32Å; L148-T422 WeakPolarHBondContact CD1-O 3.48Å; L148-L434 HydrophobicContact CD1-CB 4.39Å; L148-L434 HydrophobicContact CD2-CB 4.4Å; L148-L434 HydrophobicContact CG-CB 4.32Å
149H98.9Very high98.2Very high8 Ų822.8 Ų22.84%0.03712%0.12CC..Hα-helixtrans-63.6-36.9175.2-75.6-179.1000112.4V140 T142 A145 S146 I151 G152 E153 N431 G432V140-H149 HydrophobicContact CG1-CB 3.88Å; T142-H149 WeakPolarHBondContact CB-ND1 3.39Å; T142-H149 WeakPolarHBondContact CG2-ND1 3.48Å; T142-H149 PolarHBondContact OG1-ND1 3.42Å; A145-H149 PolarHBondContact O-N 3.44Å; S146-H149 PolarHBondContact O-N 2.88Å; H149-I151 VanDerWaalsContact C-N 3.33Å; H149-I151 PolarHBondContact O-N 3.16Å; H149-G152 PolarHBondContact O-N 3.27Å; H149-E153 WeakPolarHBondContact O-CB 2.95Å; H149-E153 WeakPolarHBondContact O-CG 3.27Å; H149-E153 PolarHBondContact O-N 2.87Å; H149-N431 PolarHBondContact NE2-O 3.49Å; H149-G432 WeakPolarHBondContact NE2-CA 3.4Å
150C98.9Very high98.2Very high0 Ų026 Ų260%014%0.135CC..Hα-helixtrans-61-42.1174-72.30000111.9C84 G86 S146 G147 L148 E153 G154 T168C84-C150 HydrophobicContact CB-CB 4.44Å; C84-C150 WeakPolarHBondContact O-CB 3.28Å; G86-C150 PolarHBondContact N-SG 3.33Å; S146-C150 WeakPolarHBondContact O-CB 3.26Å; S146-C150 PolarHBondContact O-N 3.41Å; S146-C150 PolarHBondContact O-SG 2.87Å; G147-C150 PolarHBondContact O-N 3.44Å; L148-C150 VanDerWaalsContact C-N 3.33Å; L148-C150 PolarHBondContact O-N 3.27Å; C150-E153 PolarHBondContact O-N 2.89Å; C150-G154 PolarHBondContact O-N 3.42Å; C150-T168 WeakPolarHBondContact O-CG2 3.4Å
151I98.9Very high98.1Very high0 Ų030 Ų300%016%0.156CC..Hα-helixtrans-65-45.9175.4-64.8165.9000110.5G147 L148 H149 E153 G154 F155 T168 V220 L222 A342 T345 L434G147-I151 WeakPolarHBondContact O-CG1 3.2Å; G147-I151 PolarHBondContact O-N 2.81Å; L148-I151 PolarHBondContact O-N 2.76Å; H149-I151 VanDerWaalsContact C-N 3.33Å; H149-I151 PolarHBondContact O-N 3.16Å; I151-E153 PolarHBondContact O-N 2.92Å; I151-G154 PolarHBondContact O-N 3.02Å; I151-F155 PolarHBondContact O-N 3.28Å; I151-T168 WeakPolarHBondContact CG1-OG1 3.34Å; I151-V220 HydrophobicContact CD1-CG2 4.18Å; I151-L222 HydrophobicContact CG2-CD1 4.11Å; I151-L222 WeakPolarHBondContact O-CD1 3.21Å; I151-A342 HydrophobicContact CD1-CB 4.13Å; I151-T345 HydrophobicContact CD1-CG2 3.66Å; I151-T345 WeakPolarHBondContact CD1-OG1 3.31Å; I151-T345 HydrophobicContact CG2-CG2 4.31Å; I151-L434 HydrophobicContact CG2-CD2 3.68Å
152G98.9Very high98Very high0 Ų030 Ų300%015%0.153CC..Hα-helixtrans-61.9-38.7176.400000113.6L148 H149 F155 R156 F249L148-G152 PolarHBondContact O-N 3.5Å; H149-G152 PolarHBondContact O-N 3.27Å; G152-F155 WeakPolarHBondContact O-CB 3.48Å; G152-F155 PolarHBondContact O-N 3Å; G152-R156 WeakPolarHBondContact O-CG 3.1Å; G152-R156 PolarHBondContact O-N 3.06Å; G152-F249 VanDerWaalsContact C-CE1 3.45Å; G152-F249 VanDerWaalsContact CA-CE1 3.46Å
153E98.8Very high97.9Very high38 Ų3828.9 Ų28.918%0.17815%0.146CC..Hα-helixtrans-68-42173.8-72.3-51.5112.400111.8V140 H149 C150 I151 F155 R156 M157 R251V140-E153 HydrophobicContact CG2-CG 3.91Å; H149-E153 WeakPolarHBondContact O-CB 2.95Å; H149-E153 WeakPolarHBondContact O-CG 3.27Å; H149-E153 PolarHBondContact O-N 2.87Å; C150-E153 PolarHBondContact O-N 2.89Å; I151-E153 PolarHBondContact O-N 2.92Å; E153-F155 VanDerWaalsContact C-N 3.27Å; E153-F155 PolarHBondContact O-N 2.93Å; E153-R156 PolarHBondContact O-N 3.35Å; E153-R156 VanDerWaalsContact O-N 3.1Å; E153-M157 HydrophobicContact CB-CE 4.42Å; E153-M157 VanDerWaalsContact O-CG 3.3Å; E153-M157 WeakPolarHBondContact O-CG 3.44Å; E153-M157 PolarHBondContact O-N 2.6Å; E153-R251 IonicContact OE1-CZ 2.66Å; E153-R251 IonicContact OE1-NE 2.84Å; E153-R251 IonicContact OE1-NH1 3.03Å; E153-R251 PolarHBondContact OE1-NH1 3.21Å; E153-R251 IonicContact OE1-NH2 2.74Å; E153-R251 PolarHBondContact OE1-NH2 3.47Å
154G98.8Very high97.8Very high0 Ų027.7 Ų27.70%014%0.136CC..Hα-helixtrans-60.8-37.5173.500000112.6C150 I151 M157 I158C150-G154 PolarHBondContact O-N 3.42Å; I151-G154 PolarHBondContact O-N 3.02Å; G154-M157 PolarHBondContact O-N 3.48Å; G154-I158 WeakPolarHBondContact O-CG1 3.47Å; G154-I158 PolarHBondContact O-N 3.26Å; G154-I158 VanDerWaalsContact O-N 3.12Å
155F98.8Very high97.6Very high23 Ų2327.1 Ų27.110%0.10113%0.132CC..Hα-helixtrans-60.8-45.2171.3173.7-120.6000111.8I151 G152 E153 I158 Q159 L222 V246 F249I151-F155 PolarHBondContact O-N 3.28Å; G152-F155 WeakPolarHBondContact O-CB 3.48Å; G152-F155 PolarHBondContact O-N 3Å; E153-F155 VanDerWaalsContact C-N 3.27Å; E153-F155 PolarHBondContact O-N 2.93Å; F155-I158 PolarHBondContact O-N 3.45Å; F155-Q159 HydrophobicContact CD2-CG 4.23Å; F155-Q159 HydrophobicContact CE2-CG 3.95Å; F155-Q159 HydrophobicContact CZ-CG 4.14Å; F155-Q159 WeakPolarHBondContact O-CG 3.43Å; F155-Q159 PolarHBondContact O-N 3.41Å; F155-L222 HydrophobicContact CB-CD1 4.24Å; F155-V246 HydrophobicContact CB-CG1 4.28Å; F155-V246 HydrophobicContact CD1-CG1 4Å; F155-V246 HydrophobicContact CD2-CB 4.07Å; F155-V246 HydrophobicContact CD2-CG1 3.8Å; F155-V246 HydrophobicContact CE1-CG1 4.18Å; F155-V246 HydrophobicContact CE2-CB 4.24Å; F155-V246 HydrophobicContact CE2-CG1 4Å; F155-V246 VanDerWaalsContact CE2-O 3.27Å; F155-V246 WeakPolarHBondContact CE2-O 3.4Å; F155-V246 HydrophobicContact CG-CB 4.48Å; F155-V246 HydrophobicContact CG-CG1 3.78Å; F155-V246 HydrophobicContact CZ-CG1 4.16Å; F155-F249 HydrophobicContact CD1-CB 3.92Å; F155-F249 HydrophobicContact CE1-CB 4.23Å
156R98.6Very high97.6Very high55 Ų5527.1 Ų27.121%0.20813%0.132CC..Hα-helixtrans-65.6-40175.9-65.2-51.6-178.1-166.1-2.8113.1G152 E153 I158 Q159 N160 F249 D278G152-R156 WeakPolarHBondContact O-CG 3.1Å; G152-R156 PolarHBondContact O-N 3.06Å; E153-R156 PolarHBondContact O-N 3.35Å; E153-R156 VanDerWaalsContact O-N 3.1Å; R156-I158 VanDerWaalsContact C-N 3.29Å; R156-I158 PolarHBondContact O-N 3.38Å; R156-Q159 PolarHBondContact O-N 3.22Å; R156-N160 VanDerWaalsContact O-CB 3.3Å; R156-N160 WeakPolarHBondContact O-CB 3.49Å; R156-N160 VanDerWaalsContact O-CG 3.26Å; R156-N160 PolarHBondContact O-N 3.05Å; R156-F249 HydrophobicContact CG-CD1 4.24Å; R156-F249 PolarHBondContact NH2-O 3.49Å; R156-D278 IonicContact CZ-OD1 2.61Å; R156-D278 IonicContact CZ-OD2 2.56Å; R156-D278 IonicContact NH1-OD1 2.76Å; R156-D278 PolarHBondContact NH1-OD1 3.24Å; R156-D278 IonicContact NH1-OD2 2.93Å; R156-D278 PolarHBondContact NH1-OD2 3.44Å; R156-D278 VanDerWaalsContact NH1-OD2 3.16Å; R156-D278 IonicContact NH2-OD1 3.08Å; R156-D278 PolarHBondContact NH2-OD1 3.25Å; R156-D278 IonicContact NH2-OD2 2.93Å; R156-D278 PolarHBondContact NH2-OD2 3.46Å
157M98.3Very high97.6Very high8 Ų827.1 Ų27.14%0.03913%0.132CC..Hα-helixtrans-57.3-44.3175.6-70.4168.3-172.600111.3C84 P136 M138 E153 G154 N160 N161 E162 V166C84-M157 HydrophobicContact CB-CE 4.37Å; P136-M157 HydrophobicContact CB-CE 4.21Å; P136-M157 HydrophobicContact CB-SD 3.91Å; P136-M157 HydrophobicContact CG-SD 4.35Å; M138-M157 HydrophobicContact CG-CE 3.78Å; M138-M157 HydrophobicContact SD-CE 3.21Å; M138-M157 WeakPolarHBondContact SD-CE 3.3Å; E153-M157 HydrophobicContact CB-CE 4.42Å; E153-M157 VanDerWaalsContact O-CG 3.3Å; E153-M157 WeakPolarHBondContact O-CG 3.44Å; E153-M157 PolarHBondContact O-N 2.6Å; G154-M157 PolarHBondContact O-N 3.48Å; M157-N160 PolarHBondContact O-N 2.81Å; M157-N161 PolarHBondContact O-N 3.27Å; M157-E162 HydrophobicContact CB-CB 4.35Å; M157-E162 WeakPolarHBondContact O-CB 3.36Å; M157-E162 PolarHBondContact O-N 2.87Å; M157-V166 HydrophobicContact CB-CG2 4.16Å; M157-V166 HydrophobicContact SD-CG1 4.17Å; M157-V166 HydrophobicContact SD-CG2 4.2Å
158I97.5Very high97.6Very high27 Ų2727.1 Ų27.114%0.13813%0.132CC..Hα-helixtrans-66.8-47.5176.9-69.6166.2000111G154 F155 R156 N160 N161 A163 V166 L222 A224G154-I158 WeakPolarHBondContact O-CG1 3.47Å; G154-I158 PolarHBondContact O-N 3.26Å; G154-I158 VanDerWaalsContact O-N 3.12Å; F155-I158 PolarHBondContact O-N 3.45Å; R156-I158 VanDerWaalsContact C-N 3.29Å; R156-I158 PolarHBondContact O-N 3.38Å; I158-N160 PolarHBondContact O-N 2.72Å; I158-N161 PolarHBondContact O-N 2.96Å; I158-A163 WeakPolarHBondContact CA-O 3.44Å; I158-V166 HydrophobicContact CD1-CB 4.48Å; I158-V166 HydrophobicContact CD1-CG2 4.18Å; I158-V166 HydrophobicContact CG1-CG2 3.97Å; I158-L222 HydrophobicContact CD1-CB 3.59Å; I158-A224 HydrophobicContact CG2-CB 3.85Å
159Q96.8Very high97.6Very high97 Ų9727.1 Ų27.145%0.45313%0.132SC..Hα-helixtrans-59.7-35177.9-75.1-173.5-42.300113.1F155 R156 N161F155-Q159 HydrophobicContact CD2-CG 4.23Å; F155-Q159 HydrophobicContact CE2-CG 3.95Å; F155-Q159 HydrophobicContact CZ-CG 4.14Å; F155-Q159 WeakPolarHBondContact O-CG 3.43Å; F155-Q159 PolarHBondContact O-N 3.41Å; R156-Q159 PolarHBondContact O-N 3.22Å; Q159-N161 VanDerWaalsContact C-N 3.25Å; Q159-N161 PolarHBondContact O-N 3.48Å
160N97.1Very high97.6Very high104 Ų10426.8 Ų26.856%0.55613%0.13SC*.THydrogen-bonded Turntrans-84.65.4177.8-68.3-13.3000113.4R156 M157 I158 E162R156-N160 VanDerWaalsContact O-CB 3.3Å; R156-N160 WeakPolarHBondContact O-CB 3.49Å; R156-N160 VanDerWaalsContact O-CG 3.26Å; R156-N160 PolarHBondContact O-N 3.05Å; M157-N160 PolarHBondContact O-N 2.81Å; I158-N160 PolarHBondContact O-N 2.72Å; N160-E162 HydrophobicContact CB-CG 4Å; N160-E162 WeakPolarHBondContact CB-OE1 3.28Å; N160-E162 PolarHBondContact ND2-OE1 3.06Å; N160-E162 PolarHBondContact O-N 3.37Å
161N94.9Very high97.6Very high106 Ų10626.8 Ų26.857%0.56713%0.13SC*.THydrogen-bonded Turntrans61.624.1-179.9-166.234.3000114.4R80 M157 I158 Q159R80-N161 PolarHBondContact NH1-O 3.2Å; R80-N161 VanDerWaalsContact NH1-O 3.07Å; R80-N161 PolarHBondContact NH2-O 3.29Å; R80-N161 VanDerWaalsContact NH2-O 3.13Å; R80-N161 PolarHBondContact NH2-OD1 2.83Å; M157-N161 PolarHBondContact O-N 3.27Å; I158-N161 PolarHBondContact O-N 2.96Å; Q159-N161 VanDerWaalsContact C-N 3.25Å; Q159-N161 PolarHBondContact O-N 3.48Å
162E95.9Very high97.5Very high99 Ų9926.8 Ų26.846%0.46313%0.13SC..SBendtrans-79.2-25.3177-61.5173.2-148.900111.9P136 M157 N160P136-E162 HydrophobicContact CG-CB 4.44Å; M157-E162 HydrophobicContact CB-CB 4.35Å; M157-E162 WeakPolarHBondContact O-CB 3.36Å; M157-E162 PolarHBondContact O-N 2.87Å; N160-E162 HydrophobicContact CB-CG 4Å; N160-E162 WeakPolarHBondContact CB-OE1 3.28Å; N160-E162 PolarHBondContact ND2-OE1 3.06Å; N160-E162 PolarHBondContact O-N 3.37Å
163A95.2Very high97.4Very high0 Ų027 Ų270%013%0.132CC..  trans-151.5154.3176.600000110.4R80 I158 V166R80-A163 CarbonylContact O-C 3.52Å; R80-A163 WeakPolarHBondContact O-CA 3.36Å; R80-A163 WeakPolarHBondContact O-CB 3.28Å; I158-A163 WeakPolarHBondContact CA-O 3.44Å; A163-V166 HydrophobicContact CB-CG2 3.69Å
164D94.4Very high97.2Very high4 Ų425.2 Ų25.22%0.02112%0.123CC..SBendtrans-96.4-21.2172.2-52.2-45.9000112R80 Q223 A224 P228 L232R80-D164 VanDerWaalsContact CB-OD2 3.23Å; R80-D164 WeakPolarHBondContact CB-OD2 3.43Å; R80-D164 VanDerWaalsContact CD-OD2 3.24Å; R80-D164 WeakPolarHBondContact CD-OD2 3.39Å; R80-D164 IonicContact CZ-OD1 3.5Å; R80-D164 IonicContact CZ-OD2 3.94Å; R80-D164 IonicContact NE-OD1 2.7Å; R80-D164 PolarHBondContact NE-OD1 3.25Å; R80-D164 VanDerWaalsContact NE-OD1 3.16Å; R80-D164 IonicContact NE-OD2 3.24Å; R80-D164 PolarHBondContact NE-OD2 3.01Å; R80-D164 IonicContact NH2-OD1 3.58Å; R80-D164 PolarHBondContact NH2-OD1 3.4Å; R80-D164 IonicContact NH2-OD2 3.54Å; R80-D164 PolarHBondContact O-N 2.81Å; D164-Q223 CarbonylContact O-C 3.4Å; D164-Q223 VanDerWaalsContact O-CA 3.28Å; D164-Q223 WeakPolarHBondContact O-CA 3.43Å; D164-A224 PolarHBondContact O-N 2.86Å; D164-P228 HydrophobicContact CB-CG 4.25Å; D164-P228 WeakPolarHBondContact OD1-CG 3.28Å; D164-L232 HydrophobicContact CB-CB 4.45Å; D164-L232 HydrophobicContact CB-CD2 4Å
165L94.9Very high96.8Very high1 Ų125.8 Ų25.81%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-141.5136.2177.2-179.8143.3000109.5F68 W73 R80 A81 G82 V167 V221 L222 L232 F236F68-L165 HydrophobicContact CE1-CD2 4.43Å; W73-L165 HydrophobicContact CE3-CD1 4.11Å; W73-L165 HydrophobicContact CZ3-CD1 3.72Å; W73-L165 HydrophobicContact CZ3-CD2 4.37Å; R80-L165 PolarHBondContact O-N 2.61Å; A81-L165 CarbonylContact C-O 3.58Å; A81-L165 VanDerWaalsContact CA-O 3.32Å; A81-L165 WeakPolarHBondContact CA-O 3.48Å; A81-L165 HydrophobicContact CB-CD2 4.16Å; G82-L165 PolarHBondContact N-O 3.47Å; L165-V167 HydrophobicContact CD2-CG2 4.33Å; L165-V221 HydrophobicContact CD1-CG1 3.48Å; L165-V221 VanDerWaalsContact CD1-CG1 3.48Å; L165-V221 HydrophobicContact CD2-CG1 4.21Å; L165-V221 HydrophobicContact CG-CG1 3.8Å; L165-L222 CarbonylContact C-O 3.51Å; L165-L222 VanDerWaalsContact CA-O 3.27Å; L165-L222 WeakPolarHBondContact CA-O 3.12Å; L165-L232 HydrophobicContact CB-CD1 3.96Å; L165-L232 HydrophobicContact CD1-CD1 4Å; L165-F236 HydrophobicContact CD1-CE1 4.12Å; L165-F236 HydrophobicContact CD1-CZ 3.64Å
166V97.9Very high96.4Very high0 Ų025.2 Ų25.20%012%0.124CC..EExtended strand (participates in β ladder)trans-134.3122.7173.8-171.30000109G82 C84 M157 I158 A163 T168 L222G82-V166 WeakPolarHBondContact O-CA 3.33Å; C84-V166 HydrophobicContact CB-CG1 4.28Å; M157-V166 HydrophobicContact CB-CG2 4.16Å; M157-V166 HydrophobicContact SD-CG1 4.17Å; M157-V166 HydrophobicContact SD-CG2 4.2Å; I158-V166 HydrophobicContact CD1-CB 4.48Å; I158-V166 HydrophobicContact CD1-CG2 4.18Å; I158-V166 HydrophobicContact CG1-CG2 3.97Å; A163-V166 HydrophobicContact CB-CG2 3.69Å; V166-T168 HydrophobicContact CB-CG2 4.17Å; V166-T168 HydrophobicContact CG1-CG2 3.64Å; V166-T168 PolarHBondContact O-N 3.5Å; V166-L222 PolarHBondContact N-O 3.16Å; V166-L222 PolarHBondContact O-N 2.7Å
167V98.3Very high95.8Very high0 Ų023.6 Ų23.60%012%0.123CC..EExtended strand (participates in β ladder)trans-76.2120.9165.3-177.10000107.8T64 F68 G82 V83 C84 I127 L133 L165T64-V167 HydrophobicContact CG2-CG1 3.81Å; F68-V167 HydrophobicContact CE1-CG2 3.64Å; F68-V167 HydrophobicContact CE2-CG2 3.76Å; F68-V167 HydrophobicContact CZ-CG2 3.1Å; G82-V167 PolarHBondContact O-N 3.28Å; V83-V167 CarbonylContact C-O 3.59Å; V83-V167 WeakPolarHBondContact CA-O 3.41Å; C84-V167 PolarHBondContact N-O 2.85Å; I127-V167 HydrophobicContact CG2-CG1 4.27Å; L133-V167 HydrophobicContact CD1-CB 4.43Å; L133-V167 HydrophobicContact CD1-CG2 3.72Å; L165-V167 HydrophobicContact CD2-CG2 4.33Å
168T98.9Very high95.4Very high0 Ų030.4 Ų30.40%015%0.148CC..EExtended strand (participates in β ladder)trans-123.7154.5-178.658.90000111.1C84 C150 I151 V166 A219 V220 L222C84-T168 HydrophobicContact CB-CG2 4.26Å; C84-T168 VanDerWaalsContact O-CA 3.23Å; C84-T168 WeakPolarHBondContact O-CA 3.44Å; C150-T168 WeakPolarHBondContact O-CG2 3.4Å; I151-T168 WeakPolarHBondContact CG1-OG1 3.34Å; V166-T168 HydrophobicContact CB-CG2 4.17Å; V166-T168 HydrophobicContact CG1-CG2 3.64Å; V166-T168 PolarHBondContact O-N 3.5Å; T168-A219 CarbonylContact O-C 3.5Å; T168-A219 VanDerWaalsContact O-CA 3.3Å; T168-A219 WeakPolarHBondContact O-CA 3.45Å; T168-V220 PolarHBondContact N-O 3.09Å; T168-V220 PolarHBondContact O-N 2.9Å; T168-V220 PolarHBondContact OG1-O 2.69Å; T168-V220 VanDerWaalsContact OG1-O 3.1Å; T168-L222 HydrophobicContact CG2-CD1 3.94Å; T168-L222 HydrophobicContact CG2-CG 4.44Å
169G98.8Very high95.2Very high0 Ų029.2 Ų29.20%014%0.142CC..EExtended strand (participates in β ladder)trans157.1-166.2176.900000112.7C84 F85 G86 A218C84-G169 PolarHBondContact O-N 2.92Å; F85-G169 WeakPolarHBondContact CA-O 3.37Å; G86-G169 PolarHBondContact N-O 3.29Å; G169-A218 VanDerWaalsContact CA-O 3.28Å; G169-A218 WeakPolarHBondContact CA-O 3.38Å
170A98.9Very high95Very high0 Ų024.7 Ų24.70%012%0.121CC..EExtended strand (participates in β ladder)trans-158.5158.8171.700000110.9F85 G86 G147 A217 A218 A338 A342F85-A170 VanDerWaalsContact CE1-CA 3.45Å; G86-A170 CarbonylContact O-C 3.25Å; G86-A170 WeakPolarHBondContact O-CA 3.37Å; G86-A170 WeakPolarHBondContact O-CB 3.08Å; G147-A170 VanDerWaalsContact CA-CB 3.5Å; A170-A217 VanDerWaalsContact O-CA 3.31Å; A170-A217 WeakPolarHBondContact O-CA 3.42Å; A170-A218 PolarHBondContact N-O 2.64Å; A170-A218 PolarHBondContact O-N 3.45Å; A170-A218 VanDerWaalsContact O-N 3.13Å; A170-A338 WeakPolarHBondContact CB-O 3.18Å; A170-A342 HydrophobicContact CB-CB 4.47Å
171C98.6Very high94.7Very high0 Ų021.5 Ų21.50%011%0.109CC..EExtended strand (participates in β ladder)trans-130.7151175.758.10000110.7A56 F85 G86 V87 G216 A217A56-C171 VanDerWaalsContact C-SG 3.54Å; A56-C171 HydrophobicContact CB-CB 4.41Å; A56-C171 WeakPolarHBondContact O-CB 3.48Å; A56-C171 PolarHBondContact O-SG 3.33Å; F85-C171 HydrophobicContact CE1-CB 3.94Å; G86-C171 PolarHBondContact O-N 2.99Å; V87-C171 WeakPolarHBondContact CA-O 3.22Å; V87-C171 WeakPolarHBondContact CG2-O 3.45Å; C171-G216 CarbonylContact C-O 3.47Å; C171-G216 WeakPolarHBondContact CA-O 3.27Å; C171-A217 HydrophobicContact CB-CB 3.65Å
172E97.9Very high94.6Very high1 Ų118.1 Ų18.11%0.00510%0.096CC..EExtended strand (participates in β ladder)trans-150138.2177.4-167.269-95.500110.7G88 L89 P174 E215 G216 C336 L337 A338 A339G88-E172 WeakPolarHBondContact CA-OE2 3.32Å; G88-E172 PolarHBondContact N-OE2 3.19Å; G88-E172 VanDerWaalsContact N-OE2 3.13Å; L89-E172 PolarHBondContact N-OE1 3.47Å; L89-E172 PolarHBondContact N-OE2 3.05Å; E172-P174 HydrophobicContact CG-CB 4.17Å; E172-P174 HydrophobicContact CG-CG 3.75Å; E172-E215 CarbonylContact O-C 3.43Å; E172-E215 WeakPolarHBondContact O-CA 3.41Å; E172-E215 VanDerWaalsContact O-CB 3.31Å; E172-E215 WeakPolarHBondContact O-CB 3.39Å; E172-G216 PolarHBondContact N-O 3.27Å; E172-G216 PolarHBondContact O-N 3.37Å; E172-C336 VanDerWaalsContact CB-O 3.23Å; E172-C336 WeakPolarHBondContact CB-O 3.12Å; E172-L337 HydrophobicContact CG-CB 3.91Å; E172-L337 HydrophobicContact CG-CD1 4.25Å; E172-L337 HydrophobicContact CG-CG 4.31Å; E172-A338 WeakPolarHBondContact OE2-CB 3.31Å; E172-A338 PolarHBondContact OE2-N 2.9Å; E172-A339 HydrophobicContact CB-CB 4.04Å
173S96.2Very high94.5Very high5 Ų514.4 Ų14.44%0.0358%0.078CC..  trans-145.168.7174.9171.10000110.6R55 N93 L175 E215R55-S173 WeakPolarHBondContact CD-OG 3.12Å; R55-S173 VanDerWaalsContact CG-OG 3.31Å; R55-S173 WeakPolarHBondContact CG-OG 3.47Å; R55-S173 PolarHBondContact NE-OG 3.26Å; N93-S173 PolarHBondContact ND2-O 3.16Å; S173-L175 VanDerWaalsContact C-N 3.29Å; S173-L175 PolarHBondContact O-N 3.15Å; S173-E215 PolarHBondContact OG-OE2 2.9Å
174P93.8Very high94.3Very high0 Ų015.7 Ų15.70%09%0.087CC..  trans-92.814.3-16437.8-28.6000112.4L89 E172 N176 I179 L213 S214 L337L89-P174 HydrophobicContact CB-CB 4.26Å; E172-P174 HydrophobicContact CG-CB 4.17Å; E172-P174 HydrophobicContact CG-CG 3.75Å; P174-N176 PolarHBondContact O-N 2.85Å; P174-I179 HydrophobicContact CB-CD1 4.12Å; P174-I179 HydrophobicContact CB-CG2 4.34Å; P174-I179 WeakPolarHBondContact O-CB 3.42Å; P174-I179 WeakPolarHBondContact O-CD1 3.3Å; P174-I179 WeakPolarHBondContact O-CG2 3.42Å; P174-L213 HydrophobicContact CB-CD1 4.34Å; P174-L213 HydrophobicContact CB-CD2 4.41Å; P174-L213 HydrophobicContact CG-CD1 3.65Å; P174-L213 HydrophobicContact CG-CD2 4.09Å; P174-L213 HydrophobicContact CG-CG 3.89Å; P174-S214 WeakPolarHBondContact CD-O 3.33Å; P174-L337 HydrophobicContact CB-CD1 3.95Å; P174-L337 HydrophobicContact CG-CD1 3.94Å; P174-L337 HydrophobicContact CG-CG 4.46Å
175L91.7Very high94.2Very high12 Ų1225.5 Ų25.56%0.06312%0.123CC..  trans-81.387.5-168.9-56.3-176.8000111.7F5 F19 G20 S21 S173 L213 E215F5-L175 HydrophobicContact CZ-CB 4.39Å; F19-L175 HydrophobicContact CB-CD2 3.97Å; F19-L175 HydrophobicContact CD2-CD1 4.08Å; F19-L175 HydrophobicContact CD2-CD2 4.44Å; F19-L175 HydrophobicContact CG-CD2 4.42Å; G20-L175 WeakPolarHBondContact O-CD1 3.36Å; S21-L175 VanDerWaalsContact CB-CD1 3.47Å; S173-L175 VanDerWaalsContact C-N 3.29Å; S173-L175 PolarHBondContact O-N 3.15Å; L175-L213 HydrophobicContact CD2-CD2 3.97Å; L175-L213 HydrophobicContact CD2-CG 3.99Å; L175-E215 HydrophobicContact CD1-CB 4.35Å; L175-E215 HydrophobicContact CD1-CG 4.03Å; L175-E215 HydrophobicContact CG-CB 4.42Å
176N89.4Confident94Very high10 Ų1030 Ų305%0.05315%0.147CC..SBendtrans-147.2160.7168.970.161.8000112.2N93 M96 P174 W178 I179 I180N93-N176 VanDerWaalsContact OD1-CB 3.28Å; N93-N176 WeakPolarHBondContact OD1-CB 3.26Å; N93-N176 PolarHBondContact OD1-ND2 3.46Å; M96-N176 HydrophobicContact CE-CB 3.66Å; M96-N176 WeakPolarHBondContact CE-ND2 3.3Å; M96-N176 WeakPolarHBondContact CE-OD1 3.41Å; P174-N176 PolarHBondContact O-N 2.85Å; N176-W178 PolarHBondContact O-N 2.73Å; N176-W178 PolarHBondContact OD1-N 3Å; N176-W178 VanDerWaalsContact OD1-N 3.16Å; N176-I179 WeakPolarHBondContact ND2-CD1 3.25Å; N176-I179 WeakPolarHBondContact ND2-CG1 3.36Å; N176-I179 PolarHBondContact O-N 2.85Å; N176-I179 WeakPolarHBondContact OD1-CG1 3.3Å; N176-I179 PolarHBondContact OD1-N 2.92Å; N176-I180 PolarHBondContact O-N 2.86Å
177A86.8Confident93.7Very high21 Ų2140.4 Ų40.417%0.17419%0.186CC..Hα-helixtrans-64.1-33.9-16800000111.8F5 I8 L9 A181F5-A177 HydrophobicContact CD2-CB 4.42Å; I8-A177 HydrophobicContact CG2-CB 3.93Å; L9-A177 HydrophobicContact CD2-CB 4.28Å; L9-A177 HydrophobicContact CG-CB 4.4Å; A177-A181 VanDerWaalsContact O-CB 3.24Å; A177-A181 WeakPolarHBondContact O-CB 3.35Å; A177-A181 PolarHBondContact O-N 3.42Å
178W90.5Very high93.5Very high152 Ų15241 Ų4158%0.57619%0.191SC*.Hα-helixtrans-68.6-45.8178.8-175.195.5000112M96 N176 I180 A181 A182M96-W178 HydrophobicContact CE-CB 4.04Å; M96-W178 HydrophobicContact SD-CB 3.32Å; M96-W178 WeakPolarHBondContact SD-CB 3.47Å; M96-W178 HydrophobicContact SD-CG 4Å; N176-W178 PolarHBondContact O-N 2.73Å; N176-W178 PolarHBondContact OD1-N 3Å; N176-W178 VanDerWaalsContact OD1-N 3.16Å; W178-I180 PolarHBondContact O-N 3.41Å; W178-A181 PolarHBondContact O-N 3.39Å; W178-A182 HydrophobicContact CE3-CB 4.44Å; W178-A182 HydrophobicContact CH2-CB 4.47Å; W178-A182 HydrophobicContact CZ3-CB 4.28Å; W178-A182 VanDerWaalsContact O-CB 3.32Å; W178-A182 WeakPolarHBondContact O-CB 3.34Å; W178-A182 PolarHBondContact O-N 3.48Å
179I93.1Very high93.4Very high2 Ų241.2 Ų41.21%0.0119%0.192CC..Hα-helixtrans-62.8-44.5178.1-71.4-179.7000110.2L89 P92 P174 N176 A182 F183 L213L89-I179 HydrophobicContact CB-CD1 4.04Å; L89-I179 HydrophobicContact CD1-CG2 4.38Å; P92-I179 HydrophobicContact CB-CD1 4.21Å; P92-I179 HydrophobicContact CB-CG1 4.37Å; P92-I179 HydrophobicContact CG-CD1 4.2Å; P174-I179 HydrophobicContact CB-CD1 4.12Å; P174-I179 HydrophobicContact CB-CG2 4.34Å; P174-I179 WeakPolarHBondContact O-CB 3.42Å; P174-I179 WeakPolarHBondContact O-CD1 3.3Å; P174-I179 WeakPolarHBondContact O-CG2 3.42Å; N176-I179 WeakPolarHBondContact ND2-CD1 3.25Å; N176-I179 WeakPolarHBondContact ND2-CG1 3.36Å; N176-I179 PolarHBondContact O-N 2.85Å; N176-I179 WeakPolarHBondContact OD1-CG1 3.3Å; N176-I179 PolarHBondContact OD1-N 2.92Å; I179-A182 PolarHBondContact O-N 3.37Å; I179-F183 HydrophobicContact CG2-CD2 3.57Å; I179-F183 HydrophobicContact CG2-CE2 3.58Å; I179-F183 WeakPolarHBondContact O-CD2 3.45Å; I179-F183 PolarHBondContact O-N 3.05Å; I179-L213 HydrophobicContact CG2-CD2 4.03Å
180I91.8Very high93.2Very high1 Ų141.2 Ų41.21%0.00519%0.192CC..Hα-helixtrans-63.4-45.7177.3-70.6170.2000110.7F5 L9 C16 F19 N176 W178 A182 F183 C184 L189 L213F5-I180 HydrophobicContact CE1-CD1 4.44Å; F5-I180 HydrophobicContact CE2-CD1 3.91Å; F5-I180 HydrophobicContact CZ-CD1 3.4Å; L9-I180 HydrophobicContact CD1-CD1 3.59Å; L9-I180 HydrophobicContact CD2-CB 3.94Å; L9-I180 HydrophobicContact CD2-CD1 4.45Å; L9-I180 HydrophobicContact CD2-CG2 3.67Å; C16-I180 HydrophobicContact CB-CG2 4.17Å; F19-I180 HydrophobicContact CD1-CD1 4.44Å; N176-I180 PolarHBondContact O-N 2.86Å; W178-I180 PolarHBondContact O-N 3.41Å; I180-A182 VanDerWaalsContact C-N 3.31Å; I180-A182 PolarHBondContact O-N 3.3Å; I180-F183 PolarHBondContact O-N 3.48Å; I180-C184 WeakPolarHBondContact O-CB 3.22Å; I180-C184 PolarHBondContact O-N 3.02Å; I180-C184 PolarHBondContact O-SG 2.99Å; I180-L189 HydrophobicContact CB-CD1 4.36Å; I180-L189 HydrophobicContact CG1-CD1 4.43Å; I180-L189 HydrophobicContact CG2-CD1 3.86Å; I180-L213 HydrophobicContact CG1-CD2 3.93Å
181A90.5Very high92.9Very high37 Ų3743.9 Ų43.931%0.30621%0.208SC..Hα-helixtrans-60.1-41.1176.200000112A177 W178 C184 R185A177-A181 VanDerWaalsContact O-CB 3.24Å; A177-A181 WeakPolarHBondContact O-CB 3.35Å; A177-A181 PolarHBondContact O-N 3.42Å; W178-A181 PolarHBondContact O-N 3.39Å; A181-C184 PolarHBondContact O-N 2.87Å; A181-R185 WeakPolarHBondContact O-CB 3.47Å; A181-R185 PolarHBondContact O-N 2.89Å
182A92.5Very high92.6Very high36 Ų3648.5 Ų48.530%0.29823%0.23SC..Hα-helixtrans-63.2-47.5177.600000111.9W178 I179 I180 R185 L186W178-A182 HydrophobicContact CE3-CB 4.44Å; W178-A182 HydrophobicContact CH2-CB 4.47Å; W178-A182 HydrophobicContact CZ3-CB 4.28Å; W178-A182 VanDerWaalsContact O-CB 3.32Å; W178-A182 WeakPolarHBondContact O-CB 3.34Å; W178-A182 PolarHBondContact O-N 3.48Å; I179-A182 PolarHBondContact O-N 3.37Å; I180-A182 VanDerWaalsContact C-N 3.31Å; I180-A182 PolarHBondContact O-N 3.3Å; A182-R185 WeakPolarHBondContact O-CB 3.25Å; A182-R185 PolarHBondContact O-N 3.05Å; A182-L186 PolarHBondContact O-N 2.98Å; A182-L186 VanDerWaalsContact O-N 3.13Å
183F94.4Very high92.4Very high21 Ų2149.7 Ų49.79%0.09224%0.235CC..Hα-helixtrans-69.9-32.3176.3-77.5-65.7000113.2L89 I179 I180 R185 L186 R187 A188 L189 F211 L213 L337 F427L89-F183 HydrophobicContact CD1-CE2 3.68Å; L89-F183 HydrophobicContact CD1-CZ 3.74Å; I179-F183 HydrophobicContact CG2-CD2 3.57Å; I179-F183 HydrophobicContact CG2-CE2 3.58Å; I179-F183 WeakPolarHBondContact O-CD2 3.45Å; I179-F183 PolarHBondContact O-N 3.05Å; I180-F183 PolarHBondContact O-N 3.48Å; F183-R185 VanDerWaalsContact C-N 3.29Å; F183-R185 PolarHBondContact O-N 2.76Å; F183-L186 HydrophobicContact CD1-CD1 4.25Å; F183-L186 CarbonylContact O-C 3.54Å; F183-L186 PolarHBondContact O-N 2.87Å; F183-R187 PolarHBondContact O-N 3.08Å; F183-R187 VanDerWaalsContact O-N 3.17Å; F183-A188 HydrophobicContact CD1-CB 4.13Å; F183-A188 PolarHBondContact O-N 3.39Å; F183-L189 HydrophobicContact CB-CD1 3.79Å; F183-L189 HydrophobicContact CB-CD2 3.85Å; F183-L189 HydrophobicContact CB-CG 3.55Å; F183-L189 HydrophobicContact CG-CD2 4.37Å; F183-F211 HydrophobicContact CD1-CE1 4.33Å; F183-F211 AromaticContact CD1-CZ 3.86Å; F183-F211 HydrophobicContact CD1-CZ 3.86Å; F183-F211 HydrophobicContact CD2-CZ 4.46Å; F183-F211 HydrophobicContact CE1-CE1 4.47Å; F183-F211 AromaticContact CE1-CZ 3.94Å; F183-F211 HydrophobicContact CE1-CZ 3.94Å; F183-F211 HydrophobicContact CG-CZ 4.14Å; F183-F211 HydrophobicContact CZ-CZ 4.27Å; F183-L213 HydrophobicContact CE2-CD1 4.33Å; F183-L337 HydrophobicContact CE2-CD1 4.11Å; F183-L337 HydrophobicContact CZ-CD1 4.11Å; F183-L337 HydrophobicContact CZ-CD2 4.28Å; F183-F427 AromaticContact CE1-CE2 3.93Å; F183-F427 HydrophobicContact CE1-CE2 3.93Å; F183-F427 HydrophobicContact CE1-CZ 4.36Å
184C91.6Very high92.3Very high26 Ų2651 Ų5118%0.17624%0.242CC..Hα-helixtrans-61.2-41170.2-70.90000110.8C16 I180 A181 L186 R187C16-C184 VanDerWaalsContact CB-SG 3.58Å; C16-C184 PolarHBondContact N-SG 3.35Å; I180-C184 WeakPolarHBondContact O-CB 3.22Å; I180-C184 PolarHBondContact O-N 3.02Å; I180-C184 PolarHBondContact O-SG 2.99Å; A181-C184 PolarHBondContact O-N 2.87Å; C184-L186 VanDerWaalsContact C-N 3.27Å; C184-L186 PolarHBondContact O-N 3.45Å; C184-R187 WeakPolarHBondContact O-CA 3.14Å; C184-R187 PolarHBondContact O-N 2.78Å
185R91.1Very high92.3Very high210 Ų21058.3 Ų58.379%0.79228%0.281SS*.Hα-helixtrans-64.8-32.9177.5-174.257.8-179.1155.61.7112.5A181 A182 F183 R187A181-R185 WeakPolarHBondContact O-CB 3.47Å; A181-R185 PolarHBondContact O-N 2.89Å; A182-R185 WeakPolarHBondContact O-CB 3.25Å; A182-R185 PolarHBondContact O-N 3.05Å; F183-R185 VanDerWaalsContact C-N 3.29Å; F183-R185 PolarHBondContact O-N 2.76Å; R185-R187 PolarHBondContact O-N 2.89Å
186L91.1Very high92.4Very high95 Ų9559.8 Ų59.850%0.49729%0.291SS..THydrogen-bonded Turntrans-74.3-7.6170.6-67.6177.4000113.7A182 F183 C184 A188 F427A182-L186 PolarHBondContact O-N 2.98Å; A182-L186 VanDerWaalsContact O-N 3.13Å; F183-L186 HydrophobicContact CD1-CD1 4.25Å; F183-L186 CarbonylContact O-C 3.54Å; F183-L186 PolarHBondContact O-N 2.87Å; C184-L186 VanDerWaalsContact C-N 3.27Å; C184-L186 PolarHBondContact O-N 3.45Å; L186-A188 HydrophobicContact CB-CB 4.23Å; L186-A188 PolarHBondContact O-N 3.28Å; L186-F427 HydrophobicContact CD1-CE2 4.11Å
187R92.2Very high92.6Very high219 Ų21962.4 Ų62.483%0.82631%0.308SS*.THydrogen-bonded Turntrans56.832.2-171.9-54.6179.1175.4179-2.2112.8F183 C184 R185F183-R187 PolarHBondContact O-N 3.08Å; F183-R187 VanDerWaalsContact O-N 3.17Å; C184-R187 WeakPolarHBondContact O-CA 3.14Å; C184-R187 PolarHBondContact O-N 2.78Å; R185-R187 PolarHBondContact O-N 2.89Å
188A94.1Very high93Very high12 Ų1266.8 Ų66.810%0.09933%0.325CS..  trans-90.2-26.1-177.800000112.6F183 L186 G210 F211F183-A188 HydrophobicContact CD1-CB 4.13Å; F183-A188 PolarHBondContact O-N 3.39Å; L186-A188 HydrophobicContact CB-CB 4.23Å; L186-A188 PolarHBondContact O-N 3.28Å; A188-G210 CarbonylContact O-C 3.41Å; A188-G210 WeakPolarHBondContact O-CA 3.35Å; A188-F211 HydrophobicContact CB-CD1 4.29Å; A188-F211 HydrophobicContact CB-CE1 3.65Å; A188-F211 HydrophobicContact CB-CZ 4.43Å; A188-F211 WeakPolarHBondContact O-CD1 3.26Å; A188-F211 PolarHBondContact O-N 3.1Å
189L95.8Very high93.3Very high5 Ų564.2 Ų64.23%0.02632%0.318CS..BIsolated β-bridgetrans-88.3147.3178.7-56.1-175.3000112.5C16 I180 F183 T191 F211 L213C16-L189 HydrophobicContact CB-CB 3.74Å; C16-L189 HydrophobicContact CB-CD1 3.69Å; C16-L189 HydrophobicContact CB-CG 4.35Å; I180-L189 HydrophobicContact CB-CD1 4.36Å; I180-L189 HydrophobicContact CG1-CD1 4.43Å; I180-L189 HydrophobicContact CG2-CD1 3.86Å; F183-L189 HydrophobicContact CB-CD1 3.79Å; F183-L189 HydrophobicContact CB-CD2 3.85Å; F183-L189 HydrophobicContact CB-CG 3.55Å; F183-L189 HydrophobicContact CG-CD2 4.37Å; L189-T191 PolarHBondContact O-N 3.3Å; L189-F211 WeakPolarHBondContact CA-O 3.07Å; L189-F211 HydrophobicContact CD2-CD1 4.46Å; L189-F211 HydrophobicContact CD2-CD2 3.67Å; L189-F211 HydrophobicContact CD2-CE1 4.09Å; L189-F211 HydrophobicContact CD2-CE2 3.2Å; L189-F211 HydrophobicContact CD2-CG 4.27Å; L189-F211 HydrophobicContact CD2-CZ 3.44Å; L189-F211 VanDerWaalsContact CD2-CZ 3.44Å; L189-L213 HydrophobicContact CD2-CB 4.13Å
190C94.7Very high93.5Very high0 Ų064.1 Ų64.10%032%0.317CS..  trans-71.1119169.9-1720000111.3C16 A200 F211C16-C190 PolarHBondContact SG-O 2.88Å; C190-A200 HydrophobicContact CB-CB 4.46Å; C190-F211 PolarHBondContact N-O 2.97Å
191T93.1Very high93.7Very high56 Ų5664.4 Ų64.434%0.34432%0.32SS..  trans-110.7-10.417560.30000113.5C16 L189 F193C16-T191 HydrophobicContact CB-CG2 4.11Å; L189-T191 PolarHBondContact O-N 3.3Å; T191-F193 VanDerWaalsContact C-N 3.32Å; T191-F193 PolarHBondContact O-N 2.87Å
192Q92.7Very high94.1Very high97 Ų9763.2 Ų63.245%0.45331%0.307SS..THydrogen-bonded Turntrans-74.7-21.9-174.9-179.4172.7-1.400113.4K209Q192-K209 HydrophobicContact CB-CD 4.36Å; Q192-K209 VanDerWaalsContact OE1-CD 3.31Å
193F94.3Very high94.4Very high26 Ų2661.5 Ų61.511%0.11429%0.293CS..THydrogen-bonded Turntrans-113.629.1-174.6-64.9-72.5000112.4V18 T191 D195 T196 K199 A200 R202V18-F193 WeakPolarHBondContact CG2-O 3.46Å; T191-F193 VanDerWaalsContact C-N 3.32Å; T191-F193 PolarHBondContact O-N 2.87Å; F193-D195 PolarHBondContact O-N 2.74Å; F193-T196 CarbonylContact O-C 3.58Å; F193-T196 PolarHBondContact O-N 3.45Å; F193-K199 HydrophobicContact CD1-CB 4.36Å; F193-A200 HydrophobicContact CB-CB 3.64Å; F193-A200 HydrophobicContact CG-CB 4.49Å; F193-R202 VanDerWaalsContact CE2-NH1 3.32Å
194N92.5Very high94.6Very high32 Ų3260.5 Ų60.517%0.17129%0.289CS..THydrogen-bonded Turntrans-55.1-37.7175.7-78.2-7.2000112.5A15 H17 T196A15-N194 PolarHBondContact O-ND2 3.02Å; H17-N194 HydrophobicContact CB-CB 4.27Å; H17-N194 PolarHBondContact N-OD1 3Å; H17-N194 PolarHBondContact ND1-ND2 3.17Å; N194-T196 VanDerWaalsContact C-N 3.35Å
195D93.6Very high94.9Very high155 Ų15559.3 Ų59.383%0.82928%0.281SS*.THydrogen-bonded Turntrans-83.8-8.2179.5-57.9-42.1000113.8F193F193-D195 PolarHBondContact O-N 2.74Å
196T95.4Very high95.2Very high43 Ų4352 Ų5226%0.26426%0.262SS..  trans-140.962.7179.4450000110.1F193 N194 E198 K199F193-T196 CarbonylContact O-C 3.58Å; F193-T196 PolarHBondContact O-N 3.45Å; N194-T196 VanDerWaalsContact C-N 3.35Å; T196-E198 PolarHBondContact O-N 2.58Å; T196-E198 VanDerWaalsContact O-N 3.12Å; T196-K199 PolarHBondContact O-N 3.18Å
197P93.7Very high95.5Very high64 Ų6451.7 Ų51.742%0.41626%0.26SS..G310 helixtrans-55.2-33.6-170.522.1-34.6000113.6V18 K199 A200V18-P197 HydrophobicContact CB-CB 4.28Å; V18-P197 HydrophobicContact CG1-CB 3.56Å; V18-P197 HydrophobicContact CG2-CB 3.94Å; P197-K199 PolarHBondContact O-N 2.67Å; P197-K199 VanDerWaalsContact O-N 3.15Å; P197-A200 VanDerWaalsContact O-CB 3.3Å; P197-A200 WeakPolarHBondContact O-CB 3.41Å; P197-A200 PolarHBondContact O-N 3.03Å; P197-A200 VanDerWaalsContact O-N 3.07Å
198E94.2Very high95.7Very high113 Ų11341.9 Ų41.953%0.52822%0.223SC..G310 helixtrans-62.9-18.7178.374.2-70.5169.700113.6T196 N362T196-E198 PolarHBondContact O-N 2.58Å; T196-E198 VanDerWaalsContact O-N 3.12Å; E198-N362 PolarHBondContact O-ND2 3Å
199K96.3Very high95.8Very high98 Ų9846.8 Ų46.843%0.42624%0.242SC..G310 helixtrans-98.4-7.8178.2-54.4-175.2-176.1176.70112.7F193 T196 P197 R202F193-K199 HydrophobicContact CD1-CB 4.36Å; T196-K199 PolarHBondContact O-N 3.18Å; P197-K199 PolarHBondContact O-N 2.67Å; P197-K199 VanDerWaalsContact O-N 3.15Å; K199-R202 PolarHBondContact O-NE 2.91Å; K199-R202 PolarHBondContact O-NH2 3.19Å
200A97.1Very high95.9Very high0 Ų046.6 Ų46.60%024%0.241CC..THydrogen-bonded Turntrans-70-44.2-165.500000113.6V18 C190 F193 P197 R202 V212V18-A200 HydrophobicContact CB-CB 4.29Å; V18-A200 HydrophobicContact CG1-CB 3.76Å; V18-A200 HydrophobicContact CG2-CB 4.21Å; C190-A200 HydrophobicContact CB-CB 4.46Å; F193-A200 HydrophobicContact CB-CB 3.64Å; F193-A200 HydrophobicContact CG-CB 4.49Å; P197-A200 VanDerWaalsContact O-CB 3.3Å; P197-A200 WeakPolarHBondContact O-CB 3.41Å; P197-A200 PolarHBondContact O-N 3.03Å; P197-A200 VanDerWaalsContact O-N 3.07Å; A200-R202 PolarHBondContact O-N 3.44Å; A200-V212 HydrophobicContact CB-CG2 3.53Å
201S97.9Very high96Very high8 Ų847 Ų476%0.05624%0.243CC..  trans-82.4115.5176-162.70000109.5K330 N362S201-K330 WeakPolarHBondContact CB-O 3.48Å; S201-K330 VanDerWaalsContact OG-C 3.3Å; S201-K330 PolarHBondContact OG-O 3.22Å; S201-N362 PolarHBondContact O-ND2 2.89Å
202R98.1Very high96.2Very high12 Ų1244.8 Ų44.85%0.04523%0.229CC..  trans-147.768.1-170.957.2178.868.6-1773.9112.4F193 K199 A200 F204 D205 R208 S296 N362F193-R202 VanDerWaalsContact CE2-NH1 3.32Å; K199-R202 PolarHBondContact O-NE 2.91Å; K199-R202 PolarHBondContact O-NH2 3.19Å; A200-R202 PolarHBondContact O-N 3.44Å; R202-F204 PolarHBondContact O-N 3.35Å; R202-D205 HydrophobicContact CB-CB 3.88Å; R202-D205 HydrophobicContact CG-CB 4.09Å; R202-D205 IonicContact NH1-OD1 3.7Å; R202-D205 PolarHBondContact O-N 3.35Å; R202-R208 HydrophobicContact CG-CB 3.91Å; R202-S296 PolarHBondContact N-OG 2.76Å; R202-N362 HydrophobicContact CB-CB 3.63Å
203P98.6Very high96.4Very high0 Ų040.2 Ų40.20%021%0.208CC..THydrogen-bonded Turntrans-52.1136.9179.6-25.535.2000111.4D205 A294 S296 D301 S328 K330P203-D205 PolarHBondContact O-N 2.82Å; P203-A294 HydrophobicContact CB-CB 3.94Å; P203-S296 WeakPolarHBondContact CD-OG 3.42Å; P203-S296 VanDerWaalsContact N-OG 3.07Å; P203-D301 WeakPolarHBondContact CA-OD2 3.4Å; P203-S328 WeakPolarHBondContact CG-OG 3.28Å; P203-K330 HydrophobicContact CG-CB 4.45Å
204F98.6Very high96.6Very high0 Ų039.4 Ų39.40%021%0.205CC..THydrogen-bonded Turntrans64.9-2.1178.9-41.9-63.1000117.1R202 C292 A294 D301 L305 I326 L363 P366 I367 L402R202-F204 PolarHBondContact O-N 3.35Å; F204-C292 HydrophobicContact CE2-CB 4.5Å; F204-C292 HydrophobicContact CZ-CB 3.66Å; F204-A294 HydrophobicContact CD1-CB 4.07Å; F204-A294 HydrophobicContact CE1-CB 3.3Å; F204-A294 HydrophobicContact CE2-CB 3.91Å; F204-A294 HydrophobicContact CZ-CB 3.22Å; F204-D301 HydrophobicContact CD1-CB 4.01Å; F204-D301 HydrophobicContact CE1-CB 4.39Å; F204-D301 PolarHBondContact N-OD2 3.06Å; F204-L305 HydrophobicContact CB-CD1 4.49Å; F204-L305 HydrophobicContact CD1-CD1 3.62Å; F204-L305 HydrophobicContact CD1-CD2 3.87Å; F204-L305 HydrophobicContact CD1-CG 3.65Å; F204-L305 HydrophobicContact CE1-CD1 4.13Å; F204-L305 HydrophobicContact CE1-CD2 3.51Å; F204-L305 HydrophobicContact CE1-CG 3.64Å; F204-L305 HydrophobicContact CG-CD1 4.28Å; F204-L305 HydrophobicContact CZ-CD2 4.06Å; F204-I326 HydrophobicContact CE2-CG2 4.4Å; F204-I326 HydrophobicContact CZ-CG2 4.23Å; F204-L363 HydrophobicContact CB-CD1 4.02Å; F204-P366 CarbonylContact O-C 3.5Å; F204-I367 HydrophobicContact CB-CD1 4.34Å; F204-I367 HydrophobicContact CD1-CD1 4.33Å; F204-I367 WeakPolarHBondContact O-CG1 3.24Å; F204-I367 PolarHBondContact O-N 2.97Å; F204-L402 HydrophobicContact CB-CD2 4.1Å; F204-L402 HydrophobicContact CD2-CD2 4.12Å; F204-L402 HydrophobicContact CG-CD2 4.05Å
205D98.4Very high96.8Very high1 Ų138.2 Ų38.21%0.00520%0.199CC..BIsolated β-bridgetrans-74.9145.5177.8-170.9-96.4000111.1R202 P203 L207 R208 L363 H364 N365R202-D205 HydrophobicContact CB-CB 3.88Å; R202-D205 HydrophobicContact CG-CB 4.09Å; R202-D205 IonicContact NH1-OD1 3.7Å; R202-D205 PolarHBondContact O-N 3.35Å; P203-D205 PolarHBondContact O-N 2.82Å; D205-L207 PolarHBondContact O-N 2.88Å; D205-L207 WeakPolarHBondContact OD1-CB 3.46Å; D205-L207 PolarHBondContact OD1-N 2.94Å; D205-R208 WeakPolarHBondContact O-CB 3.34Å; D205-R208 VanDerWaalsContact O-CD 3.22Å; D205-R208 WeakPolarHBondContact O-CD 3.41Å; D205-R208 WeakPolarHBondContact O-CG 3.13Å; D205-R208 PolarHBondContact O-N 3.34Å; D205-R208 PolarHBondContact O-NH1 3.12Å; D205-L363 HydrophobicContact CB-CD1 4.15Å; D205-H364 PolarHBondContact OD2-N 2.82Å; D205-N365 CarbonylContact C-O 3.54Å; D205-N365 WeakPolarHBondContact CA-O 3.46Å; D205-N365 PolarHBondContact OD2-N 3.44Å
206S97.1Very high97Very high57 Ų5731.1 Ų31.140%0.39916%0.163SC..THydrogen-bonded Turntrans-64.7-21.7-177.670.40000112.8N365S206-N365 WeakPolarHBondContact CB-O 3.42Å; S206-N365 PolarHBondContact N-O 3.45Å; S206-N365 WeakPolarHBondContact OG-CB 3.13Å
207L97Very high97.2Very high87 Ų8730.3 Ų30.346%0.45516%0.16SC..THydrogen-bonded Turntrans-96.78.8177.4-59.6179.8000113.2D205D205-L207 PolarHBondContact O-N 2.88Å; D205-L207 WeakPolarHBondContact OD1-CB 3.46Å; D205-L207 PolarHBondContact OD1-N 2.94Å
208R97.3Very high97.4Very high14 Ų1427.7 Ų27.75%0.05314%0.144CC..  trans-59.8140.4175.976.1-168.4175.2-75-3.6111.3R202 D205 S296 T297 P298 D301 I367 E371R202-R208 HydrophobicContact CG-CB 3.91Å; D205-R208 WeakPolarHBondContact O-CB 3.34Å; D205-R208 VanDerWaalsContact O-CD 3.22Å; D205-R208 WeakPolarHBondContact O-CD 3.41Å; D205-R208 WeakPolarHBondContact O-CG 3.13Å; D205-R208 PolarHBondContact O-N 3.34Å; D205-R208 PolarHBondContact O-NH1 3.12Å; R208-S296 CarbonylContact C-O 3.11Å; R208-S296 WeakPolarHBondContact CB-O 3.39Å; R208-T297 PolarHBondContact NE-O 3.38Å; R208-P298 PolarHBondContact NH2-O 3.41Å; R208-D301 VanDerWaalsContact CD-OD2 3.3Å; R208-D301 WeakPolarHBondContact CD-OD2 3.47Å; R208-D301 IonicContact NE-OD2 3.62Å; R208-I367 VanDerWaalsContact CZ-CD1 3.47Å; R208-I367 VanDerWaalsContact CZ-CG1 3.41Å; R208-E371 IonicContact NH2-OE2 2.82Å
209K96.1Very high97.6Very high115 Ų11522.9 Ų22.950%0.512%0.124SC..  trans-151.834.9-171.9-152.3175.4-178.7177.80114.3Q192 S296Q192-K209 HydrophobicContact CB-CD 4.36Å; Q192-K209 VanDerWaalsContact OE1-CD 3.31Å; K209-S296 PolarHBondContact N-O 3Å
210G96.7Very high97.7Very high1 Ų119.7 Ų19.71%0.0111%0.112CC..SBendtrans118.4166.9-177.300000112.1A188 S296A188-G210 CarbonylContact O-C 3.41Å; A188-G210 WeakPolarHBondContact O-CA 3.35Å; G210-S296 PolarHBondContact N-O 3.12Å; G210-S296 WeakPolarHBondContact O-CB 3.35Å
211F97.6Very high97.8Very high9 Ų920.9 Ų20.94%0.03912%0.119CC..BIsolated β-bridgetrans-87.1160.8-176.269.3-97.9000112.3F183 A188 L189 C190 L213 T295 H335 L337F183-F211 HydrophobicContact CD1-CE1 4.33Å; F183-F211 AromaticContact CD1-CZ 3.86Å; F183-F211 HydrophobicContact CD1-CZ 3.86Å; F183-F211 HydrophobicContact CD2-CZ 4.46Å; F183-F211 HydrophobicContact CE1-CE1 4.47Å; F183-F211 AromaticContact CE1-CZ 3.94Å; F183-F211 HydrophobicContact CE1-CZ 3.94Å; F183-F211 HydrophobicContact CG-CZ 4.14Å; F183-F211 HydrophobicContact CZ-CZ 4.27Å; A188-F211 HydrophobicContact CB-CD1 4.29Å; A188-F211 HydrophobicContact CB-CE1 3.65Å; A188-F211 HydrophobicContact CB-CZ 4.43Å; A188-F211 WeakPolarHBondContact O-CD1 3.26Å; A188-F211 PolarHBondContact O-N 3.1Å; L189-F211 WeakPolarHBondContact CA-O 3.07Å; L189-F211 HydrophobicContact CD2-CD1 4.46Å; L189-F211 HydrophobicContact CD2-CD2 3.67Å; L189-F211 HydrophobicContact CD2-CE1 4.09Å; L189-F211 HydrophobicContact CD2-CE2 3.2Å; L189-F211 HydrophobicContact CD2-CG 4.27Å; L189-F211 HydrophobicContact CD2-CZ 3.44Å; L189-F211 VanDerWaalsContact CD2-CZ 3.44Å; C190-F211 PolarHBondContact N-O 2.97Å; F211-L213 HydrophobicContact CE2-CB 4.15Å; F211-L213 HydrophobicContact CE2-CD1 3.83Å; F211-T295 WeakPolarHBondContact CA-O 3.45Å; F211-T295 WeakPolarHBondContact CB-O 3.48Å; F211-T295 PolarHBondContact N-O 3.07Å; F211-H335 HydrophobicContact CB-CB 4.17Å; F211-H335 HydrophobicContact CD2-CB 3.9Å; F211-H335 HydrophobicContact CG-CB 4.3Å; F211-L337 HydrophobicContact CE2-CD2 4.06Å; F211-L337 HydrophobicContact CZ-CD2 4.13Å
212V98Very high97.8Very high9 Ų921.4 Ų21.46%0.05512%0.121CC..PPolyproline II helixtrans-95.7120.3167.4173.10000108V18 A200 H335V18-V212 HydrophobicContact CG1-CG1 3.84Å; V18-V212 HydrophobicContact CG1-CG2 3.92Å; A200-V212 HydrophobicContact CB-CG2 3.53Å; V212-H335 PolarHBondContact O-N 2.92Å
213L96.9Very high97.7Very high1 Ų122.6 Ų22.61%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-68.2136.1178.9-17367000109.7F19 G20 P174 L175 I179 I180 F183 L189 F211 L337F19-L213 CarbonylContact C-O 3.56Å; F19-L213 WeakPolarHBondContact CA-O 3.35Å; F19-L213 VanDerWaalsContact CB-O 3.31Å; F19-L213 WeakPolarHBondContact CB-O 3.18Å; G20-L213 PolarHBondContact N-O 2.94Å; P174-L213 HydrophobicContact CB-CD1 4.34Å; P174-L213 HydrophobicContact CB-CD2 4.41Å; P174-L213 HydrophobicContact CG-CD1 3.65Å; P174-L213 HydrophobicContact CG-CD2 4.09Å; P174-L213 HydrophobicContact CG-CG 3.89Å; L175-L213 HydrophobicContact CD2-CD2 3.97Å; L175-L213 HydrophobicContact CD2-CG 3.99Å; I179-L213 HydrophobicContact CG2-CD2 4.03Å; I180-L213 HydrophobicContact CG1-CD2 3.93Å; F183-L213 HydrophobicContact CE2-CD1 4.33Å; L189-L213 HydrophobicContact CD2-CB 4.13Å; F211-L213 HydrophobicContact CE2-CB 4.15Å; F211-L213 HydrophobicContact CE2-CD1 3.83Å; L213-L337 HydrophobicContact CD1-CD1 3.79Å; L213-L337 HydrophobicContact CD1-CD2 3.89Å; L213-L337 HydrophobicContact CD1-CG 3.82Å
214S97.2Very high97.5Very high8 Ų823.6 Ų23.66%0.05614%0.136CC..EExtended strand (participates in β ladder)trans-139.1166.9179.4-163.50000111.3G20 P174 L333 H335G20-S214 VanDerWaalsContact O-CA 3.32Å; G20-S214 WeakPolarHBondContact O-CA 3.22Å; G20-S214 PolarHBondContact O-OG 3.43Å; P174-S214 WeakPolarHBondContact CD-O 3.33Å; S214-L333 WeakPolarHBondContact CB-O 3.4Å; S214-L333 PolarHBondContact OG-O 3.37Å; S214-H335 PolarHBondContact N-O 3.3Å
215E96.9Very high97.2Very high7 Ų729.2 Ų29.23%0.03316%0.157CC..  trans-117.5156.5171.467.2-179.5148.500110.9G20 S21 I22 R55 E172 S173 L175G20-E215 PolarHBondContact O-N 3.29Å; S21-E215 VanDerWaalsContact CA-OE1 3.32Å; S21-E215 WeakPolarHBondContact CA-OE1 3.35Å; S21-E215 WeakPolarHBondContact CB-OE1 3.33Å; I22-E215 HydrophobicContact CB-CG 4.34Å; I22-E215 HydrophobicContact CD1-CG 4.13Å; I22-E215 HydrophobicContact CG1-CG 3.97Å; I22-E215 PolarHBondContact N-OE1 3.3Å; R55-E215 IonicContact CZ-OE1 2.8Å; R55-E215 IonicContact CZ-OE2 3.68Å; R55-E215 IonicContact NE-OE1 3.96Å; R55-E215 IonicContact NE-OE2 3.12Å; R55-E215 PolarHBondContact NE-OE2 2.97Å; R55-E215 VanDerWaalsContact NH2-CD 3.28Å; R55-E215 IonicContact NH2-OE1 3.51Å; R55-E215 PolarHBondContact NH2-OE1 3.39Å; R55-E215 IonicContact NH2-OE2 3.3Å; R55-E215 PolarHBondContact NH2-OE2 3.39Å; R55-E215 VanDerWaalsContact NH2-OE2 3.1Å; E172-E215 CarbonylContact O-C 3.43Å; E172-E215 WeakPolarHBondContact O-CA 3.41Å; E172-E215 VanDerWaalsContact O-CB 3.31Å; E172-E215 WeakPolarHBondContact O-CB 3.39Å; S173-E215 PolarHBondContact OG-OE2 2.9Å; L175-E215 HydrophobicContact CD1-CB 4.35Å; L175-E215 HydrophobicContact CD1-CG 4.03Å; L175-E215 HydrophobicContact CG-CB 4.42Å
216G98.2Very high96.7Very high7 Ų733.8 Ų33.87%0.07219%0.187CC..EExtended strand (participates in β ladder)trans165.9174.8178.700000112.9C171 E172 A339C171-G216 CarbonylContact C-O 3.47Å; C171-G216 WeakPolarHBondContact CA-O 3.27Å; E172-G216 PolarHBondContact N-O 3.27Å; E172-G216 PolarHBondContact O-N 3.37Å; G216-A339 VanDerWaalsContact O-CB 3.26Å; G216-A339 WeakPolarHBondContact O-CB 3.34Å
217A98.7Very high96.2Very high26 Ų2632.4 Ų32.422%0.21518%0.176CC..EExtended strand (participates in β ladder)trans-147.8156.4173.500000110.1L59 A63 A170 C171L59-A217 VanDerWaalsContact C-CB 3.47Å; L59-A217 HydrophobicContact CB-CB 3.71Å; L59-A217 WeakPolarHBondContact O-CB 3.32Å; A63-A217 HydrophobicContact CB-CB 3.98Å; A170-A217 VanDerWaalsContact O-CA 3.31Å; A170-A217 WeakPolarHBondContact O-CA 3.42Å; C171-A217 HydrophobicContact CB-CB 3.65Å
218A98.9Very high95.7Very high9 Ų931.9 Ų31.97%0.07418%0.178CC..EExtended strand (participates in β ladder)trans-146.2146168.100000109.1G169 A170 A342 I343 V346G169-A218 VanDerWaalsContact CA-O 3.28Å; G169-A218 WeakPolarHBondContact CA-O 3.38Å; A170-A218 PolarHBondContact N-O 2.64Å; A170-A218 PolarHBondContact O-N 3.45Å; A170-A218 VanDerWaalsContact O-N 3.13Å; A218-A342 HydrophobicContact CB-CB 3.91Å; A218-I343 HydrophobicContact CB-CB 4.27Å; A218-I343 HydrophobicContact CB-CG1 3.65Å; A218-V346 HydrophobicContact CB-CG2 3.97Å
219A98.9Very high94.8Very high12 Ų1234 Ų3410%0.09919%0.191CC..EExtended strand (participates in β ladder)trans-127.8145.2174.700000109.8A63 A67 F85 T168A63-A219 HydrophobicContact CB-CB 4.16Å; A67-A219 HydrophobicContact CB-CB 4.06Å; F85-A219 HydrophobicContact CE2-CB 3.98Å; T168-A219 CarbonylContact O-C 3.5Å; T168-A219 VanDerWaalsContact O-CA 3.3Å; T168-A219 WeakPolarHBondContact O-CA 3.45Å
220V98.8Very high93.9Very high30 Ų3032.1 Ų32.118%0.18219%0.192CC..EExtended strand (participates in β ladder)trans-131.4128.5176.7178.40000107.5I151 T168 L222 T345 V346I151-V220 HydrophobicContact CD1-CG2 4.18Å; T168-V220 PolarHBondContact N-O 3.09Å; T168-V220 PolarHBondContact O-N 2.9Å; T168-V220 PolarHBondContact OG1-O 2.69Å; T168-V220 VanDerWaalsContact OG1-O 3.1Å; V220-L222 HydrophobicContact CG1-CD2 3.75Å; V220-L222 HydrophobicContact CG1-CG 4.2Å; V220-T345 HydrophobicContact CG2-CG2 4.3Å; V220-V346 HydrophobicContact CG2-CG2 3.72Å
221V98.1Very high93.2Very high25 Ų2534.5 Ų34.515%0.15220%0.202CC..EExtended strand (participates in β ladder)trans-90.9107.2169.9178.20000107.5A67 F68 V71 L165A67-V221 HydrophobicContact CB-CG2 4.06Å; F68-V221 HydrophobicContact CD1-CG2 3.95Å; F68-V221 HydrophobicContact CE1-CG2 4.03Å; V71-V221 HydrophobicContact CG1-CB 4.03Å; V71-V221 HydrophobicContact CG1-CG1 4.23Å; V71-V221 HydrophobicContact CG1-CG2 4.31Å; V71-V221 HydrophobicContact CG2-CG1 4.37Å; V71-V221 HydrophobicContact CG2-CG2 4.21Å; L165-V221 HydrophobicContact CD1-CG1 3.48Å; L165-V221 VanDerWaalsContact CD1-CG1 3.48Å; L165-V221 HydrophobicContact CD2-CG1 4.21Å; L165-V221 HydrophobicContact CG-CG1 3.8Å
222L98Very high92.6Very high19 Ų1934.1 Ų34.110%0.09920%0.2CC..EExtended strand (participates in β ladder)trans-88.4137170-60.7178.4000108.5I151 F155 I158 L165 V166 T168 V220 V246I151-L222 HydrophobicContact CG2-CD1 4.11Å; I151-L222 WeakPolarHBondContact O-CD1 3.21Å; F155-L222 HydrophobicContact CB-CD1 4.24Å; I158-L222 HydrophobicContact CD1-CB 3.59Å; L165-L222 CarbonylContact C-O 3.51Å; L165-L222 VanDerWaalsContact CA-O 3.27Å; L165-L222 WeakPolarHBondContact CA-O 3.12Å; V166-L222 PolarHBondContact N-O 3.16Å; V166-L222 PolarHBondContact O-N 2.7Å; T168-L222 HydrophobicContact CG2-CD1 3.94Å; T168-L222 HydrophobicContact CG2-CG 4.44Å; V220-L222 HydrophobicContact CG1-CD2 3.75Å; V220-L222 HydrophobicContact CG1-CG 4.2Å; L222-V246 HydrophobicContact CD2-CG2 3.96Å
223Q95.1Very high92Very high38 Ų3836.6 Ų36.618%0.17822%0.215CC..EExtended strand (participates in β ladder)trans-136.4150.7174.871.1177.51400110.9D164 L232 F236D164-Q223 CarbonylContact O-C 3.4Å; D164-Q223 VanDerWaalsContact O-CA 3.28Å; D164-Q223 WeakPolarHBondContact O-CA 3.43Å; Q223-L232 HydrophobicContact CB-CD2 4.28Å; Q223-F236 VanDerWaalsContact OE1-CZ 3.23Å
224A94.5Very high91.5Very high20 Ų2042.6 Ų42.617%0.16524%0.243CC..  trans-61.6138167.500000110.3I158 D164 P228I158-A224 HydrophobicContact CG2-CB 3.85Å; D164-A224 PolarHBondContact O-N 2.86Å; A224-P228 HydrophobicContact CB-CG 4.29Å
225W92.5Very high91.2Very high118 Ų11842.2 Ų42.245%0.44724%0.241SC..SBendtrans-131.8133176.2-170.9-89000112.4P227 T239 P242 W439W225-P227 HydrophobicContact CE3-CG 4.27Å; W225-P227 HydrophobicContact CZ3-CG 4.27Å; W225-T239 HydrophobicContact CZ3-CG2 4.27Å; W225-P242 HydrophobicContact CD2-CG 4.14Å; W225-P242 HydrophobicContact CE3-CG 3.97Å; W225-P242 HydrophobicContact CZ3-CG 4.18Å; W225-W439 AromaticContact CD1-CH2 3.17Å; W225-W439 AromaticContact CD1-CZ2 3.94Å; W225-W439 AromaticContact CD1-CZ3 3.89Å; W225-W439 HydrophobicContact CD2-CH2 4.15Å; W225-W439 HydrophobicContact CD2-CZ2 4.36Å; W225-W439 AromaticContact CE2-CH2 3.71Å; W225-W439 AromaticContact CE2-CZ2 3.64Å; W225-W439 AromaticContact CG-CH2 3.83Å; W225-W439 HydrophobicContact CG-CH2 3.83Å; W225-W439 HydrophobicContact CG-CZ3 4.28Å; W225-W439 AromaticContact CZ2-CZ2 3.99Å; W225-W439 HydrophobicContact CZ2-CZ2 3.99Å; W225-W439 AromaticContact NE1-CH2 3.07Å; W225-W439 AromaticContact NE1-CZ2 3.36Å
226P88.2Confident90.8Very high97 Ų9742 Ų4263%0.6324%0.24SC*.SBendcis-62.1157.8-10.929.5-35.5000111.1
227P87.5Confident90.4Very high28 Ų2847.2 Ų47.218%0.18227%0.265CS..  trans-53.9125.9177.2-27.536.8000110.7W225 D229 L232 V233W225-P227 HydrophobicContact CE3-CG 4.27Å; W225-P227 HydrophobicContact CZ3-CG 4.27Å; P227-D229 PolarHBondContact O-N 3.49Å; P227-L232 HydrophobicContact CB-CB 4.39Å; P227-L232 HydrophobicContact CB-CD2 3.9Å; P227-L232 HydrophobicContact CB-CG 4.23Å; P227-L232 HydrophobicContact CG-CD2 4.46Å; P227-V233 HydrophobicContact CB-CG2 3.67Å; P227-V233 HydrophobicContact CG-CG2 4.23Å
228P84.8Confident89.9Confident76 Ų7651.6 Ų51.649%0.49428%0.281SS..  trans-77.1-23.4-167.428.8-34.7000113.4D164 A224D164-P228 HydrophobicContact CB-CG 4.25Å; D164-P228 WeakPolarHBondContact OD1-CG 3.28Å; A224-P228 HydrophobicContact CB-CG 4.29Å
229D79.1Confident89.2Confident59 Ų5954 Ų5432%0.31630%0.295SS..SBendtrans-143170.1-176.165.826.2000112.8P227 F231 L232P227-D229 PolarHBondContact O-N 3.49Å; D229-F231 PolarHBondContact O-N 2.85Å; D229-F231 WeakPolarHBondContact OD1-CA 3.49Å; D229-F231 WeakPolarHBondContact OD1-CB 3.37Å; D229-F231 PolarHBondContact OD1-N 3.39Å; D229-F231 VanDerWaalsContact OD1-N 3.09Å; D229-L232 PolarHBondContact OD1-N 3.27Å
230S77.3Confident88.7Confident76 Ų7654.4 Ų54.453%0.53130%0.296SS..Hα-helixtrans-67.9-25.9177.666.90000112.2V233 E234S230-V233 PolarHBondContact O-N 2.78Å; S230-E234 WeakPolarHBondContact CB-OE1 3.27Å; S230-E234 WeakPolarHBondContact O-CB 3.41Å; S230-E234 WeakPolarHBondContact O-CG 3.36Å; S230-E234 PolarHBondContact O-N 3.07Å
231F81.3Confident88.3Confident51 Ų5159.1 Ų59.122%0.22431%0.314CS..Hα-helixtrans-59.5-53.4178.5161.8-96.9000110.5N76 R80 D229 V233 E234 S235N76-F231 WeakPolarHBondContact ND2-CE2 3.48Å; R80-F231 HydrophobicContact CB-CE1 4.5Å; D229-F231 PolarHBondContact O-N 2.85Å; D229-F231 WeakPolarHBondContact OD1-CA 3.49Å; D229-F231 WeakPolarHBondContact OD1-CB 3.37Å; D229-F231 PolarHBondContact OD1-N 3.39Å; D229-F231 VanDerWaalsContact OD1-N 3.09Å; F231-V233 VanDerWaalsContact C-N 3.29Å; F231-V233 PolarHBondContact O-N 3.13Å; F231-E234 PolarHBondContact O-N 3.27Å; F231-S235 WeakPolarHBondContact CZ-OG 3.4Å; F231-S235 PolarHBondContact O-N 3.33Å; F231-S235 PolarHBondContact O-OG 2.89Å
232L86.3Confident88.2Confident0 Ų059.1 Ų59.10%032%0.315CS..Hα-helixtrans-62.5-38.8-179.1-179.260.7000111.5D164 L165 Q223 P227 D229 S235 F236D164-L232 HydrophobicContact CB-CB 4.45Å; D164-L232 HydrophobicContact CB-CD2 4Å; L165-L232 HydrophobicContact CB-CD1 3.96Å; L165-L232 HydrophobicContact CD1-CD1 4Å; Q223-L232 HydrophobicContact CB-CD2 4.28Å; P227-L232 HydrophobicContact CB-CB 4.39Å; P227-L232 HydrophobicContact CB-CD2 3.9Å; P227-L232 HydrophobicContact CB-CG 4.23Å; P227-L232 HydrophobicContact CG-CD2 4.46Å; D229-L232 PolarHBondContact OD1-N 3.27Å; L232-S235 WeakPolarHBondContact O-CB 3.41Å; L232-S235 PolarHBondContact O-N 2.91Å; L232-F236 HydrophobicContact CD1-CE2 3.61Å; L232-F236 HydrophobicContact CD1-CZ 3.9Å; L232-F236 HydrophobicContact CG-CE2 3.96Å; L232-F236 WeakPolarHBondContact O-CD2 3.39Å; L232-F236 VanDerWaalsContact O-CE2 3.26Å; L232-F236 WeakPolarHBondContact O-CE2 3.27Å
233V85.4Confident88.1Confident61 Ų6160.8 Ų60.837%0.3732%0.323SS..Hα-helixtrans-64.2-43.2176.5177.50000111.4P227 S230 F231 S235 F236P227-V233 HydrophobicContact CB-CG2 3.67Å; P227-V233 HydrophobicContact CG-CG2 4.23Å; S230-V233 PolarHBondContact O-N 2.78Å; F231-V233 VanDerWaalsContact C-N 3.29Å; F231-V233 PolarHBondContact O-N 3.13Å; V233-S235 VanDerWaalsContact C-N 3.28Å; V233-S235 PolarHBondContact O-N 2.83Å; V233-F236 PolarHBondContact O-N 3.26Å
234E86.9Confident88.3Confident127 Ų12760.1 Ų60.159%0.59332%0.324SS*.Hα-helixtrans-71.9-20.9179.3-71.8167.3-157.200112.9S230 F231 F236S230-E234 WeakPolarHBondContact CB-OE1 3.27Å; S230-E234 WeakPolarHBondContact O-CB 3.41Å; S230-E234 WeakPolarHBondContact O-CG 3.36Å; S230-E234 PolarHBondContact O-N 3.07Å; F231-E234 PolarHBondContact O-N 3.27Å; E234-F236 PolarHBondContact O-N 2.94Å
235S89Confident88.4Confident0 Ų062.6 Ų62.60%033%0.333CS..THydrogen-bonded Turntrans-68.3-10.2173.8-61.40000114.6K74 N76 F231 L232 V233K74-S235 WeakPolarHBondContact CB-O 3.24Å; K74-S235 PolarHBondContact N-O 2.69Å; N76-S235 VanDerWaalsContact ND2-CA 3.3Å; N76-S235 WeakPolarHBondContact ND2-CA 3.49Å; N76-S235 WeakPolarHBondContact ND2-CB 3.23Å; N76-S235 PolarHBondContact ND2-OG 2.86Å; N76-S235 PolarHBondContact OD1-OG 3.18Å; F231-S235 WeakPolarHBondContact CZ-OG 3.4Å; F231-S235 PolarHBondContact O-N 3.33Å; F231-S235 PolarHBondContact O-OG 2.89Å; L232-S235 WeakPolarHBondContact O-CB 3.41Å; L232-S235 PolarHBondContact O-N 2.91Å; V233-S235 VanDerWaalsContact C-N 3.28Å; V233-S235 PolarHBondContact O-N 2.83Å
236F89.9Confident88.7Confident3 Ų358.1 Ų58.11%0.01332%0.318CS..BIsolated β-bridgetrans-111.8150.9177.3-56.4-70.1000111.9V71 W73 K74 L165 Q223 L232 V233 E234 E238 P240V71-F236 HydrophobicContact CB-CD1 4.34Å; V71-F236 HydrophobicContact CB-CE1 3.95Å; V71-F236 HydrophobicContact CG2-CD1 4.33Å; V71-F236 HydrophobicContact CG2-CE1 3.85Å; V71-F236 WeakPolarHBondContact O-CD1 3.45Å; W73-F236 HydrophobicContact CE3-CD1 4.06Å; W73-F236 AromaticContact CE3-CE1 3.67Å; W73-F236 HydrophobicContact CE3-CE1 3.67Å; W73-F236 HydrophobicContact CE3-CZ 4.27Å; W73-F236 HydrophobicContact CZ3-CE1 4.23Å; W73-F236 HydrophobicContact CZ3-CZ 4.38Å; K74-F236 WeakPolarHBondContact CD-O 3.43Å; K74-F236 WeakPolarHBondContact CE-O 3.3Å; K74-F236 PolarHBondContact NZ-O 3.38Å; L165-F236 HydrophobicContact CD1-CE1 4.12Å; L165-F236 HydrophobicContact CD1-CZ 3.64Å; Q223-F236 VanDerWaalsContact OE1-CZ 3.23Å; L232-F236 HydrophobicContact CD1-CE2 3.61Å; L232-F236 HydrophobicContact CD1-CZ 3.9Å; L232-F236 HydrophobicContact CG-CE2 3.96Å; L232-F236 WeakPolarHBondContact O-CD2 3.39Å; L232-F236 VanDerWaalsContact O-CE2 3.26Å; L232-F236 WeakPolarHBondContact O-CE2 3.27Å; V233-F236 PolarHBondContact O-N 3.26Å; E234-F236 PolarHBondContact O-N 2.94Å; F236-E238 WeakPolarHBondContact CB-O 3.41Å; F236-P240 HydrophobicContact CD1-CG 4.15Å; F236-P240 HydrophobicContact CD2-CG 4.33Å; F236-P240 HydrophobicContact CE1-CG 4.05Å; F236-P240 HydrophobicContact CE2-CG 4.24Å; F236-P240 HydrophobicContact CG-CG 4.27Å; F236-P240 HydrophobicContact CZ-CG 4.09Å
237I89.3Confident89.2Confident117 Ų11754.7 Ų54.760%0.629%0.294SS*.SBendtrans-61-42.2168.4-60.3174000110.2K72 K74K72-I237 HydrophobicContact CB-CB 3.97Å; K72-I237 HydrophobicContact CB-CD1 4.33Å; K72-I237 HydrophobicContact CB-CG1 4.32Å; K72-I237 PolarHBondContact O-N 3.2Å; K74-I237 HydrophobicContact CD-CG1 4.31Å; K74-I237 VanDerWaalsContact CE-CA 3.45Å; K74-I237 HydrophobicContact CG-CG1 3.59Å
238E87.8Confident89.8Confident117 Ų11753.3 Ų53.355%0.54729%0.285SS..SBendtrans-148.2138.5176.2177.3-174.2-174.200106.6K72 F236 P240K72-E238 HydrophobicContact CD-CB 4.25Å; K72-E238 IonicContact NZ-OE2 2.65Å; K72-E238 PolarHBondContact NZ-OE2 3.35Å; F236-E238 WeakPolarHBondContact CB-O 3.41Å; E238-P240 WeakPolarHBondContact O-CD 3.19Å; E238-P240 VanDerWaalsContact O-N 3.12Å
239T84Confident90.4Very high60 Ų6050 Ų5037%0.36826%0.263SS..PPolyproline II helixtrans-57.6117.3-178.5-54.50000110.3W225 K241W225-T239 HydrophobicContact CZ3-CG2 4.27Å; T239-K241 PolarHBondContact O-N 2.63Å
240P89.1Confident91.4Very high20 Ų2047.2 Ų47.213%0.1325%0.249CC..PPolyproline II helixtrans-72133-176.929.8-35.7000110.2V71 F236 E238V71-P240 HydrophobicContact CB-CB 4.12Å; V71-P240 HydrophobicContact CB-CG 4.04Å; V71-P240 HydrophobicContact CG1-CB 4.38Å; V71-P240 HydrophobicContact CG1-CG 4.43Å; F236-P240 HydrophobicContact CD1-CG 4.15Å; F236-P240 HydrophobicContact CD2-CG 4.33Å; F236-P240 HydrophobicContact CE1-CG 4.05Å; F236-P240 HydrophobicContact CE2-CG 4.24Å; F236-P240 HydrophobicContact CG-CG 4.27Å; F236-P240 HydrophobicContact CZ-CG 4.09Å; E238-P240 WeakPolarHBondContact O-CD 3.19Å; E238-P240 VanDerWaalsContact O-N 3.12Å
241K90.4Very high92.4Very high129 Ų12948.7 Ų48.756%0.56124%0.243SC*.PPolyproline II helixtrans-69.5131.8169-177.4167.7174.51620109.2T239 D441T239-K241 PolarHBondContact O-N 2.63Å; K241-D441 WeakPolarHBondContact CE-OD1 3.46Å; K241-D441 IonicContact NZ-OD1 3.16Å; K241-D441 PolarHBondContact NZ-OD1 3.28Å; K241-D441 IonicContact NZ-OD2 2.7Å; K241-D441 PolarHBondContact NZ-OD2 3.26Å
242P95.3Very high93.2Very high25 Ų2547.3 Ų47.316%0.16224%0.24CC..PPolyproline II helixtrans-60.5143.2177.3-22.132.6000112.2W225 W439W225-P242 HydrophobicContact CD2-CG 4.14Å; W225-P242 HydrophobicContact CE3-CG 3.97Å; W225-P242 HydrophobicContact CZ3-CG 4.18Å; P242-W439 HydrophobicContact CB-CB 4.29Å; P242-W439 HydrophobicContact CB-CD2 3.59Å; P242-W439 HydrophobicContact CB-CE3 3.81Å; P242-W439 HydrophobicContact CB-CG 3.77Å; P242-W439 HydrophobicContact CG-CD2 3.73Å; P242-W439 HydrophobicContact CG-CE3 3.97Å; P242-W439 HydrophobicContact CG-CG 4.27Å; P242-W439 HydrophobicContact CG-CH2 4.44Å; P242-W439 HydrophobicContact CG-CZ2 4.15Å; P242-W439 HydrophobicContact CG-CZ3 4.32Å
243I96.9Very high93.7Very high54 Ų5449.2 Ų49.228%0.27726%0.259SS..SBendtrans-80-42.9174.7-60168.7000109.9A349 N353I243-A349 HydrophobicContact CG2-CB 4.41Å; I243-N353 HydrophobicContact CG2-CB 3.76Å; I243-N353 PolarHBondContact O-ND2 3.38Å
244A98.1Very high94.2Very high24 Ų2447 Ų4720%0.19825%0.245CC..EExtended strand (participates in β ladder)trans-157.4168.3-176.600000109.7A349 V352 I436 S437A244-A349 HydrophobicContact CB-CB 3.97Å; A244-V352 HydrophobicContact CB-CG2 3.65Å; A244-I436 HydrophobicContact CB-CG2 3.54Å; A244-S437 CarbonylContact C-O 3.47Å; A244-S437 WeakPolarHBondContact CA-O 3.38Å; A244-S437 WeakPolarHBondContact CB-O 3.47Å
245E98.3Very high94.6Very high73 Ų7346 Ų4634%0.34126%0.259SS..EExtended strand (participates in β ladder)trans-113.9132177.3-173.6-174-176.300110.2I247 R417 I436 S437 W439E245-I247 HydrophobicContact CB-CG2 4.16Å; E245-I247 VanDerWaalsContact CD-CG2 3.46Å; E245-I247 HydrophobicContact CG-CG2 3.69Å; E245-I247 PolarHBondContact O-N 2.89Å; E245-R417 IonicContact OE2-CZ 3.24Å; E245-R417 IonicContact OE2-NH1 2.88Å; E245-R417 PolarHBondContact OE2-NH1 3.5Å; E245-R417 IonicContact OE2-NH2 3.53Å; E245-R417 PolarHBondContact OE2-NH2 3.08Å; E245-I436 CarbonylContact O-C 3.58Å; E245-I436 VanDerWaalsContact O-CA 3.29Å; E245-I436 WeakPolarHBondContact O-CA 3.44Å; E245-S437 PolarHBondContact N-O 3.11Å; E245-S437 PolarHBondContact O-N 3.32Å; E245-W439 HydrophobicContact CB-CE3 4.39Å
246V98.7Very high94.7Very high23 Ų2351.1 Ų51.114%0.13928%0.283CS..EExtended strand (participates in β ladder)trans-81.5113.8165.3177.70000107.8F155 L222 L434F155-V246 HydrophobicContact CB-CG1 4.28Å; F155-V246 HydrophobicContact CD1-CG1 4Å; F155-V246 HydrophobicContact CD2-CB 4.07Å; F155-V246 HydrophobicContact CD2-CG1 3.8Å; F155-V246 HydrophobicContact CE1-CG1 4.18Å; F155-V246 HydrophobicContact CE2-CB 4.24Å; F155-V246 HydrophobicContact CE2-CG1 4Å; F155-V246 VanDerWaalsContact CE2-O 3.27Å; F155-V246 WeakPolarHBondContact CE2-O 3.4Å; F155-V246 HydrophobicContact CG-CB 4.48Å; F155-V246 HydrophobicContact CG-CG1 3.78Å; F155-V246 HydrophobicContact CZ-CG1 4.16Å; L222-V246 HydrophobicContact CD2-CG2 3.96Å; V246-L434 HydrophobicContact CG1-CD1 3.58Å; V246-L434 HydrophobicContact CG1-CD2 4.38Å; V246-L434 HydrophobicContact CG1-CG 4.03Å; V246-L434 HydrophobicContact CG2-CD2 4.2Å
247I98.3Very high94.8Very high25 Ų2555.8 Ų55.813%0.12830%0.304CS..EExtended strand (participates in β ladder)trans-105.2-18.9-17660.8167.6000113E245 S279 L281 I419 L435E245-I247 HydrophobicContact CB-CG2 4.16Å; E245-I247 VanDerWaalsContact CD-CG2 3.46Å; E245-I247 HydrophobicContact CG-CG2 3.69Å; E245-I247 PolarHBondContact O-N 2.89Å; I247-S279 WeakPolarHBondContact O-CA 3.42Å; I247-L281 HydrophobicContact CD1-CD1 4.16Å; I247-L281 HydrophobicContact CD1-CD2 4.45Å; I247-L281 HydrophobicContact CD1-CG 4.38Å; I247-I419 HydrophobicContact CD1-CD1 4.22Å; I247-I419 HydrophobicContact CD1-CG2 4.05Å; I247-L435 HydrophobicContact CD1-CB 4.22Å; I247-L435 HydrophobicContact CG1-CB 3.66Å; I247-L435 PolarHBondContact N-O 2.82Å
248G98.8Very high94.8Very high0 Ų057 Ų570%031%0.311CS..EExtended strand (participates in β ladder)trans-159.4146.8179.900000113.4D278 L434 L435G248-D278 WeakPolarHBondContact CA-OD2 3.3Å; G248-L434 CarbonylContact O-C 3.58Å; G248-L434 WeakPolarHBondContact O-CA 3.48Å; G248-L435 PolarHBondContact N-O 3.36Å; G248-L435 PolarHBondContact O-N 3.3Å
249F98.9Very high94.9Very high5 Ų554.2 Ų54.22%0.02230%0.302CS..EExtended strand (participates in β ladder)trans-138.8124.4178.4172.9-133.2000111.4L148 G152 F155 R156 R251 D278 T433 L434L148-F249 HydrophobicContact CD2-CD2 4.28Å; L148-F249 HydrophobicContact CD2-CE2 3.82Å; G152-F249 VanDerWaalsContact C-CE1 3.45Å; G152-F249 VanDerWaalsContact CA-CE1 3.46Å; F155-F249 HydrophobicContact CD1-CB 3.92Å; F155-F249 HydrophobicContact CE1-CB 4.23Å; R156-F249 HydrophobicContact CG-CD1 4.24Å; R156-F249 PolarHBondContact NH2-O 3.49Å; F249-R251 HydrophobicContact CE1-CG 4.07Å; F249-R251 HydrophobicContact CE2-CG 3.63Å; F249-R251 HydrophobicContact CZ-CG 3.36Å; F249-D278 PolarHBondContact N-OD2 2.82Å; F249-T433 WeakPolarHBondContact CD2-O 3.1Å; F249-L434 HydrophobicContact CB-CD1 3.96Å; F249-L434 HydrophobicContact CD2-CD1 4.06Å; F249-L434 HydrophobicContact CG-CD1 4.33Å
250G98.8Very high95.2Very high2 Ų252.7 Ų52.72%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-125.2148.618000000112.4S271 G432 T433G250-S271 WeakPolarHBondContact CA-O 3.19Å; G250-G432 WeakPolarHBondContact O-CA 3.13Å; G250-T433 PolarHBondContact N-O 3.09Å; G250-T433 PolarHBondContact O-N 3.02Å
251R98.6Very high95.4Very high106 Ų10653.6 Ų53.640%0.430%0.301SS..EExtended strand (participates in β ladder)trans-140.6157.4175.3-65.6-178.6-79.5-165.8-11111E153 F249 N274 N431E153-R251 IonicContact OE1-CZ 2.66Å; E153-R251 IonicContact OE1-NE 2.84Å; E153-R251 IonicContact OE1-NH1 3.03Å; E153-R251 PolarHBondContact OE1-NH1 3.21Å; E153-R251 IonicContact OE1-NH2 2.74Å; E153-R251 PolarHBondContact OE1-NH2 3.47Å; F249-R251 HydrophobicContact CE1-CG 4.07Å; F249-R251 HydrophobicContact CE2-CG 3.63Å; F249-R251 HydrophobicContact CZ-CG 3.36Å; R251-N274 PolarHBondContact O-ND2 3.33Å; R251-N431 VanDerWaalsContact CA-O 3.27Å; R251-N431 WeakPolarHBondContact CA-O 3.26Å
252S98.6Very high95.5Very high23 Ų2348.5 Ų48.516%0.16128%0.28CS..EExtended strand (participates in β ladder)trans-154.3167.2169.576.60000110.3G267 N431S252-G267 VanDerWaalsContact OG-C 3.26Å; S252-G267 PolarHBondContact OG-O 2.84Å; S252-N431 PolarHBondContact N-O 2.79Å; S252-N431 VanDerWaalsContact N-O 3.17Å; S252-N431 PolarHBondContact O-N 3.26Å; S252-N431 WeakPolarHBondContact OG-CB 3.44Å; S252-N431 PolarHBondContact OG-ND2 3.13Å
253G97.5Very high95.3Very high40 Ų4050.5 Ų50.541%0.41229%0.292SS..EExtended strand (participates in β ladder)trans-119.3142166.900000110.4R270 G429G253-R270 PolarHBondContact O-NH2 3.1Å; G253-G429 CarbonylContact C-O 3.48Å; G253-G429 WeakPolarHBondContact CA-O 3.25Å
254D96.2Very high94.9Very high13 Ų1349.6 Ų49.67%0.0729%0.289CS..  trans-73.1-39.2178.8-71.1-5.4000111.9H256 P261 D262 G267 G429 N431D254-H256 HydrophobicContact CB-CB 4Å; D254-H256 PolarHBondContact O-N 3Å; D254-P261 WeakPolarHBondContact OD2-CA 3.27Å; D254-D262 HydrophobicContact CB-CB 4.03Å; D254-D262 PolarHBondContact OD2-N 3.02Å; D254-G267 VanDerWaalsContact OD1-CA 3.32Å; D254-G267 WeakPolarHBondContact OD1-CA 3.29Å; D254-G429 PolarHBondContact N-O 3.41Å; D254-N431 PolarHBondContact OD1-ND2 3.23Å
255A94.5Very high94.6Very high107 Ų10748.5 Ų48.588%0.88428%0.28SS*.  trans51.339.3-169.100000112.8
256H91.1Very high94.4Very high108 Ų10847.6 Ų47.650%0.528%0.278SS..SBendtrans-118-84.2-171.9-177.867.4000113.1D254 D262D254-H256 HydrophobicContact CB-CB 4Å; D254-H256 PolarHBondContact O-N 3Å; H256-D262 HydrophobicContact CB-CB 4.14Å
257H90.8Very high94.3Very high101 Ų10146.5 Ų46.547%0.46827%0.271SS..  trans-126.6150.8-177-172.9-96.9000110.2V259 A260H257-V259 VanDerWaalsContact C-N 3.33Å; H257-V259 PolarHBondContact ND1-N 3.48Å; H257-V259 PolarHBondContact O-N 3.18Å; H257-A260 HydrophobicContact CB-CB 4.04Å; H257-A260 WeakPolarHBondContact ND1-CB 3.33Å; H257-A260 PolarHBondContact ND1-N 3.47Å; H257-A260 VanDerWaalsContact ND1-N 3.12Å
258L89.7Confident94.2Very high141 Ų14145.5 Ų45.574%0.73827%0.267SS*.SBendtrans-65.6-33.5-173.3-69.7175.5000113.5G428L258-G428 PolarHBondContact O-N 2.86Å
259V89.8Confident94.1Very high60 Ų6045.9 Ų45.936%0.36427%0.269SS..SBendtrans-128.1-8.3-175.7-60.50000114H257 F427H257-V259 VanDerWaalsContact C-N 3.33Å; H257-V259 PolarHBondContact ND1-N 3.48Å; H257-V259 PolarHBondContact O-N 3.18Å; V259-F427 HydrophobicContact CB-CD1 4.28Å; V259-F427 HydrophobicContact CB-CD2 4.2Å; V259-F427 HydrophobicContact CB-CE1 4.16Å; V259-F427 HydrophobicContact CB-CE2 4.07Å; V259-F427 HydrophobicContact CB-CG 4.31Å; V259-F427 HydrophobicContact CB-CZ 4.05Å; V259-F427 HydrophobicContact CG1-CD2 3.73Å; V259-F427 HydrophobicContact CG1-CE2 3.81Å; V259-F427 HydrophobicContact CG1-CG 4.18Å; V259-F427 HydrophobicContact CG1-CZ 4.31Å; V259-F427 WeakPolarHBondContact O-CE1 3.42Å
260A91.9Very high94.1Very high28 Ų2850.2 Ų50.223%0.23129%0.285CS..SBendtrans-109.3140.2179.100000107.7H257H257-A260 HydrophobicContact CB-CB 4.04Å; H257-A260 WeakPolarHBondContact ND1-CB 3.33Å; H257-A260 PolarHBondContact ND1-N 3.47Å; H257-A260 VanDerWaalsContact ND1-N 3.12Å
261P93.1Very high94.1Very high39 Ų3950.1 Ų50.125%0.25328%0.284SS..  trans-65.8160.6174.731.5-36000110.1D254 T263 I299 T303D254-P261 WeakPolarHBondContact OD2-CA 3.27Å; P261-T263 PolarHBondContact O-N 3.27Å; P261-T263 VanDerWaalsContact O-N 3.08Å; P261-I299 HydrophobicContact CG-CG2 3.95Å; P261-T303 HydrophobicContact CB-CG2 4.26Å; P261-T303 HydrophobicContact CG-CG2 4.33Å
262D92.4Very high94.1Very high21 Ų2145.1 Ų45.111%0.11227%0.265CS..  trans-53.4114.8163180-9.9000109.6D254 H256 T264 G265 T303D254-D262 HydrophobicContact CB-CB 4.03Å; D254-D262 PolarHBondContact OD2-N 3.02Å; H256-D262 HydrophobicContact CB-CB 4.14Å; D262-T264 PolarHBondContact O-N 3.47Å; D262-T264 WeakPolarHBondContact OD1-CB 3.38Å; D262-T264 WeakPolarHBondContact OD1-CG2 3.47Å; D262-T264 PolarHBondContact OD1-N 3.12Å; D262-T264 PolarHBondContact OD1-OG1 2.85Å; D262-T264 PolarHBondContact OD2-OG1 2.96Å; D262-G265 PolarHBondContact O-N 3.23Å; D262-T303 WeakPolarHBondContact O-CG2 3.41Å
263T90Very high94Very high67 Ų6744.7 Ų44.741%0.41126%0.261SS..THydrogen-bonded Turntrans-60.8-22.4-174.154.40000112.9P261 G265 I299 V375P261-T263 PolarHBondContact O-N 3.27Å; P261-T263 VanDerWaalsContact O-N 3.08Å; T263-G265 PolarHBondContact O-N 3.2Å; T263-I299 HydrophobicContact CG2-CG2 4.48Å; T263-V375 VanDerWaalsContact O-CG1 3.26Å; T263-V375 WeakPolarHBondContact O-CG1 3.14Å
264T89.2Confident94.1Very high35 Ų3546.1 Ų46.122%0.21526%0.259CS..THydrogen-bonded Turntrans-73.3-17.2176.168.90000113.4D262 N266 Q310 N379D262-T264 PolarHBondContact O-N 3.47Å; D262-T264 WeakPolarHBondContact OD1-CB 3.38Å; D262-T264 WeakPolarHBondContact OD1-CG2 3.47Å; D262-T264 PolarHBondContact OD1-N 3.12Å; D262-T264 PolarHBondContact OD1-OG1 2.85Å; D262-T264 PolarHBondContact OD2-OG1 2.96Å; T264-N266 PolarHBondContact O-N 3.34Å; T264-N266 VanDerWaalsContact OG1-CB 3.28Å; T264-N266 WeakPolarHBondContact OG1-CB 3.4Å; T264-N266 PolarHBondContact OG1-N 3.01Å; T264-Q310 PolarHBondContact O-NE2 3.36Å; T264-N379 WeakPolarHBondContact CA-OD1 3.44Å; T264-N379 WeakPolarHBondContact CB-OD1 3.4Å; T264-N379 WeakPolarHBondContact CG2-OD1 3.21Å; T264-N379 PolarHBondContact O-ND2 3.49Å
265G91.4Very high94.2Very high1 Ų145.5 Ų45.51%0.0126%0.256CS..  trans75.47.6-17200000114D262 T263 G267 A268 L269D262-G265 PolarHBondContact O-N 3.23Å; T263-G265 PolarHBondContact O-N 3.2Å; G265-G267 VanDerWaalsContact C-N 3.33Å; G265-G267 PolarHBondContact O-N 3.39Å; G265-A268 PolarHBondContact O-N 3.48Å; G265-L269 WeakPolarHBondContact O-CB 3.27Å; G265-L269 PolarHBondContact O-N 2.56Å
266N93.7Very high94.4Very high54 Ų5441 Ų4129%0.28922%0.216SC..Hα-helixtrans-62.9-38-173.2-166.5-94.2000113T264 L269 R270T264-N266 PolarHBondContact O-N 3.34Å; T264-N266 VanDerWaalsContact OG1-CB 3.28Å; T264-N266 WeakPolarHBondContact OG1-CB 3.4Å; T264-N266 PolarHBondContact OG1-N 3.01Å; N266-L269 PolarHBondContact O-N 2.68Å; N266-R270 WeakPolarHBondContact O-CB 3.1Å; N266-R270 VanDerWaalsContact O-CG 3.3Å; N266-R270 WeakPolarHBondContact O-CG 3.14Å; N266-R270 PolarHBondContact O-N 3.23Å; N266-R270 WeakPolarHBondContact OD1-CD 3.43Å; N266-R270 PolarHBondContact OD1-NE 3.19Å; N266-R270 PolarHBondContact OD1-NH1 2.93Å
267G96.1Very high94.7Very high0 Ų041.5 Ų41.50%022%0.217CC..Hα-helixtrans-59.4-53.9173.900000112.9S252 D254 G265 L269 R270 S271S252-G267 VanDerWaalsContact OG-C 3.26Å; S252-G267 PolarHBondContact OG-O 2.84Å; D254-G267 VanDerWaalsContact OD1-CA 3.32Å; D254-G267 WeakPolarHBondContact OD1-CA 3.29Å; G265-G267 VanDerWaalsContact C-N 3.33Å; G265-G267 PolarHBondContact O-N 3.39Å; G267-L269 VanDerWaalsContact C-N 3.33Å; G267-L269 PolarHBondContact O-N 2.97Å; G267-R270 PolarHBondContact O-N 3.34Å; G267-S271 PolarHBondContact O-N 3.31Å; G267-S271 PolarHBondContact O-OG 3.32Å
268A97.4Very high95.1Very high5 Ų539 Ų394%0.04121%0.207CC..Hα-helixtrans-55.5-47.6175.500000111.5G265 R270 S271 M272 A307 F425G265-A268 PolarHBondContact O-N 3.48Å; A268-R270 PolarHBondContact O-N 3.43Å; A268-S271 PolarHBondContact O-N 3Å; A268-S271 PolarHBondContact O-OG 3.24Å; A268-M272 PolarHBondContact O-N 3.04Å; A268-A307 HydrophobicContact CB-CB 3.86Å; A268-F425 HydrophobicContact CB-CE1 4.13Å; A268-F425 HydrophobicContact CB-CE2 3.84Å; A268-F425 HydrophobicContact CB-CZ 3.59Å
269L97Very high95.5Very high7 Ų733 Ų334%0.03718%0.177CC..Hα-helixtrans-53.6-53.6175.4174.361000111.4G265 N266 G267 S271 M272 L273 A307 Q310 I311G265-L269 WeakPolarHBondContact O-CB 3.27Å; G265-L269 PolarHBondContact O-N 2.56Å; N266-L269 PolarHBondContact O-N 2.68Å; G267-L269 VanDerWaalsContact C-N 3.33Å; G267-L269 PolarHBondContact O-N 2.97Å; L269-S271 VanDerWaalsContact C-N 3.31Å; L269-S271 PolarHBondContact O-N 2.86Å; L269-M272 PolarHBondContact O-N 2.77Å; L269-L273 HydrophobicContact CD1-CD1 3.85Å; L269-L273 HydrophobicContact CD1-CD2 4.44Å; L269-L273 HydrophobicContact CD1-CG 3.92Å; L269-L273 HydrophobicContact CG-CD1 4Å; L269-L273 HydrophobicContact CG-CG 4.38Å; L269-L273 WeakPolarHBondContact O-CG 3.25Å; L269-L273 PolarHBondContact O-N 2.79Å; L269-A307 HydrophobicContact CB-CB 4.16Å; L269-Q310 HydrophobicContact CD1-CB 4.16Å; L269-Q310 HydrophobicContact CD2-CB 4.15Å; L269-I311 HydrophobicContact CD1-CB 4.49Å; L269-I311 HydrophobicContact CD1-CD1 3.91Å; L269-I311 HydrophobicContact CD1-CG1 3.22Å
270R97.9Very high95.8Very high96 Ų9638.9 Ų38.936%0.36220%0.198SC..Hα-helixtrans-60.6-38.7179.5-71.3-173.7-51.8-127.12.4112.4G253 N266 G267 A268 L273 N274G253-R270 PolarHBondContact O-NH2 3.1Å; N266-R270 WeakPolarHBondContact O-CB 3.1Å; N266-R270 VanDerWaalsContact O-CG 3.3Å; N266-R270 WeakPolarHBondContact O-CG 3.14Å; N266-R270 PolarHBondContact O-N 3.23Å; N266-R270 WeakPolarHBondContact OD1-CD 3.43Å; N266-R270 PolarHBondContact OD1-NE 3.19Å; N266-R270 PolarHBondContact OD1-NH1 2.93Å; G267-R270 PolarHBondContact O-N 3.34Å; A268-R270 PolarHBondContact O-N 3.43Å; R270-L273 PolarHBondContact O-N 2.77Å; R270-N274 VanDerWaalsContact O-CB 3.28Å; R270-N274 WeakPolarHBondContact O-CB 3.48Å; R270-N274 PolarHBondContact O-N 2.84Å; R270-N274 PolarHBondContact O-ND2 2.94Å; R270-N274 PolarHBondContact O-OD1 3.1Å
271S98.8Very high95.9Very high0 Ų038.9 Ų38.90%019%0.194CC..Hα-helixtrans-64-43.5177.9580000112G250 G267 A268 L269 N274 A275 T433G250-S271 WeakPolarHBondContact CA-O 3.19Å; G267-S271 PolarHBondContact O-N 3.31Å; G267-S271 PolarHBondContact O-OG 3.32Å; A268-S271 PolarHBondContact O-N 3Å; A268-S271 PolarHBondContact O-OG 3.24Å; L269-S271 VanDerWaalsContact C-N 3.31Å; L269-S271 PolarHBondContact O-N 2.86Å; S271-N274 PolarHBondContact O-N 3.35Å; S271-A275 PolarHBondContact O-N 2.86Å; S271-A275 VanDerWaalsContact O-N 3.11Å; S271-T433 PolarHBondContact OG-OG1 3.27Å
272M98.7Very high95.6Very high1 Ų144.7 Ų44.71%0.00522%0.217CC..Hα-helixtrans-65.7-43.9176.2-71.3-171.8-71.500112.2A268 L269 N274 A275 F276 A307 I308 I311 M421 N423 T433A268-M272 PolarHBondContact O-N 3.04Å; L269-M272 PolarHBondContact O-N 2.77Å; M272-N274 VanDerWaalsContact C-N 3.34Å; M272-N274 PolarHBondContact O-N 2.83Å; M272-A275 PolarHBondContact O-N 2.89Å; M272-F276 WeakPolarHBondContact O-CB 3.23Å; M272-F276 PolarHBondContact O-N 3.45Å; M272-A307 HydrophobicContact CE-CB 3.64Å; M272-I308 HydrophobicContact CE-CG1 3.96Å; M272-I308 HydrophobicContact SD-CG1 3.97Å; M272-I311 HydrophobicContact CB-CD1 3.31Å; M272-I311 HydrophobicContact CE-CD1 3.5Å; M272-I311 VanDerWaalsContact CE-CD1 3.5Å; M272-I311 HydrophobicContact CE-CG1 4.37Å; M272-I311 HydrophobicContact CG-CD1 4.1Å; M272-I311 HydrophobicContact SD-CD1 3.76Å; M272-M421 HydrophobicContact CB-CE 3.95Å; M272-M421 HydrophobicContact CB-SD 3.76Å; M272-M421 HydrophobicContact CG-CE 4.37Å; M272-M421 HydrophobicContact CG-SD 3.54Å; M272-M421 VanDerWaalsContact CG-SD 3.54Å; M272-M421 HydrophobicContact SD-SD 3.63Å; M272-M421 VanDerWaalsContact SD-SD 3.63Å; M272-N423 WeakPolarHBondContact CG-OD1 3.47Å; M272-N423 PolarHBondContact SD-ND2 3.45Å; M272-N423 VanDerWaalsContact SD-ND2 3.38Å; M272-T433 HydrophobicContact CG-CG2 4.13Å; M272-T433 WeakPolarHBondContact CG-OG1 3.18Å; M272-T433 PolarHBondContact N-OG1 2.96Å
273L97.8Very high95.5Very high15 Ų1546 Ų468%0.07922%0.223CC..Hα-helixtrans-64.7-36.9176.8-68.3-176.1000112.7L269 R270 F276 K277 I311 Y315L269-L273 HydrophobicContact CD1-CD1 3.85Å; L269-L273 HydrophobicContact CD1-CD2 4.44Å; L269-L273 HydrophobicContact CD1-CG 3.92Å; L269-L273 HydrophobicContact CG-CD1 4Å; L269-L273 HydrophobicContact CG-CG 4.38Å; L269-L273 WeakPolarHBondContact O-CG 3.25Å; L269-L273 PolarHBondContact O-N 2.79Å; R270-L273 PolarHBondContact O-N 2.77Å; L273-F276 PolarHBondContact O-N 2.87Å; L273-K277 WeakPolarHBondContact O-CB 3.37Å; L273-K277 VanDerWaalsContact O-CG 3.24Å; L273-K277 WeakPolarHBondContact O-CG 3.5Å; L273-K277 PolarHBondContact O-N 3.29Å; L273-I311 HydrophobicContact CD2-CD1 4.17Å; L273-I311 HydrophobicContact CD2-CG1 4.02Å; L273-I311 HydrophobicContact CD2-CG2 4.43Å; L273-I311 HydrophobicContact CG-CD1 4.49Å; L273-I311 HydrophobicContact CG-CG1 4.48Å; L273-Y315 HydrophobicContact CD1-CE2 3.95Å; L273-Y315 HydrophobicContact CD2-CD2 3.42Å; L273-Y315 VanDerWaalsContact CD2-CD2 3.42Å; L273-Y315 HydrophobicContact CD2-CE2 3.19Å; L273-Y315 HydrophobicContact CD2-CG 4.45Å; L273-Y315 HydrophobicContact CG-CE2 4.19Å
274N98.7Very high95.5Very high69 Ų6942.9 Ų42.937%0.36920%0.203SC..Hα-helixtrans-65-41.5175.6-72.7-15.6000111R251 R270 S271 M272 D278R251-N274 PolarHBondContact O-ND2 3.33Å; R270-N274 VanDerWaalsContact O-CB 3.28Å; R270-N274 WeakPolarHBondContact O-CB 3.48Å; R270-N274 PolarHBondContact O-N 2.84Å; R270-N274 PolarHBondContact O-ND2 2.94Å; R270-N274 PolarHBondContact O-OD1 3.1Å; S271-N274 PolarHBondContact O-N 3.35Å; M272-N274 VanDerWaalsContact C-N 3.34Å; M272-N274 PolarHBondContact O-N 2.83Å; N274-D278 VanDerWaalsContact O-CB 3.28Å; N274-D278 WeakPolarHBondContact O-CB 3.46Å; N274-D278 PolarHBondContact O-N 3.19Å
275A98.9Very high95.6Very high0 Ų041.4 Ų41.40%020%0.195CC..Hα-helixtrans-66.8-42.7176.400000111.9S271 M272 D278 S279 T433 L435S271-A275 PolarHBondContact O-N 2.86Å; S271-A275 VanDerWaalsContact O-N 3.11Å; M272-A275 PolarHBondContact O-N 2.89Å; A275-D278 PolarHBondContact O-N 2.81Å; A275-S279 PolarHBondContact O-N 2.9Å; A275-T433 HydrophobicContact CB-CG2 3.64Å; A275-L435 HydrophobicContact CB-CG 4.34Å
276F98Very high95.6Very high12 Ų1244.8 Ų44.85%0.05321%0.21CC..Hα-helixtrans-60.6-48.1176.2179.3-110.2000111.7M272 L273 D278 S279 L281 F284 I287 Y315 M421M272-F276 WeakPolarHBondContact O-CB 3.23Å; M272-F276 PolarHBondContact O-N 3.45Å; L273-F276 PolarHBondContact O-N 2.87Å; F276-D278 PolarHBondContact O-N 3.46Å; F276-S279 PolarHBondContact O-N 3.29Å; F276-S279 PolarHBondContact O-OG 3.43Å; F276-L281 HydrophobicContact CD2-CB 4.13Å; F276-L281 HydrophobicContact CD2-CD1 4.4Å; F276-L281 HydrophobicContact CE2-CB 3.59Å; F276-L281 HydrophobicContact CE2-CD1 4.37Å; F276-L281 HydrophobicContact CZ-CB 4.28Å; F276-F284 HydrophobicContact CD2-CD2 4.24Å; F276-F284 HydrophobicContact CE2-CB 4.44Å; F276-F284 HydrophobicContact CE2-CD2 4.43Å; F276-F284 HydrophobicContact CZ-CB 4.48Å; F276-I287 HydrophobicContact CD2-CD1 3.99Å; F276-Y315 HydrophobicContact CE1-CD1 4.12Å; F276-Y315 HydrophobicContact CE1-CG 4.45Å; F276-M421 HydrophobicContact CB-CE 4.42Å
277K97.7Very high95.7Very high120 Ų12042.2 Ų42.252%0.52220%0.196SC..Hα-helixtrans-61.7-43.6176.6-72.8170.1-174.4174.50112.5L273 S279 K280L273-K277 WeakPolarHBondContact O-CB 3.37Å; L273-K277 VanDerWaalsContact O-CG 3.24Å; L273-K277 WeakPolarHBondContact O-CG 3.5Å; L273-K277 PolarHBondContact O-N 3.29Å; K277-S279 PolarHBondContact O-N 3.16Å; K277-K280 PolarHBondContact O-N 2.93Å; K277-K280 VanDerWaalsContact O-N 3.16Å
278D98.7Very high95.6Very high47 Ų4742.2 Ų42.225%0.25120%0.196SC..Hα-helixtrans-60.9-33.8178.5-173.459.9000112.3R156 G248 F249 N274 A275 F276 K280R156-D278 IonicContact CZ-OD1 2.61Å; R156-D278 IonicContact CZ-OD2 2.56Å; R156-D278 IonicContact NH1-OD1 2.76Å; R156-D278 PolarHBondContact NH1-OD1 3.24Å; R156-D278 IonicContact NH1-OD2 2.93Å; R156-D278 PolarHBondContact NH1-OD2 3.44Å; R156-D278 VanDerWaalsContact NH1-OD2 3.16Å; R156-D278 IonicContact NH2-OD1 3.08Å; R156-D278 PolarHBondContact NH2-OD1 3.25Å; R156-D278 IonicContact NH2-OD2 2.93Å; R156-D278 PolarHBondContact NH2-OD2 3.46Å; G248-D278 WeakPolarHBondContact CA-OD2 3.3Å; F249-D278 PolarHBondContact N-OD2 2.82Å; N274-D278 VanDerWaalsContact O-CB 3.28Å; N274-D278 WeakPolarHBondContact O-CB 3.46Å; N274-D278 PolarHBondContact O-N 3.19Å; A275-D278 PolarHBondContact O-N 2.81Å; F276-D278 PolarHBondContact O-N 3.46Å; D278-K280 VanDerWaalsContact C-N 3.25Å; D278-K280 PolarHBondContact O-N 3.19Å
279S97.9Very high95.6Very high17 Ų1742 Ų4212%0.11919%0.194CC..THydrogen-bonded Turntrans-72.2-13177.773.70000116I247 A275 F276 K277 L281 L435I247-S279 WeakPolarHBondContact O-CA 3.42Å; A275-S279 PolarHBondContact O-N 2.9Å; F276-S279 PolarHBondContact O-N 3.29Å; F276-S279 PolarHBondContact O-OG 3.43Å; K277-S279 PolarHBondContact O-N 3.16Å; S279-L281 PolarHBondContact O-N 2.79Å; S279-L281 VanDerWaalsContact O-N 3.07Å; S279-L281 VanDerWaalsContact OG-CG 3.26Å; S279-L281 WeakPolarHBondContact OG-CG 3.41Å; S279-L281 PolarHBondContact OG-N 3.3Å; S279-L435 WeakPolarHBondContact OG-CD1 3.46Å
280K96.4Very high95.7Very high183 Ų18341.6 Ų41.680%0.79619%0.193SC*.THydrogen-bonded Turntrans56.319.7-175.5-49.8176-175.7172.90113.9K277 D278K277-K280 PolarHBondContact O-N 2.93Å; K277-K280 VanDerWaalsContact O-N 3.16Å; D278-K280 VanDerWaalsContact C-N 3.25Å; D278-K280 PolarHBondContact O-N 3.19Å
281L93.2Very high95.8Very high28 Ų2837 Ų3715%0.14718%0.175CC..  trans-62.4143.2167.3-67.4175.1000109.4I247 F276 S279 Q286 I287 I419 L435I247-L281 HydrophobicContact CD1-CD1 4.16Å; I247-L281 HydrophobicContact CD1-CD2 4.45Å; I247-L281 HydrophobicContact CD1-CG 4.38Å; F276-L281 HydrophobicContact CD2-CB 4.13Å; F276-L281 HydrophobicContact CD2-CD1 4.4Å; F276-L281 HydrophobicContact CE2-CB 3.59Å; F276-L281 HydrophobicContact CE2-CD1 4.37Å; F276-L281 HydrophobicContact CZ-CB 4.28Å; S279-L281 PolarHBondContact O-N 2.79Å; S279-L281 VanDerWaalsContact O-N 3.07Å; S279-L281 VanDerWaalsContact OG-CG 3.26Å; S279-L281 WeakPolarHBondContact OG-CG 3.41Å; S279-L281 PolarHBondContact OG-N 3.3Å; L281-Q286 HydrophobicContact CD2-CB 4.39Å; L281-I287 HydrophobicContact CD1-CD1 4.48Å; L281-I287 HydrophobicContact CD1-CG1 4.14Å; L281-I419 HydrophobicContact CD1-CD1 4.04Å; L281-I419 HydrophobicContact CD1-CG2 4.28Å; L281-I419 HydrophobicContact CD2-CD1 3.77Å; L281-L435 HydrophobicContact CD1-CD1 3.88Å
282E88.8Confident95.8Very high160 Ų16037 Ų3775%0.74818%0.175SC*.SBendtrans-85.9-36-175.2-63.3-178.4167.600111.2
283H88.9Confident95.8Very high49 Ų4937.9 Ų37.923%0.22718%0.179CC..  trans-135137.8-174-59.4-60.8000111.9S285 Q286 Y320H283-S285 WeakPolarHBondContact CB-OG 3.34Å; H283-S285 PolarHBondContact O-N 2.95Å; H283-Q286 HydrophobicContact CB-CG 4.42Å; H283-Q286 WeakPolarHBondContact O-CB 3.5Å; H283-Q286 WeakPolarHBondContact O-CG 3.33Å; H283-Q286 PolarHBondContact O-N 3.16Å; H283-Q286 PolarHBondContact O-OE1 2.8Å; H283-Y320 HydrophobicContact CB-CD2 4.32Å; H283-Y320 HydrophobicContact CB-CE2 4.36Å; H283-Y320 AromaticContact CD2-CE2 3.26Å; H283-Y320 WeakPolarHBondContact CD2-CE2 3.35Å; H283-Y320 AromaticContact CD2-CZ 3.66Å; H283-Y320 AromaticContact CE1-CE2 3.8Å; H283-Y320 AromaticContact CG-CE2 3.61Å; H283-Y320 AromaticContact ND1-CE2 3.93Å; H283-Y320 AromaticContact NE2-CE2 3.36Å; H283-Y320 WeakPolarHBondContact NE2-CE2 3.28Å; H283-Y320 AromaticContact NE2-CZ 3.59Å; H283-Y320 PolarHBondContact NE2-OH 2.94Å; H283-Y320 VanDerWaalsContact NE2-OH 3.15Å
284F91.3Very high95.8Very high1 Ų137.1 Ų37.10%0.00418%0.175CC..G310 helixtrans-63.4-24.1177.6-169.2-106.4000112.5F276 Q286 I287 I290 I311 F312 Y315 F316 M421F276-F284 HydrophobicContact CD2-CD2 4.24Å; F276-F284 HydrophobicContact CE2-CB 4.44Å; F276-F284 HydrophobicContact CE2-CD2 4.43Å; F276-F284 HydrophobicContact CZ-CB 4.48Å; F284-Q286 PolarHBondContact O-N 2.77Å; F284-Q286 VanDerWaalsContact O-N 3.11Å; F284-I287 HydrophobicContact CD2-CD1 3.69Å; F284-I287 HydrophobicContact CE2-CD1 3.58Å; F284-I287 HydrophobicContact CZ-CD1 4.45Å; F284-I287 PolarHBondContact O-N 2.96Å; F284-I290 HydrophobicContact CE1-CD1 4.47Å; F284-I290 HydrophobicContact CZ-CD1 3.95Å; F284-I311 HydrophobicContact CD1-CG2 3.8Å; F284-I311 HydrophobicContact CD2-CG2 3.38Å; F284-I311 HydrophobicContact CE1-CB 4.49Å; F284-I311 HydrophobicContact CE1-CG2 3.75Å; F284-I311 HydrophobicContact CE2-CB 4.45Å; F284-I311 HydrophobicContact CE2-CG2 3.34Å; F284-I311 HydrophobicContact CG-CG2 3.63Å; F284-I311 HydrophobicContact CZ-CB 4.29Å; F284-I311 HydrophobicContact CZ-CG2 3.52Å; F284-F312 HydrophobicContact CE1-CD2 4.26Å; F284-F312 HydrophobicContact CE1-CE2 4.14Å; F284-Y315 WeakPolarHBondContact CB-O 3.48Å; F284-Y315 PolarHBondContact N-O 2.76Å; F284-F316 HydrophobicContact CD1-CB 4.29Å; F284-F316 HydrophobicContact CD1-CD2 4.11Å; F284-M421 HydrophobicContact CE2-CE 3.88Å; F284-M421 HydrophobicContact CE2-SD 4.29Å
285S90Very high95.8Very high5 Ų534.3 Ų34.34%0.03516%0.161CC..G310 helixtrans-64.8-7.1173.453.80000114.5H283 I287 Y320H283-S285 WeakPolarHBondContact CB-OG 3.34Å; H283-S285 PolarHBondContact O-N 2.95Å; S285-I287 VanDerWaalsContact C-N 3.31Å; S285-Y320 WeakPolarHBondContact OG-CB 3.44Å; S285-Y320 WeakPolarHBondContact OG-CD2 3.28Å
286Q92.1Very high95.8Very high71 Ų7134.3 Ų34.333%0.33216%0.161SC..G310 helixtrans-77.3-18.8170.7-62.4178.4-90.300112.5L281 H283 F284L281-Q286 HydrophobicContact CD2-CB 4.39Å; H283-Q286 HydrophobicContact CB-CG 4.42Å; H283-Q286 WeakPolarHBondContact O-CB 3.5Å; H283-Q286 WeakPolarHBondContact O-CG 3.33Å; H283-Q286 PolarHBondContact O-N 3.16Å; H283-Q286 PolarHBondContact O-OE1 2.8Å; F284-Q286 PolarHBondContact O-N 2.77Å; F284-Q286 VanDerWaalsContact O-N 3.11Å
287I95Very high95.7Very high0 Ų035.2 Ų35.20%017%0.167CC..  trans-85.4119.1175.6-65.1161.9000108.2F276 L281 F284 S285 H289 I290 V324 I419 M421 L435F276-I287 HydrophobicContact CD2-CD1 3.99Å; L281-I287 HydrophobicContact CD1-CD1 4.48Å; L281-I287 HydrophobicContact CD1-CG1 4.14Å; F284-I287 HydrophobicContact CD2-CD1 3.69Å; F284-I287 HydrophobicContact CE2-CD1 3.58Å; F284-I287 HydrophobicContact CZ-CD1 4.45Å; F284-I287 PolarHBondContact O-N 2.96Å; S285-I287 VanDerWaalsContact C-N 3.31Å; I287-H289 VanDerWaalsContact CG2-O 3.3Å; I287-H289 WeakPolarHBondContact CG2-O 3.42Å; I287-I290 HydrophobicContact CG2-CG1 4.46Å; I287-V324 HydrophobicContact CG2-CG1 4.45Å; I287-V324 WeakPolarHBondContact O-CG2 3.46Å; I287-I419 HydrophobicContact CG1-CG2 4.01Å; I287-M421 HydrophobicContact CD1-CE 3.88Å; I287-M421 HydrophobicContact CG2-CB 4.07Å; I287-L435 HydrophobicContact CD1-CD1 4.19Å; I287-L435 HydrophobicContact CD1-CD2 4.01Å; I287-L435 HydrophobicContact CG1-CD2 4.44Å
288G95.1Very high95.7Very high0 Ų032.5 Ų32.50%016%0.162CC..  trans-95.6-13.6-17900000113.9V325 P413 I419G288-V325 PolarHBondContact O-N 3.45Å; G288-P413 WeakPolarHBondContact O-CG 3.35Å; G288-I419 PolarHBondContact N-O 2.84Å
289H97.8Very high95.5Very high0 Ų034.5 Ų34.50%017%0.172CC..EExtended strand (participates in β ladder)trans-146.3136.1-174.9177.5-148000111.1I287 V325 N327 Y347 I357 W412 I419 V420 M421I287-H289 VanDerWaalsContact CG2-O 3.3Å; I287-H289 WeakPolarHBondContact CG2-O 3.42Å; H289-V325 CarbonylContact C-O 3.56Å; H289-V325 VanDerWaalsContact CA-O 3.29Å; H289-V325 WeakPolarHBondContact CA-O 3.29Å; H289-V325 PolarHBondContact CD2-O 2.8Å; H289-N327 PolarHBondContact NE2-OD1 2.78Å; H289-Y347 AromaticContact CE1-CE1 3.67Å; H289-Y347 AromaticContact CE1-CZ 3.99Å; H289-I357 HydrophobicContact CB-CD1 3.82Å; H289-W412 HydrophobicContact CB-CE3 4.36Å; H289-W412 HydrophobicContact CB-CH2 3.62Å; H289-W412 HydrophobicContact CB-CZ2 4.17Å; H289-W412 HydrophobicContact CB-CZ3 3.71Å; H289-I419 PolarHBondContact N-O 3.15Å; H289-V420 HydrophobicContact CB-CB 4.1Å; H289-V420 HydrophobicContact CB-CG2 4.1Å; H289-V420 VanDerWaalsContact ND1-CG2 3.25Å; H289-V420 WeakPolarHBondContact ND1-CG2 3.48Å; H289-V420 CarbonylContact O-C 3.5Å; H289-V420 VanDerWaalsContact O-CA 3.26Å; H289-V420 WeakPolarHBondContact O-CA 3.41Å; H289-M421 PolarHBondContact O-N 3.46Å
290I98.6Very high95.5Very high0 Ų034.5 Ų34.50%017%0.174CC..EExtended strand (participates in β ladder)trans-115.5114.6165.2-53.6173.4000108F284 I287 I308 V324 V325 I326 N327 M421F284-I290 HydrophobicContact CE1-CD1 4.47Å; F284-I290 HydrophobicContact CZ-CD1 3.95Å; I287-I290 HydrophobicContact CG2-CG1 4.46Å; I290-I308 HydrophobicContact CD1-CD1 4.17Å; I290-I308 HydrophobicContact CD1-CG1 4.09Å; I290-I308 HydrophobicContact CD1-CG2 3.65Å; I290-I308 HydrophobicContact CG2-CD1 4.01Å; I290-V324 HydrophobicContact CD1-CG1 4Å; I290-V324 HydrophobicContact CG1-CG1 3.7Å; I290-V325 PolarHBondContact N-O 3.43Å; I290-I326 HydrophobicContact CB-CG1 4.4Å; I290-I326 HydrophobicContact CD1-CG1 4.46Å; I290-I326 WeakPolarHBondContact O-CA 3.42Å; I290-N327 PolarHBondContact O-N 3.49Å; I290-M421 CarbonylContact C-O 3.59Å; I290-M421 VanDerWaalsContact CA-O 3.27Å; I290-M421 WeakPolarHBondContact CA-O 3.41Å; I290-M421 HydrophobicContact CG1-CB 4.23Å; I290-M421 HydrophobicContact CG2-CB 4.46Å
291N98.7Very high95.5Very high0 Ų025.8 Ų25.80%014%0.136CC..EExtended strand (participates in β ladder)trans-90.1103168179.818.8000108.7E344 Y347 S348 V420 M421 T422 N423N291-E344 WeakPolarHBondContact ND2-CB 3.34Å; N291-E344 PolarHBondContact ND2-O 3.32Å; N291-E344 VanDerWaalsContact ND2-O 3.16Å; N291-Y347 HydrophobicContact CB-CE1 4.28Å; N291-Y347 VanDerWaalsContact ND2-CD1 3.32Å; N291-Y347 WeakPolarHBondContact ND2-CD1 3.13Å; N291-S348 PolarHBondContact ND2-OG 2.92Å; N291-S348 VanDerWaalsContact ND2-OG 3.08Å; N291-V420 HydrophobicContact CB-CG2 4.03Å; N291-M421 PolarHBondContact N-O 2.61Å; N291-T422 HydrophobicContact CB-CG2 4.32Å; N291-T422 CarbonylContact O-C 3.56Å; N291-T422 WeakPolarHBondContact O-CA 3.23Å; N291-N423 PolarHBondContact O-N 2.76Å
292C98.9Very high95.8Very high0 Ų025.8 Ų25.80%014%0.136CC..  trans-81.9157.6-170.7-73.80000113.8F204 A294 E304 I308 I326 N327F204-C292 HydrophobicContact CE2-CB 4.5Å; F204-C292 HydrophobicContact CZ-CB 3.66Å; C292-A294 HydrophobicContact CB-CB 4.05Å; C292-E304 VanDerWaalsContact CA-OE1 3.22Å; C292-E304 WeakPolarHBondContact CA-OE1 3.34Å; C292-E304 VanDerWaalsContact CB-OE1 3.25Å; C292-E304 WeakPolarHBondContact CB-OE1 3.32Å; C292-I308 VanDerWaalsContact SG-CD1 3.54Å; C292-I326 VanDerWaalsContact SG-CG2 3.58Å; C292-N327 VanDerWaalsContact CB-O 3.29Å; C292-N327 WeakPolarHBondContact CB-O 3.39Å; C292-N327 PolarHBondContact N-O 2.98Å
293H98.7Very high96.1Very high18 Ų1818.5 Ų18.58%0.08310%0.103CC..  trans-68.3-37.2168.9-178.968000112.1T295 E304 K330 H335 N423 F425H293-T295 WeakPolarHBondContact NE2-CG2 3.16Å; H293-T295 WeakPolarHBondContact O-CG2 3.37Å; H293-T295 PolarHBondContact O-N 3.15Å; H293-E304 PolarHBondContact N-OE1 3.32Å; H293-E304 PolarHBondContact N-OE2 3.21Å; H293-E304 VanDerWaalsContact N-OE2 3.15Å; H293-K330 VanDerWaalsContact O-CD 3.27Å; H293-K330 WeakPolarHBondContact O-CD 3.35Å; H293-K330 WeakPolarHBondContact O-CE 3.39Å; H293-K330 PolarHBondContact O-NZ 3.18Å; H293-H335 AromaticContact CE1-CE1 3.92Å; H293-H335 AromaticContact CE1-NE2 3.96Å; H293-N423 HydrophobicContact CB-CB 4.44Å; H293-F425 HydrophobicContact CB-CB 4.46Å; H293-F425 HydrophobicContact CB-CD2 3.57Å; H293-F425 HydrophobicContact CB-CE2 3.94Å; H293-F425 HydrophobicContact CB-CG 4.06Å; H293-F425 PolarHBondContact CE1-O 2.93Å; H293-F425 AromaticContact CG-CD2 3.96Å; H293-F425 PolarHBondContact ND1-N 3.19Å; H293-F425 PolarHBondContact NE2-O 3.12Å; H293-F425 VanDerWaalsContact NE2-O 3.1Å
294A98.6Very high96.5Very high0 Ų016.3 Ų16.30%09%0.093CC..  trans-7.6104.6-178.200000115.8P203 F204 C292 D301 E304 S328P203-A294 HydrophobicContact CB-CB 3.94Å; F204-A294 HydrophobicContact CD1-CB 4.07Å; F204-A294 HydrophobicContact CE1-CB 3.3Å; F204-A294 HydrophobicContact CE2-CB 3.91Å; F204-A294 HydrophobicContact CZ-CB 3.22Å; C292-A294 HydrophobicContact CB-CB 4.05Å; A294-D301 WeakPolarHBondContact CA-OD1 3.3Å; A294-E304 PolarHBondContact N-OE2 2.88Å; A294-S328 PolarHBondContact O-OG 3.39Å
295T98.3Very high96.9Very high10 Ų1016.4 Ų16.46%0.0619%0.093CC..  trans-101.914-172.349.40000112.4F211 H293 T297 D301 K330F211-T295 WeakPolarHBondContact CA-O 3.45Å; F211-T295 WeakPolarHBondContact CB-O 3.48Å; F211-T295 PolarHBondContact N-O 3.07Å; H293-T295 WeakPolarHBondContact NE2-CG2 3.16Å; H293-T295 WeakPolarHBondContact O-CG2 3.37Å; H293-T295 PolarHBondContact O-N 3.15Å; T295-T297 PolarHBondContact O-N 2.78Å; T295-T297 WeakPolarHBondContact OG1-CG2 3.3Å; T295-T297 PolarHBondContact OG1-OG1 3.02Å; T295-D301 PolarHBondContact N-OD1 3.13Å; T295-K330 HydrophobicContact CG2-CD 3.62Å
296S98.2Very high97.2Very high0 Ų016.1 Ų16.10%09%0.092CC..SBendtrans67.322.7-172.2-43.70000113.1R202 P203 R208 K209 G210 D301R202-S296 PolarHBondContact N-OG 2.76Å; P203-S296 WeakPolarHBondContact CD-OG 3.42Å; P203-S296 VanDerWaalsContact N-OG 3.07Å; R208-S296 CarbonylContact C-O 3.11Å; R208-S296 WeakPolarHBondContact CB-O 3.39Å; K209-S296 PolarHBondContact N-O 3Å; G210-S296 PolarHBondContact N-O 3.12Å; G210-S296 WeakPolarHBondContact O-CB 3.35Å; S296-D301 VanDerWaalsContact CA-OD2 3.26Å; S296-D301 WeakPolarHBondContact CA-OD2 3.35Å; S296-D301 PolarHBondContact N-OD1 3.5Å; S296-D301 PolarHBondContact N-OD2 3.1Å
297T97.3Very high97.4Very high31 Ų3112.8 Ų12.819%0.198%0.076CC..  trans-90.8136.9175.757.70000109.4R208 T295 I299 G300 D301R208-T297 PolarHBondContact NE-O 3.38Å; T295-T297 PolarHBondContact O-N 2.78Å; T295-T297 WeakPolarHBondContact OG1-CG2 3.3Å; T295-T297 PolarHBondContact OG1-OG1 3.02Å; T297-I299 PolarHBondContact O-N 2.91Å; T297-G300 PolarHBondContact O-N 3.01Å; T297-G300 WeakPolarHBondContact OG1-CA 3.32Å; T297-G300 PolarHBondContact OG1-N 3.09Å; T297-D301 PolarHBondContact N-OD1 3.49Å; T297-D301 WeakPolarHBondContact O-CB 3.43Å; T297-D301 PolarHBondContact O-N 3.42Å; T297-D301 VanDerWaalsContact O-N 3.12Å
298P96.3Very high97.5Very high63 Ų6312.8 Ų12.841%0.4098%0.076SC..Hα-helixtrans-55.2-48.7-176.9-29.735.8000113.4R208 L302R208-P298 PolarHBondContact NH2-O 3.41Å; P298-L302 VanDerWaalsContact O-CB 3.29Å; P298-L302 WeakPolarHBondContact O-CB 3.38Å
299I95.2Very high97.6Very high88 Ų8812.8 Ų12.845%0.4518%0.076SC..Hα-helixtrans-73.7-50-179.6-58.6175.4000110.5P261 T263 T297 D301 L302 T303P261-I299 HydrophobicContact CG-CG2 3.95Å; T263-I299 HydrophobicContact CG2-CG2 4.48Å; T297-I299 PolarHBondContact O-N 2.91Å; I299-D301 PolarHBondContact O-N 3.28Å; I299-L302 PolarHBondContact O-N 3.34Å; I299-T303 VanDerWaalsContact O-CB 3.25Å; I299-T303 WeakPolarHBondContact O-CB 3.49Å; I299-T303 PolarHBondContact O-N 3.13Å; I299-T303 PolarHBondContact O-OG1 2.96Å
300G97.2Very high97.4Very high17 Ų1713.4 Ų13.418%0.1758%0.079CC..Hα-helixtrans-60.8-50.3-17300000113.5T297 L302 T303 E304T297-G300 PolarHBondContact O-N 3.01Å; T297-G300 WeakPolarHBondContact OG1-CA 3.32Å; T297-G300 PolarHBondContact OG1-N 3.09Å; G300-L302 VanDerWaalsContact C-N 3.31Å; G300-L302 PolarHBondContact O-N 2.91Å; G300-T303 PolarHBondContact O-N 3.46Å; G300-E304 WeakPolarHBondContact O-CB 3.39Å; G300-E304 PolarHBondContact O-N 3.2Å
301D98.4Very high97.2Very high0 Ų013.5 Ų13.50%08%0.079CC..Hα-helixtrans-63.4-39.4-180-66.724.2000111.4P203 F204 R208 A294 T295 S296 T297 I299 L305 I367P203-D301 WeakPolarHBondContact CA-OD2 3.4Å; F204-D301 HydrophobicContact CD1-CB 4.01Å; F204-D301 HydrophobicContact CE1-CB 4.39Å; F204-D301 PolarHBondContact N-OD2 3.06Å; R208-D301 VanDerWaalsContact CD-OD2 3.3Å; R208-D301 WeakPolarHBondContact CD-OD2 3.47Å; R208-D301 IonicContact NE-OD2 3.62Å; A294-D301 WeakPolarHBondContact CA-OD1 3.3Å; T295-D301 PolarHBondContact N-OD1 3.13Å; S296-D301 VanDerWaalsContact CA-OD2 3.26Å; S296-D301 WeakPolarHBondContact CA-OD2 3.35Å; S296-D301 PolarHBondContact N-OD1 3.5Å; S296-D301 PolarHBondContact N-OD2 3.1Å; T297-D301 PolarHBondContact N-OD1 3.49Å; T297-D301 WeakPolarHBondContact O-CB 3.43Å; T297-D301 PolarHBondContact O-N 3.42Å; T297-D301 VanDerWaalsContact O-N 3.12Å; I299-D301 PolarHBondContact O-N 3.28Å; D301-L305 WeakPolarHBondContact O-CG 3.15Å; D301-L305 PolarHBondContact O-N 2.77Å; D301-I367 HydrophobicContact CB-CD1 4.13Å
302L97.5Very high97Very high28 Ų2813.5 Ų13.515%0.1478%0.079CC..Hα-helixtrans-67.9-44.5178.9179.363000111.7P298 I299 G300 L305 S306 I367 E371 L372 V375P298-L302 VanDerWaalsContact O-CB 3.29Å; P298-L302 WeakPolarHBondContact O-CB 3.38Å; I299-L302 PolarHBondContact O-N 3.34Å; G300-L302 VanDerWaalsContact C-N 3.31Å; G300-L302 PolarHBondContact O-N 2.91Å; L302-L305 PolarHBondContact O-N 3.3Å; L302-S306 VanDerWaalsContact O-CB 3.31Å; L302-S306 WeakPolarHBondContact O-CB 3.24Å; L302-S306 PolarHBondContact O-N 3.21Å; L302-I367 HydrophobicContact CB-CD1 4.49Å; L302-I367 HydrophobicContact CD1-CG2 3.61Å; L302-E371 HydrophobicContact CD1-CB 3.76Å; L302-E371 HydrophobicContact CD2-CB 4.36Å; L302-L372 HydrophobicContact CD1-CD2 3.79Å; L302-L372 HydrophobicContact CD1-CG 4.31Å; L302-V375 HydrophobicContact CD1-CG2 4.31Å; L302-V375 HydrophobicContact CD2-CG2 3.61Å; L302-V375 HydrophobicContact CG-CG2 3.7Å
303T95.8Very high96.6Very high7 Ų713.5 Ų13.54%0.0438%0.079CC..Hα-helixtrans-63-41.3177-69.30000111.5P261 D262 I299 G300 S306 A307P261-T303 HydrophobicContact CB-CG2 4.26Å; P261-T303 HydrophobicContact CG-CG2 4.33Å; D262-T303 WeakPolarHBondContact O-CG2 3.41Å; I299-T303 VanDerWaalsContact O-CB 3.25Å; I299-T303 WeakPolarHBondContact O-CB 3.49Å; I299-T303 PolarHBondContact O-N 3.13Å; I299-T303 PolarHBondContact O-OG1 2.96Å; G300-T303 PolarHBondContact O-N 3.46Å; T303-S306 PolarHBondContact O-N 2.96Å; T303-A307 WeakPolarHBondContact O-CB 3.35Å; T303-A307 PolarHBondContact O-N 3.39Å
304E98.3Very high96.2Very high3 Ų316.6 Ų16.61%0.0149%0.094CC..Hα-helixtrans-65.8-47.5176.6-178.2168.3-15800112.1C292 H293 A294 G300 S306 A307 I308 N423 F425C292-E304 VanDerWaalsContact CA-OE1 3.22Å; C292-E304 WeakPolarHBondContact CA-OE1 3.34Å; C292-E304 VanDerWaalsContact CB-OE1 3.25Å; C292-E304 WeakPolarHBondContact CB-OE1 3.32Å; H293-E304 PolarHBondContact N-OE1 3.32Å; H293-E304 PolarHBondContact N-OE2 3.21Å; H293-E304 VanDerWaalsContact N-OE2 3.15Å; A294-E304 PolarHBondContact N-OE2 2.88Å; G300-E304 WeakPolarHBondContact O-CB 3.39Å; G300-E304 PolarHBondContact O-N 3.2Å; E304-S306 VanDerWaalsContact C-N 3.29Å; E304-S306 PolarHBondContact O-N 3.26Å; E304-A307 WeakPolarHBondContact O-CB 3.21Å; E304-A307 PolarHBondContact O-N 3.08Å; E304-I308 HydrophobicContact CG-CD1 4.17Å; E304-I308 WeakPolarHBondContact O-CG1 3.47Å; E304-I308 PolarHBondContact O-N 3.43Å; E304-N423 WeakPolarHBondContact OE1-CB 3.3Å; E304-N423 PolarHBondContact OE1-ND2 2.81Å; E304-F425 HydrophobicContact CB-CE2 4.14Å; E304-F425 HydrophobicContact CG-CE2 3.79Å; E304-F425 HydrophobicContact CG-CZ 4.46Å; E304-F425 WeakPolarHBondContact OE1-CE2 3.16Å
305L98.2Very high95.8Very high3 Ų320.4 Ų20.42%0.01611%0.109CC..Hα-helixtrans-63-36.5176.2-71-169.5000112.3F204 D301 L302 I308 A309 I326 I367 L372 F396 L402F204-L305 HydrophobicContact CB-CD1 4.49Å; F204-L305 HydrophobicContact CD1-CD1 3.62Å; F204-L305 HydrophobicContact CD1-CD2 3.87Å; F204-L305 HydrophobicContact CD1-CG 3.65Å; F204-L305 HydrophobicContact CE1-CD1 4.13Å; F204-L305 HydrophobicContact CE1-CD2 3.51Å; F204-L305 HydrophobicContact CE1-CG 3.64Å; F204-L305 HydrophobicContact CG-CD1 4.28Å; F204-L305 HydrophobicContact CZ-CD2 4.06Å; D301-L305 WeakPolarHBondContact O-CG 3.15Å; D301-L305 PolarHBondContact O-N 2.77Å; L302-L305 PolarHBondContact O-N 3.3Å; L305-I308 HydrophobicContact CD2-CD1 4.26Å; L305-I308 PolarHBondContact O-N 2.96Å; L305-A309 WeakPolarHBondContact O-CB 3.16Å; L305-A309 PolarHBondContact O-N 3.24Å; L305-I326 HydrophobicContact CD2-CG2 4Å; L305-I367 HydrophobicContact CD1-CB 4.28Å; L305-I367 HydrophobicContact CD1-CD1 3.72Å; L305-L372 HydrophobicContact CB-CD2 3.54Å; L305-F396 HydrophobicContact CD2-CZ 4.2Å; L305-L402 HydrophobicContact CD1-CD2 4.1Å; L305-L402 HydrophobicContact CD2-CD2 4.42Å
306S96.1Very high95.3Very high0 Ų020.2 Ų20.20%011%0.107CC..Hα-helixtrans-64.2-40.9174178.80000112L302 T303 E304 I308 A309 Q310 V375 L376L302-S306 VanDerWaalsContact O-CB 3.31Å; L302-S306 WeakPolarHBondContact O-CB 3.24Å; L302-S306 PolarHBondContact O-N 3.21Å; T303-S306 PolarHBondContact O-N 2.96Å; E304-S306 VanDerWaalsContact C-N 3.29Å; E304-S306 PolarHBondContact O-N 3.26Å; S306-I308 VanDerWaalsContact C-N 3.33Å; S306-A309 PolarHBondContact O-N 3.05Å; S306-Q310 WeakPolarHBondContact O-CG 3.4Å; S306-Q310 PolarHBondContact O-N 3.24Å; S306-Q310 PolarHBondContact O-NE2 2.93Å; S306-V375 VanDerWaalsContact OG-CG1 3.28Å; S306-V375 WeakPolarHBondContact OG-CG1 3.49Å; S306-L376 WeakPolarHBondContact OG-CD2 3.42Å
307A96.9Very high94.8Very high0 Ų022 Ų220%012%0.118CC..Hα-helixtrans-63.4-40.117400000111.6A268 L269 M272 T303 E304 Q310 I311A268-A307 HydrophobicContact CB-CB 3.86Å; L269-A307 HydrophobicContact CB-CB 4.16Å; M272-A307 HydrophobicContact CE-CB 3.64Å; T303-A307 WeakPolarHBondContact O-CB 3.35Å; T303-A307 PolarHBondContact O-N 3.39Å; E304-A307 WeakPolarHBondContact O-CB 3.21Å; E304-A307 PolarHBondContact O-N 3.08Å; A307-Q310 WeakPolarHBondContact O-CB 3.44Å; A307-Q310 PolarHBondContact O-N 2.62Å; A307-I311 PolarHBondContact O-N 3.32Å; A307-I311 VanDerWaalsContact O-N 3.16Å
308I97.7Very high94.1Very high0 Ų022.2 Ų22.20%012%0.12CC..Hα-helixtrans-63.1-47.7174.3-66.9165.5000110.4M272 I290 C292 E304 L305 S306 Q310 I311 F312 I326 F396M272-I308 HydrophobicContact CE-CG1 3.96Å; M272-I308 HydrophobicContact SD-CG1 3.97Å; I290-I308 HydrophobicContact CD1-CD1 4.17Å; I290-I308 HydrophobicContact CD1-CG1 4.09Å; I290-I308 HydrophobicContact CD1-CG2 3.65Å; I290-I308 HydrophobicContact CG2-CD1 4.01Å; C292-I308 VanDerWaalsContact SG-CD1 3.54Å; E304-I308 HydrophobicContact CG-CD1 4.17Å; E304-I308 WeakPolarHBondContact O-CG1 3.47Å; E304-I308 PolarHBondContact O-N 3.43Å; L305-I308 HydrophobicContact CD2-CD1 4.26Å; L305-I308 PolarHBondContact O-N 2.96Å; S306-I308 VanDerWaalsContact C-N 3.33Å; I308-Q310 PolarHBondContact O-N 3.15Å; I308-I311 PolarHBondContact O-N 2.91Å; I308-F312 HydrophobicContact CG2-CD2 3.78Å; I308-F312 HydrophobicContact CG2-CE2 3.62Å; I308-F312 WeakPolarHBondContact O-CD2 3.39Å; I308-F312 PolarHBondContact O-N 3.32Å; I308-I326 HydrophobicContact CD1-CD1 4.33Å; I308-I326 HydrophobicContact CD1-CG2 4.38Å; I308-I326 HydrophobicContact CG2-CD1 3.77Å; I308-F396 HydrophobicContact CB-CE2 4.43Å; I308-F396 HydrophobicContact CG2-CD2 4.24Å; I308-F396 HydrophobicContact CG2-CE2 3.98Å
309A96.6Very high93.4Very high0 Ų025.9 Ų25.90%013%0.131CC..Hα-helixtrans-57.2-3717700000112.7L305 S306 F312 G313 C392 F396L305-A309 WeakPolarHBondContact O-CB 3.16Å; L305-A309 PolarHBondContact O-N 3.24Å; S306-A309 PolarHBondContact O-N 3.05Å; A309-F312 WeakPolarHBondContact O-CB 3.26Å; A309-F312 PolarHBondContact O-N 2.85Å; A309-G313 PolarHBondContact O-N 2.79Å; A309-C392 WeakPolarHBondContact O-CB 3.31Å; A309-F396 HydrophobicContact CB-CB 3.98Å; A309-F396 HydrophobicContact CB-CD2 3.84Å; A309-F396 HydrophobicContact CB-CG 4.02Å
310Q94.9Very high92.3Very high14 Ų1427.6 Ų27.67%0.06513%0.133CC..Hα-helixtrans-62.2-44.1172.8-73.3170.389.300111.8T264 L269 S306 A307 I308 F312 G313 E314 L376 N379T264-Q310 PolarHBondContact O-NE2 3.36Å; L269-Q310 HydrophobicContact CD1-CB 4.16Å; L269-Q310 HydrophobicContact CD2-CB 4.15Å; S306-Q310 WeakPolarHBondContact O-CG 3.4Å; S306-Q310 PolarHBondContact O-N 3.24Å; S306-Q310 PolarHBondContact O-NE2 2.93Å; A307-Q310 WeakPolarHBondContact O-CB 3.44Å; A307-Q310 PolarHBondContact O-N 2.62Å; I308-Q310 PolarHBondContact O-N 3.15Å; Q310-F312 VanDerWaalsContact C-N 3.3Å; Q310-F312 PolarHBondContact O-N 3.21Å; Q310-G313 WeakPolarHBondContact O-CA 3.31Å; Q310-G313 PolarHBondContact O-N 3.11Å; Q310-G313 VanDerWaalsContact O-N 3.08Å; Q310-E314 WeakPolarHBondContact O-CG 3.38Å; Q310-E314 PolarHBondContact O-N 3.12Å; Q310-L376 HydrophobicContact CG-CD2 3.42Å; Q310-L376 VanDerWaalsContact CG-CD2 3.42Å; Q310-N379 PolarHBondContact NE2-ND2 3.06Å; Q310-N379 PolarHBondContact OE1-ND2 2.92Å
311I94.1Very high91.1Very high1 Ų132.7 Ų32.71%0.00515%0.152CC..Hα-helixtrans-62.9-38.2175.8-62.4-178.7000111.7L269 M272 L273 F284 A307 I308 G313 E314 Y315 F316L269-I311 HydrophobicContact CD1-CB 4.49Å; L269-I311 HydrophobicContact CD1-CD1 3.91Å; L269-I311 HydrophobicContact CD1-CG1 3.22Å; M272-I311 HydrophobicContact CB-CD1 3.31Å; M272-I311 HydrophobicContact CE-CD1 3.5Å; M272-I311 VanDerWaalsContact CE-CD1 3.5Å; M272-I311 HydrophobicContact CE-CG1 4.37Å; M272-I311 HydrophobicContact CG-CD1 4.1Å; M272-I311 HydrophobicContact SD-CD1 3.76Å; L273-I311 HydrophobicContact CD2-CD1 4.17Å; L273-I311 HydrophobicContact CD2-CG1 4.02Å; L273-I311 HydrophobicContact CD2-CG2 4.43Å; L273-I311 HydrophobicContact CG-CD1 4.49Å; L273-I311 HydrophobicContact CG-CG1 4.48Å; F284-I311 HydrophobicContact CD1-CG2 3.8Å; F284-I311 HydrophobicContact CD2-CG2 3.38Å; F284-I311 HydrophobicContact CE1-CB 4.49Å; F284-I311 HydrophobicContact CE1-CG2 3.75Å; F284-I311 HydrophobicContact CE2-CB 4.45Å; F284-I311 HydrophobicContact CE2-CG2 3.34Å; F284-I311 HydrophobicContact CG-CG2 3.63Å; F284-I311 HydrophobicContact CZ-CB 4.29Å; F284-I311 HydrophobicContact CZ-CG2 3.52Å; A307-I311 PolarHBondContact O-N 3.32Å; A307-I311 VanDerWaalsContact O-N 3.16Å; I308-I311 PolarHBondContact O-N 2.91Å; I311-G313 VanDerWaalsContact C-N 3.32Å; I311-G313 PolarHBondContact O-N 3.47Å; I311-E314 PolarHBondContact O-N 3.18Å; I311-Y315 HydrophobicContact CG2-CD2 4.42Å; I311-Y315 PolarHBondContact O-N 3.13Å; I311-F316 PolarHBondContact O-N 3.16Å
312F92.8Very high90.3Very high0 Ų033.7 Ų33.70%016%0.158CC..Hα-helixtrans-56.9-48.1171.2-87.8-92.8000111.1F284 I308 A309 Q310 E314 F316 V324 L395 F396 A400F284-F312 HydrophobicContact CE1-CD2 4.26Å; F284-F312 HydrophobicContact CE1-CE2 4.14Å; I308-F312 HydrophobicContact CG2-CD2 3.78Å; I308-F312 HydrophobicContact CG2-CE2 3.62Å; I308-F312 WeakPolarHBondContact O-CD2 3.39Å; I308-F312 PolarHBondContact O-N 3.32Å; A309-F312 WeakPolarHBondContact O-CB 3.26Å; A309-F312 PolarHBondContact O-N 2.85Å; Q310-F312 VanDerWaalsContact C-N 3.3Å; Q310-F312 PolarHBondContact O-N 3.21Å; F312-E314 VanDerWaalsContact C-N 3.35Å; F312-E314 PolarHBondContact O-N 3.13Å; F312-F316 HydrophobicContact CB-CB 4.28Å; F312-F316 HydrophobicContact CD1-CB 3.77Å; F312-F316 HydrophobicContact CD1-CD1 4.03Å; F312-F316 AromaticContact CD1-CD2 3.79Å; F312-F316 HydrophobicContact CD1-CD2 3.79Å; F312-F316 HydrophobicContact CD1-CE2 4.36Å; F312-F316 AromaticContact CD1-CG 3.59Å; F312-F316 HydrophobicContact CD1-CG 3.59Å; F312-F316 HydrophobicContact CE1-CD1 4.39Å; F312-F316 AromaticContact CE1-CD2 3.67Å; F312-F316 HydrophobicContact CE1-CD2 3.67Å; F312-F316 AromaticContact CE1-CE2 3.86Å; F312-F316 HydrophobicContact CE1-CE2 3.86Å; F312-F316 AromaticContact CE1-CG 3.95Å; F312-F316 HydrophobicContact CE1-CG 3.95Å; F312-F316 HydrophobicContact CE1-CZ 4.31Å; F312-F316 HydrophobicContact CG-CB 4.26Å; F312-F316 VanDerWaalsContact O-CB 3.22Å; F312-F316 WeakPolarHBondContact O-CB 3.23Å; F312-F316 PolarHBondContact O-N 2.91Å; F312-V324 HydrophobicContact CE1-CG2 4.03Å; F312-V324 HydrophobicContact CE2-CG2 4.43Å; F312-V324 HydrophobicContact CZ-CB 3.77Å; F312-V324 HydrophobicContact CZ-CG2 3.54Å; F312-L395 HydrophobicContact CB-CB 4.01Å; F312-L395 HydrophobicContact CD1-CB 4.27Å; F312-L395 WeakPolarHBondContact O-CD1 3.45Å; F312-F396 HydrophobicContact CD2-CD2 4.21Å; F312-F396 HydrophobicContact CE2-CD2 4.36Å; F312-A400 HydrophobicContact CE2-CB 4.25Å; F312-A400 HydrophobicContact CZ-CB 4.07Å
313G91.5Very high90Very high0 Ų034.7 Ų34.70%017%0.167CC..Hα-helixtrans-60.2-38.3176.300000114.6A309 Q310 I311 K391A309-G313 PolarHBondContact O-N 2.79Å; Q310-G313 WeakPolarHBondContact O-CA 3.31Å; Q310-G313 PolarHBondContact O-N 3.11Å; Q310-G313 VanDerWaalsContact O-N 3.08Å; I311-G313 VanDerWaalsContact C-N 3.32Å; I311-G313 PolarHBondContact O-N 3.47Å; G313-K391 VanDerWaalsContact O-CE 3.23Å; G313-K391 WeakPolarHBondContact O-CE 3.5Å; G313-K391 PolarHBondContact O-NZ 2.96Å
314E90.4Very high89.9Confident83 Ų8334.4 Ų34.439%0.38817%0.165SC..Hα-helixtrans-86.9-41.4-174.2-66.2-177.1-171.500113.7Q310 I311 F312 F388Q310-E314 WeakPolarHBondContact O-CG 3.38Å; Q310-E314 PolarHBondContact O-N 3.12Å; I311-E314 PolarHBondContact O-N 3.18Å; F312-E314 VanDerWaalsContact C-N 3.35Å; F312-E314 PolarHBondContact O-N 3.13Å; E314-F388 HydrophobicContact CG-CE2 3.79Å; E314-F388 HydrophobicContact CG-CZ 3.54Å
315Y89.2Confident89.9Confident80 Ų8034.4 Ų34.431%0.31417%0.165SC..Hα-helixtrans-128.9-9.9-164.5-65.2-80.2000115L273 F276 F284 I311L273-Y315 HydrophobicContact CD1-CE2 3.95Å; L273-Y315 HydrophobicContact CD2-CD2 3.42Å; L273-Y315 VanDerWaalsContact CD2-CD2 3.42Å; L273-Y315 HydrophobicContact CD2-CE2 3.19Å; L273-Y315 HydrophobicContact CD2-CG 4.45Å; L273-Y315 HydrophobicContact CG-CE2 4.19Å; F276-Y315 HydrophobicContact CE1-CD1 4.12Å; F276-Y315 HydrophobicContact CE1-CG 4.45Å; F284-Y315 WeakPolarHBondContact CB-O 3.48Å; F284-Y315 PolarHBondContact N-O 2.76Å; I311-Y315 HydrophobicContact CG2-CD2 4.42Å; I311-Y315 PolarHBondContact O-N 3.13Å
316F89.6Confident89.9Confident7 Ų734.3 Ų34.33%0.03116%0.164CC..  trans-79.7133.5175.9-170.5-91.5000111.2F284 I311 F312 P318 V324 L395 Y399F284-F316 HydrophobicContact CD1-CB 4.29Å; F284-F316 HydrophobicContact CD1-CD2 4.11Å; I311-F316 PolarHBondContact O-N 3.16Å; F312-F316 HydrophobicContact CB-CB 4.28Å; F312-F316 HydrophobicContact CD1-CB 3.77Å; F312-F316 HydrophobicContact CD1-CD1 4.03Å; F312-F316 AromaticContact CD1-CD2 3.79Å; F312-F316 HydrophobicContact CD1-CD2 3.79Å; F312-F316 HydrophobicContact CD1-CE2 4.36Å; F312-F316 AromaticContact CD1-CG 3.59Å; F312-F316 HydrophobicContact CD1-CG 3.59Å; F312-F316 HydrophobicContact CE1-CD1 4.39Å; F312-F316 AromaticContact CE1-CD2 3.67Å; F312-F316 HydrophobicContact CE1-CD2 3.67Å; F312-F316 AromaticContact CE1-CE2 3.86Å; F312-F316 HydrophobicContact CE1-CE2 3.86Å; F312-F316 AromaticContact CE1-CG 3.95Å; F312-F316 HydrophobicContact CE1-CG 3.95Å; F312-F316 HydrophobicContact CE1-CZ 4.31Å; F312-F316 HydrophobicContact CG-CB 4.26Å; F312-F316 VanDerWaalsContact O-CB 3.22Å; F312-F316 WeakPolarHBondContact O-CB 3.23Å; F312-F316 PolarHBondContact O-N 2.91Å; F316-P318 HydrophobicContact CD1-CG 4.39Å; F316-P318 HydrophobicContact CE1-CG 4.49Å; F316-V324 HydrophobicContact CD2-CG2 4.5Å; F316-V324 HydrophobicContact CE2-CG2 4.09Å; F316-L395 HydrophobicContact CD1-CD2 4.41Å; F316-Y399 HydrophobicContact CD1-CD2 4.22Å; F316-Y399 HydrophobicContact CD1-CG 4.34Å; F316-Y399 AromaticContact CE1-CD1 3.6Å; F316-Y399 HydrophobicContact CE1-CD1 3.6Å; F316-Y399 AromaticContact CE1-CD2 3.53Å; F316-Y399 HydrophobicContact CE1-CD2 3.53Å; F316-Y399 AromaticContact CE1-CE1 4Å; F316-Y399 HydrophobicContact CE1-CE1 4Å; F316-Y399 AromaticContact CE1-CE2 3.95Å; F316-Y399 HydrophobicContact CE1-CE2 3.95Å; F316-Y399 AromaticContact CE1-CG 3.36Å; F316-Y399 HydrophobicContact CE1-CG 3.36Å; F316-Y399 AromaticContact CZ-CD1 3.55Å; F316-Y399 HydrophobicContact CZ-CD1 3.55Å; F316-Y399 HydrophobicContact CZ-CD2 4.21Å; F316-Y399 HydrophobicContact CZ-CE1 4.22Å; F316-Y399 AromaticContact CZ-CG 3.55Å; F316-Y399 HydrophobicContact CZ-CG 3.55Å
317T87.2Confident90Very high37 Ų3734.3 Ų34.323%0.22716%0.164CC..  trans-118.3101.6-176.3-60.20000108.6Q319 Y320T317-Q319 HydrophobicContact CG2-CB 4.35Å; T317-Q319 PolarHBondContact O-N 3.45Å; T317-Y320 HydrophobicContact CG2-CD2 3.69Å; T317-Y320 HydrophobicContact CG2-CE2 3.72Å; T317-Y320 PolarHBondContact O-N 2.95Å; T317-Y320 VanDerWaalsContact O-N 3.15Å
318P82.6Confident90Very high36 Ų3634.3 Ų34.323%0.23416%0.164CC..G310 helixtrans-52.7-29.3-175.1-34.440000115.5F316 Y320 H321 L395 Y399F316-P318 HydrophobicContact CD1-CG 4.39Å; F316-P318 HydrophobicContact CE1-CG 4.49Å; P318-Y320 PolarHBondContact O-N 3.35Å; P318-Y320 VanDerWaalsContact O-N 3.07Å; P318-H321 WeakPolarHBondContact O-CA 3.33Å; P318-H321 PolarHBondContact O-CD2 3Å; P318-H321 VanDerWaalsContact O-CD2 3.25Å; P318-H321 PolarHBondContact O-CE1 2.82Å; P318-H321 VanDerWaalsContact O-CE1 3.23Å; P318-H321 PolarHBondContact O-N 2.73Å; P318-H321 PolarHBondContact O-ND1 3.14Å; P318-H321 VanDerWaalsContact O-ND1 3.13Å; P318-H321 PolarHBondContact O-NE2 3.04Å; P318-L395 HydrophobicContact CG-CD2 3.53Å; P318-Y399 HydrophobicContact CB-CE2 4.24Å; P318-Y399 WeakPolarHBondContact CB-OH 2.93Å; P318-Y399 HydrophobicContact CG-CE2 4.27Å
319Q81Confident90Very high139 Ų13934.8 Ų34.865%0.6517%0.167SC*.G310 helixtrans-56.5-27.9-178.5-67.17418.700112.3T317 H321T317-Q319 HydrophobicContact CG2-CB 4.35Å; T317-Q319 PolarHBondContact O-N 3.45Å; Q319-H321 PolarHBondContact O-ND1 3.28Å; Q319-H321 VanDerWaalsContact O-ND1 3.08Å
320Y72.1Confident90.1Very high125 Ų12535 Ų3549%0.4917%0.168SC..G310 helixtrans-89.11.6178.4-59.7-64.3000114.5H283 S285 T317 P318 T322H283-Y320 HydrophobicContact CB-CD2 4.32Å; H283-Y320 HydrophobicContact CB-CE2 4.36Å; H283-Y320 AromaticContact CD2-CE2 3.26Å; H283-Y320 WeakPolarHBondContact CD2-CE2 3.35Å; H283-Y320 AromaticContact CD2-CZ 3.66Å; H283-Y320 AromaticContact CE1-CE2 3.8Å; H283-Y320 AromaticContact CG-CE2 3.61Å; H283-Y320 AromaticContact ND1-CE2 3.93Å; H283-Y320 AromaticContact NE2-CE2 3.36Å; H283-Y320 WeakPolarHBondContact NE2-CE2 3.28Å; H283-Y320 AromaticContact NE2-CZ 3.59Å; H283-Y320 PolarHBondContact NE2-OH 2.94Å; H283-Y320 VanDerWaalsContact NE2-OH 3.15Å; S285-Y320 WeakPolarHBondContact OG-CB 3.44Å; S285-Y320 WeakPolarHBondContact OG-CD2 3.28Å; T317-Y320 HydrophobicContact CG2-CD2 3.69Å; T317-Y320 HydrophobicContact CG2-CE2 3.72Å; T317-Y320 PolarHBondContact O-N 2.95Å; T317-Y320 VanDerWaalsContact O-N 3.15Å; P318-Y320 PolarHBondContact O-N 3.35Å; P318-Y320 VanDerWaalsContact O-N 3.07Å; Y320-T322 PolarHBondContact O-N 3.48Å; Y320-T322 PolarHBondContact O-OG1 2.68Å
321H71.9Confident90.1Very high123 Ų12334.6 Ų34.657%0.56917%0.168SC*.  trans42.1-2.7166-68.9100.9000121.7P318 Q319 P323P318-H321 WeakPolarHBondContact O-CA 3.33Å; P318-H321 PolarHBondContact O-CD2 3Å; P318-H321 VanDerWaalsContact O-CD2 3.25Å; P318-H321 PolarHBondContact O-CE1 2.82Å; P318-H321 VanDerWaalsContact O-CE1 3.23Å; P318-H321 PolarHBondContact O-N 2.73Å; P318-H321 PolarHBondContact O-ND1 3.14Å; P318-H321 VanDerWaalsContact O-ND1 3.13Å; P318-H321 PolarHBondContact O-NE2 3.04Å; Q319-H321 PolarHBondContact O-ND1 3.28Å; Q319-H321 VanDerWaalsContact O-ND1 3.08Å; H321-P323 WeakPolarHBondContact O-CD 3.33Å
322T81.7Confident90.2Very high22 Ų2238.3 Ų38.314%0.13519%0.185CC..  trans-71.8116.2178.8-56.20000109.6Y320 P413 D414Y320-T322 PolarHBondContact O-N 3.48Å; Y320-T322 PolarHBondContact O-OG1 2.68Å; T322-P413 HydrophobicContact CG2-CB 3.28Å; T322-P413 HydrophobicContact CG2-CG 4.38Å; T322-D414 WeakPolarHBondContact CG2-O 3.46Å; T322-D414 PolarHBondContact OG1-O 3.12Å
323P90.6Very high90.3Very high49 Ų4942.4 Ų42.432%0.31821%0.206SC..  trans-62.8157.4172.8-19.633.6000110.7H321 Y399 V401 P413H321-P323 WeakPolarHBondContact O-CD 3.33Å; P323-Y399 CarbonylContact C-O 3.52Å; P323-Y399 VanDerWaalsContact CA-O 3.3Å; P323-Y399 WeakPolarHBondContact CA-O 3.2Å; P323-Y399 WeakPolarHBondContact CB-O 3.16Å; P323-V401 HydrophobicContact CB-CG2 3.94Å; P323-P413 WeakPolarHBondContact O-CB 3.32Å; P323-P413 WeakPolarHBondContact O-CG 3.43Å
324V95Very high90.6Very high0 Ų042.8 Ų42.80%021%0.21CC..EExtended strand (participates in β ladder)trans-109.5119.5174.8-166.90000108.5I287 I290 F312 F316 Y399 A400 V401I287-V324 HydrophobicContact CG2-CG1 4.45Å; I287-V324 WeakPolarHBondContact O-CG2 3.46Å; I290-V324 HydrophobicContact CD1-CG1 4Å; I290-V324 HydrophobicContact CG1-CG1 3.7Å; F312-V324 HydrophobicContact CE1-CG2 4.03Å; F312-V324 HydrophobicContact CE2-CG2 4.43Å; F312-V324 HydrophobicContact CZ-CB 3.77Å; F312-V324 HydrophobicContact CZ-CG2 3.54Å; F316-V324 HydrophobicContact CD2-CG2 4.5Å; F316-V324 HydrophobicContact CE2-CG2 4.09Å; V324-Y399 PolarHBondContact N-O 3.26Å; V324-A400 WeakPolarHBondContact O-CA 3.46Å; V324-V401 PolarHBondContact O-N 2.94Å
325V96.8Very high91Very high4 Ų439 Ų392%0.02419%0.192CC..EExtended strand (participates in β ladder)trans-75.4135.2173.6-178.30000108.8G288 H289 I290 I357 V401 P403 V410 P413G288-V325 PolarHBondContact O-N 3.45Å; H289-V325 CarbonylContact C-O 3.56Å; H289-V325 VanDerWaalsContact CA-O 3.29Å; H289-V325 WeakPolarHBondContact CA-O 3.29Å; H289-V325 PolarHBondContact CD2-O 2.8Å; I290-V325 PolarHBondContact N-O 3.43Å; V325-I357 HydrophobicContact CB-CD1 3.83Å; V325-I357 HydrophobicContact CG1-CD1 4.07Å; V325-I357 HydrophobicContact CG1-CG2 3.8Å; V325-I357 HydrophobicContact CG2-CD1 3.98Å; V325-V401 CarbonylContact C-O 3.51Å; V325-V401 WeakPolarHBondContact CA-O 3.31Å; V325-P403 HydrophobicContact CG1-CG 3.61Å; V325-V410 HydrophobicContact CG2-CG1 4.45Å; V325-P413 HydrophobicContact CG2-CG 3.83Å
326I98.2Very high91.4Very high0 Ų035.5 Ų35.50%018%0.18CC..EExtended strand (participates in β ladder)trans-121.7122179.5-58.8-178000108.4F204 I290 C292 L305 I308 N360 F396 A400 V401 L402 P403F204-I326 HydrophobicContact CE2-CG2 4.4Å; F204-I326 HydrophobicContact CZ-CG2 4.23Å; I290-I326 HydrophobicContact CB-CG1 4.4Å; I290-I326 HydrophobicContact CD1-CG1 4.46Å; I290-I326 WeakPolarHBondContact O-CA 3.42Å; C292-I326 VanDerWaalsContact SG-CG2 3.58Å; L305-I326 HydrophobicContact CD2-CG2 4Å; I308-I326 HydrophobicContact CD1-CD1 4.33Å; I308-I326 HydrophobicContact CD1-CG2 4.38Å; I308-I326 HydrophobicContact CG2-CD1 3.77Å; I326-N360 PolarHBondContact O-ND2 3.48Å; I326-N360 VanDerWaalsContact O-ND2 3.15Å; I326-F396 HydrophobicContact CD1-CE2 3.67Å; I326-F396 HydrophobicContact CD1-CZ 4.12Å; I326-A400 HydrophobicContact CD1-CB 3.69Å; I326-A400 HydrophobicContact CG1-CB 4.48Å; I326-V401 PolarHBondContact N-O 2.9Å; I326-L402 HydrophobicContact CB-CD1 4.04Å; I326-L402 HydrophobicContact CB-CG 4.06Å; I326-L402 HydrophobicContact CD1-CD1 4.15Å; I326-L402 HydrophobicContact CG2-CG 4.31Å; I326-P403 WeakPolarHBondContact O-CD 3.29Å
327N98.1Very high91.8Very high0 Ų035.5 Ų35.50%018%0.18CC..EExtended strand (participates in β ladder)trans-141.4171.117687.4-23.9000113.9H289 I290 C292 Y347 C358 N360H289-N327 PolarHBondContact NE2-OD1 2.78Å; I290-N327 PolarHBondContact O-N 3.49Å; C292-N327 VanDerWaalsContact CB-O 3.29Å; C292-N327 WeakPolarHBondContact CB-O 3.39Å; C292-N327 PolarHBondContact N-O 2.98Å; N327-Y347 PolarHBondContact ND2-OH 2.9Å; N327-C358 PolarHBondContact ND2-O 3.4Å; N327-C358 PolarHBondContact ND2-SG 3.48Å; N327-N360 WeakPolarHBondContact CA-OD1 3.39Å
328S98.4Very high92.3Very high0 Ų033.7 Ų33.70%017%0.169CC..  trans-138.5129.2163.4162.20000109.6P203 A294 K330 N360P203-S328 WeakPolarHBondContact CG-OG 3.28Å; A294-S328 PolarHBondContact O-OG 3.39Å; S328-K330 PolarHBondContact O-N 3.27Å; S328-K330 PolarHBondContact OG-N 2.88Å; S328-N360 PolarHBondContact N-OD1 3.46Å
329I97.1Very high93.1Very high10 Ų1032 Ų325%0.05116%0.158CC..THydrogen-bonded Turntrans-78.7-6.6179.369.9175.7000112.8G331 H332 L333 I343 E344 Y347 C358I329-G331 PolarHBondContact O-N 3.01Å; I329-H332 PolarHBondContact O-N 3.4Å; I329-H332 PolarHBondContact O-ND1 3.16Å; I329-L333 HydrophobicContact CD1-CD1 4.13Å; I329-L333 PolarHBondContact O-N 3.41Å; I329-I343 HydrophobicContact CD1-CG2 4.07Å; I329-E344 HydrophobicContact CD1-CG 3.69Å; I329-E344 HydrophobicContact CG1-CG 3.83Å; I329-Y347 HydrophobicContact CD1-CD1 4.23Å; I329-Y347 HydrophobicContact CD1-CG 4.04Å; I329-Y347 HydrophobicContact CG2-CD1 3.55Å; I329-Y347 HydrophobicContact CG2-CD2 3.96Å; I329-Y347 HydrophobicContact CG2-CE1 3.48Å; I329-Y347 VanDerWaalsContact CG2-CE1 3.48Å; I329-Y347 HydrophobicContact CG2-CE2 3.93Å; I329-Y347 HydrophobicContact CG2-CG 3.78Å; I329-C358 VanDerWaalsContact CG2-SG 3.6Å
330K97.9Very high93.9Very high4 Ų425.6 Ų25.62%0.01713%0.129CC..Hα-helixtrans-65.5-20.5180-62-171.3177.667.30112.8S201 P203 H293 T295 S328 H332 G334 H335 E344S201-K330 WeakPolarHBondContact CB-O 3.48Å; S201-K330 VanDerWaalsContact OG-C 3.3Å; S201-K330 PolarHBondContact OG-O 3.22Å; P203-K330 HydrophobicContact CG-CB 4.45Å; H293-K330 VanDerWaalsContact O-CD 3.27Å; H293-K330 WeakPolarHBondContact O-CD 3.35Å; H293-K330 WeakPolarHBondContact O-CE 3.39Å; H293-K330 PolarHBondContact O-NZ 3.18Å; T295-K330 HydrophobicContact CG2-CD 3.62Å; S328-K330 PolarHBondContact O-N 3.27Å; S328-K330 PolarHBondContact OG-N 2.88Å; K330-H332 PolarHBondContact O-N 3.17Å; K330-G334 WeakPolarHBondContact CA-O 3.28Å; K330-G334 WeakPolarHBondContact CB-O 3.4Å; K330-G334 WeakPolarHBondContact O-CA 3.35Å; K330-G334 PolarHBondContact O-N 3.42Å; K330-H335 HydrophobicContact CD-CB 4.12Å; K330-H335 VanDerWaalsContact CE-ND1 3.25Å; K330-H335 WeakPolarHBondContact CE-ND1 3.5Å; K330-E344 IonicContact NZ-OE1 3.1Å; K330-E344 PolarHBondContact NZ-OE1 3.03Å; K330-E344 IonicContact NZ-OE2 3.33Å; K330-E344 PolarHBondContact NZ-OE2 3.49Å
331G96.2Very high95.2Very high7 Ų719.6 Ų19.67%0.07211%0.105CC..Hα-helixtrans-56-39.6167.800000112.1I329 L361I329-G331 PolarHBondContact O-N 3.01Å; G331-L361 VanDerWaalsContact O-CD2 3.27Å; G331-L361 WeakPolarHBondContact O-CD2 3.28Å
332H95.1Very high96.5Very high79 Ų7913.8 Ų13.837%0.3668%0.078SC..Hα-helixtrans-86.9-35.6-176.4-50.191.5000113.9I329 K330 G359I329-H332 PolarHBondContact O-N 3.4Å; I329-H332 PolarHBondContact O-ND1 3.16Å; K330-H332 PolarHBondContact O-N 3.17Å; H332-G359 PolarHBondContact CE1-O 3.48Å
333L95.6Very high97.3Very high85 Ų8514 Ų1445%0.4458%0.079SC..Hα-helixtrans-110.3-8.5-169.6-59.9179.2000113.7S214 I329 I343S214-L333 WeakPolarHBondContact CB-O 3.4Å; S214-L333 PolarHBondContact OG-O 3.37Å; I329-L333 HydrophobicContact CD1-CD1 4.13Å; I329-L333 PolarHBondContact O-N 3.41Å; L333-I343 HydrophobicContact CD1-CG2 3.78Å
334G97.3Very high97.7Very high8 Ų811.8 Ų11.88%0.0826%0.064CC..  trans67.7-161.8-161.200000111.5K330K330-G334 WeakPolarHBondContact CA-O 3.28Å; K330-G334 WeakPolarHBondContact CB-O 3.4Å; K330-G334 WeakPolarHBondContact O-CA 3.35Å; K330-G334 PolarHBondContact O-N 3.42Å
335H98.4Very high97.9Very high3 Ų312 Ų121%0.0147%0.065CC..BIsolated β-bridgetrans-112.5106.4-178.7-173.521.6000111.6C144 F211 V212 S214 H293 K330 L337C144-H335 PolarHBondContact SG-NE2 3.48Å; F211-H335 HydrophobicContact CB-CB 4.17Å; F211-H335 HydrophobicContact CD2-CB 3.9Å; F211-H335 HydrophobicContact CG-CB 4.3Å; V212-H335 PolarHBondContact O-N 2.92Å; S214-H335 PolarHBondContact N-O 3.3Å; H293-H335 AromaticContact CE1-CE1 3.92Å; H293-H335 AromaticContact CE1-NE2 3.96Å; K330-H335 HydrophobicContact CD-CB 4.12Å; K330-H335 VanDerWaalsContact CE-ND1 3.25Å; K330-H335 WeakPolarHBondContact CE-ND1 3.5Å; H335-L337 PolarHBondContact ND1-N 3.17Å; H335-L337 PolarHBondContact O-N 3.28Å; H335-L337 VanDerWaalsContact O-N 3.12Å
336C98Very high98Very high7 Ų714.3 Ų14.35%0.0478%0.079CC..  trans-83.131.9178.9-47.20000113.9E172 A338 A339 A340 I343E172-C336 VanDerWaalsContact CB-O 3.23Å; E172-C336 WeakPolarHBondContact CB-O 3.12Å; C336-A338 PolarHBondContact O-N 3.03Å; C336-A338 VanDerWaalsContact O-N 3.13Å; C336-A339 HydrophobicContact CB-CB 4Å; C336-A339 WeakPolarHBondContact O-CB 3.43Å; C336-A339 PolarHBondContact O-N 3.32Å; C336-A340 PolarHBondContact O-N 3.27Å; C336-I343 HydrophobicContact CB-CD1 3.81Å
337L97.9Very high98Very high7 Ų716 Ų164%0.0379%0.086CC..G310 helixtrans36.7-112.6-178.1-46.8178000113.7L89 E172 P174 F183 F211 L213 H335 A339 A340L89-L337 HydrophobicContact CD1-CD1 3.74Å; L89-L337 HydrophobicContact CG-CD1 4.35Å; E172-L337 HydrophobicContact CG-CB 3.91Å; E172-L337 HydrophobicContact CG-CD1 4.25Å; E172-L337 HydrophobicContact CG-CG 4.31Å; P174-L337 HydrophobicContact CB-CD1 3.95Å; P174-L337 HydrophobicContact CG-CD1 3.94Å; P174-L337 HydrophobicContact CG-CG 4.46Å; F183-L337 HydrophobicContact CE2-CD1 4.11Å; F183-L337 HydrophobicContact CZ-CD1 4.11Å; F183-L337 HydrophobicContact CZ-CD2 4.28Å; F211-L337 HydrophobicContact CE2-CD2 4.06Å; F211-L337 HydrophobicContact CZ-CD2 4.13Å; L213-L337 HydrophobicContact CD1-CD1 3.79Å; L213-L337 HydrophobicContact CD1-CD2 3.89Å; L213-L337 HydrophobicContact CD1-CG 3.82Å; H335-L337 PolarHBondContact ND1-N 3.17Å; H335-L337 PolarHBondContact O-N 3.28Å; H335-L337 VanDerWaalsContact O-N 3.12Å; L337-A339 VanDerWaalsContact C-N 3.26Å; L337-A339 PolarHBondContact O-N 3.48Å; L337-A340 WeakPolarHBondContact O-CB 3.29Å; L337-A340 PolarHBondContact O-N 3.04Å
338A98.4Very high98Very high0 Ų016 Ų160%09%0.086CC..G310 helixtrans-59.9-32.1-177.100000113.7G88 A143 G147 A170 E172 C336 A340G88-A338 VanDerWaalsContact N-CB 3.33Å; A143-A338 WeakPolarHBondContact O-CA 3.35Å; G147-A338 WeakPolarHBondContact CA-O 3.36Å; G147-A338 PolarHBondContact N-O 3.44Å; A170-A338 WeakPolarHBondContact CB-O 3.18Å; E172-A338 WeakPolarHBondContact OE2-CB 3.31Å; E172-A338 PolarHBondContact OE2-N 2.9Å; C336-A338 PolarHBondContact O-N 3.03Å; C336-A338 VanDerWaalsContact O-N 3.13Å; A338-A340 VanDerWaalsContact C-N 3.3Å; A338-A340 PolarHBondContact O-N 3.32Å
339A98.7Very high98Very high0 Ų016.9 Ų16.90%09%0.093CC..G310 helixtrans-74.5-18.6178.100000113.4E172 G216 C336 L337 G341 A342 I343E172-A339 HydrophobicContact CB-CB 4.04Å; G216-A339 VanDerWaalsContact O-CB 3.26Å; G216-A339 WeakPolarHBondContact O-CB 3.34Å; C336-A339 HydrophobicContact CB-CB 4Å; C336-A339 WeakPolarHBondContact O-CB 3.43Å; C336-A339 PolarHBondContact O-N 3.32Å; L337-A339 VanDerWaalsContact C-N 3.26Å; L337-A339 PolarHBondContact O-N 3.48Å; A339-G341 PolarHBondContact O-N 3.26Å; A339-A342 PolarHBondContact O-N 2.96Å; A339-A342 VanDerWaalsContact O-N 3.1Å; A339-I343 HydrophobicContact CB-CD1 4.04Å; A339-I343 WeakPolarHBondContact O-CG1 3.44Å; A339-I343 PolarHBondContact O-N 2.9Å
340A98.7Very high98Very high4 Ų419.4 Ų19.43%0.03311%0.106CC..Hα-helixtrans-56.1-50.3-170.900000112.5C336 L337 A338 A342 I343 E344C336-A340 PolarHBondContact O-N 3.27Å; L337-A340 WeakPolarHBondContact O-CB 3.29Å; L337-A340 PolarHBondContact O-N 3.04Å; A338-A340 VanDerWaalsContact C-N 3.3Å; A338-A340 PolarHBondContact O-N 3.32Å; A340-A342 VanDerWaalsContact C-N 3.25Å; A340-A342 PolarHBondContact O-N 3.38Å; A340-I343 PolarHBondContact O-N 2.91Å; A340-E344 VanDerWaalsContact O-CB 3.3Å; A340-E344 WeakPolarHBondContact O-CB 3.32Å; A340-E344 VanDerWaalsContact O-CG 3.3Å; A340-E344 WeakPolarHBondContact O-CG 3.42Å; A340-E344 PolarHBondContact O-N 2.83Å
341G98.8Very high98Very high0 Ų019.4 Ų19.40%011%0.107CC..Hα-helixtrans-62.4-30-179.300000114.2A339 T345A339-G341 PolarHBondContact O-N 3.26Å; G341-T345 WeakPolarHBondContact O-CB 3.32Å; G341-T345 PolarHBondContact O-N 3.13Å; G341-T345 PolarHBondContact O-OG1 3.32Å
342A98.9Very high98Very high0 Ų019.1 Ų19.10%010%0.103CC..Hα-helixtrans-75.2-44.1175.200000111.8I151 A170 A218 A339 A340 E344 T345 V346I151-A342 HydrophobicContact CD1-CB 4.13Å; A170-A342 HydrophobicContact CB-CB 4.47Å; A218-A342 HydrophobicContact CB-CB 3.91Å; A339-A342 PolarHBondContact O-N 2.96Å; A339-A342 VanDerWaalsContact O-N 3.1Å; A340-A342 VanDerWaalsContact C-N 3.25Å; A340-A342 PolarHBondContact O-N 3.38Å; A342-E344 VanDerWaalsContact C-N 3.28Å; A342-E344 PolarHBondContact O-N 3.19Å; A342-T345 PolarHBondContact O-N 3.46Å; A342-V346 PolarHBondContact O-N 3.48Å
343I98.9Very high98.1Very high28 Ų2818.9 Ų18.914%0.14411%0.105CC..Hα-helixtrans-60.4-43.3175.2-66.2165.3000110A218 I329 L333 C336 A339 A340 T345 V346 Y347A218-I343 HydrophobicContact CB-CB 4.27Å; A218-I343 HydrophobicContact CB-CG1 3.65Å; I329-I343 HydrophobicContact CD1-CG2 4.07Å; L333-I343 HydrophobicContact CD1-CG2 3.78Å; C336-I343 HydrophobicContact CB-CD1 3.81Å; A339-I343 HydrophobicContact CB-CD1 4.04Å; A339-I343 WeakPolarHBondContact O-CG1 3.44Å; A339-I343 PolarHBondContact O-N 2.9Å; A340-I343 PolarHBondContact O-N 2.91Å; I343-T345 VanDerWaalsContact C-N 3.32Å; I343-T345 PolarHBondContact O-N 3.09Å; I343-V346 PolarHBondContact O-N 2.83Å; I343-Y347 PolarHBondContact O-N 3.45Å
344E98.8Very high98Very high2 Ų220.1 Ų20.11%0.00911%0.108CC..Hα-helixtrans-64.9-35.9177.4-77.4175151.100112.3N291 I329 K330 A340 A342 Y347 S348 T422N291-E344 WeakPolarHBondContact ND2-CB 3.34Å; N291-E344 PolarHBondContact ND2-O 3.32Å; N291-E344 VanDerWaalsContact ND2-O 3.16Å; I329-E344 HydrophobicContact CD1-CG 3.69Å; I329-E344 HydrophobicContact CG1-CG 3.83Å; K330-E344 IonicContact NZ-OE1 3.1Å; K330-E344 PolarHBondContact NZ-OE1 3.03Å; K330-E344 IonicContact NZ-OE2 3.33Å; K330-E344 PolarHBondContact NZ-OE2 3.49Å; A340-E344 VanDerWaalsContact O-CB 3.3Å; A340-E344 WeakPolarHBondContact O-CB 3.32Å; A340-E344 VanDerWaalsContact O-CG 3.3Å; A340-E344 WeakPolarHBondContact O-CG 3.42Å; A340-E344 PolarHBondContact O-N 2.83Å; A342-E344 VanDerWaalsContact C-N 3.28Å; A342-E344 PolarHBondContact O-N 3.19Å; E344-Y347 PolarHBondContact O-N 3.19Å; E344-S348 VanDerWaalsContact O-CB 3.24Å; E344-S348 WeakPolarHBondContact O-CB 3.47Å; E344-S348 PolarHBondContact O-N 3.49Å; E344-S348 PolarHBondContact O-OG 3.15Å; E344-T422 HydrophobicContact CB-CG2 3.87Å
345T98.9Very high97.9Very high5 Ų523.3 Ų23.33%0.03112%0.123CC..Hα-helixtrans-67.4-42.8173.9-62.30000111.9I151 V220 G341 A342 I343 S348 A349 L434 I436I151-T345 HydrophobicContact CD1-CG2 3.66Å; I151-T345 WeakPolarHBondContact CD1-OG1 3.31Å; I151-T345 HydrophobicContact CG2-CG2 4.31Å; V220-T345 HydrophobicContact CG2-CG2 4.3Å; G341-T345 WeakPolarHBondContact O-CB 3.32Å; G341-T345 PolarHBondContact O-N 3.13Å; G341-T345 PolarHBondContact O-OG1 3.32Å; A342-T345 PolarHBondContact O-N 3.46Å; I343-T345 VanDerWaalsContact C-N 3.32Å; I343-T345 PolarHBondContact O-N 3.09Å; T345-S348 PolarHBondContact O-N 2.8Å; T345-A349 WeakPolarHBondContact O-CB 3.32Å; T345-A349 PolarHBondContact O-N 3.3Å; T345-L434 HydrophobicContact CG2-CD2 3.91Å; T345-I436 HydrophobicContact CG2-CD1 3.74Å
346V98.8Very high97.7Very high51 Ų5129.4 Ų29.431%0.30915%0.146SC..Hα-helixtrans-61.1-46.5174.6171.40000110.7A218 V220 A342 I343 S348 A349 L350A218-V346 HydrophobicContact CB-CG2 3.97Å; V220-V346 HydrophobicContact CG2-CG2 3.72Å; A342-V346 PolarHBondContact O-N 3.48Å; I343-V346 PolarHBondContact O-N 2.83Å; V346-S348 PolarHBondContact O-N 2.89Å; V346-A349 PolarHBondContact O-N 3.24Å; V346-L350 HydrophobicContact CG1-CD1 4.13Å; V346-L350 WeakPolarHBondContact O-CG 3.31Å; V346-L350 PolarHBondContact O-N 3.29Å
347Y98.4Very high97.6Very high36 Ų3629.1 Ų29.114%0.14115%0.145CC..Hα-helixtrans-57.2-48173.7160.1-101.8000111.8H289 N291 N327 I329 I343 E344 A349 L350 S351 I357 C358H289-Y347 AromaticContact CE1-CE1 3.67Å; H289-Y347 AromaticContact CE1-CZ 3.99Å; N291-Y347 HydrophobicContact CB-CE1 4.28Å; N291-Y347 VanDerWaalsContact ND2-CD1 3.32Å; N291-Y347 WeakPolarHBondContact ND2-CD1 3.13Å; N327-Y347 PolarHBondContact ND2-OH 2.9Å; I329-Y347 HydrophobicContact CD1-CD1 4.23Å; I329-Y347 HydrophobicContact CD1-CG 4.04Å; I329-Y347 HydrophobicContact CG2-CD1 3.55Å; I329-Y347 HydrophobicContact CG2-CD2 3.96Å; I329-Y347 HydrophobicContact CG2-CE1 3.48Å; I329-Y347 VanDerWaalsContact CG2-CE1 3.48Å; I329-Y347 HydrophobicContact CG2-CE2 3.93Å; I329-Y347 HydrophobicContact CG2-CG 3.78Å; I343-Y347 PolarHBondContact O-N 3.45Å; E344-Y347 PolarHBondContact O-N 3.19Å; Y347-A349 PolarHBondContact O-N 3.13Å; Y347-L350 PolarHBondContact O-N 2.89Å; Y347-S351 VanDerWaalsContact O-CB 3.3Å; Y347-S351 WeakPolarHBondContact O-CB 3.33Å; Y347-S351 PolarHBondContact O-N 3.41Å; Y347-I357 WeakPolarHBondContact OH-CG2 3.48Å; Y347-C358 HydrophobicContact CE2-CB 4.35Å; Y347-C358 PolarHBondContact OH-N 3.33Å; Y347-C358 VanDerWaalsContact OH-N 3.12Å
348S98.7Very high97.4Very high0 Ų030 Ų300%015%0.151CC..Hα-helixtrans-61.8-41.4179.5-75.10000112.5N291 E344 T345 V346 S351 V352 T422N291-S348 PolarHBondContact ND2-OG 2.92Å; N291-S348 VanDerWaalsContact ND2-OG 3.08Å; E344-S348 VanDerWaalsContact O-CB 3.24Å; E344-S348 WeakPolarHBondContact O-CB 3.47Å; E344-S348 PolarHBondContact O-N 3.49Å; E344-S348 PolarHBondContact O-OG 3.15Å; T345-S348 PolarHBondContact O-N 2.8Å; V346-S348 PolarHBondContact O-N 2.89Å; S348-S351 WeakPolarHBondContact O-CB 3.4Å; S348-S351 PolarHBondContact O-N 3.24Å; S348-V352 PolarHBondContact O-N 3.35Å; S348-T422 VanDerWaalsContact CB-OG1 3.3Å; S348-T422 WeakPolarHBondContact CB-OG1 3.49Å; S348-T422 PolarHBondContact OG-OG1 2.96Å
349A98.6Very high97.2Very high18 Ų1830.1 Ų30.115%0.14915%0.152CC..Hα-helixtrans-64-42.5175.200000112I243 A244 T345 V346 Y347 V352 N353 I436I243-A349 HydrophobicContact CG2-CB 4.41Å; A244-A349 HydrophobicContact CB-CB 3.97Å; T345-A349 WeakPolarHBondContact O-CB 3.32Å; T345-A349 PolarHBondContact O-N 3.3Å; V346-A349 PolarHBondContact O-N 3.24Å; Y347-A349 PolarHBondContact O-N 3.13Å; A349-V352 WeakPolarHBondContact O-CG2 3.26Å; A349-N353 WeakPolarHBondContact O-CB 3.29Å; A349-N353 PolarHBondContact O-N 2.91Å; A349-I436 HydrophobicContact CB-CG2 4.44Å
350L97.5Very high97.2Very high64 Ų6430.1 Ų30.134%0.33515%0.152SC..Hα-helixtrans-67.8-36.8174.4-68.1175000111.9V346 Y347 N353 Q354V346-L350 HydrophobicContact CG1-CD1 4.13Å; V346-L350 WeakPolarHBondContact O-CG 3.31Å; V346-L350 PolarHBondContact O-N 3.29Å; Y347-L350 PolarHBondContact O-N 2.89Å; L350-N353 PolarHBondContact O-N 3.28Å; L350-Q354 VanDerWaalsContact O-CB 3.26Å; L350-Q354 WeakPolarHBondContact O-CB 3.34Å; L350-Q354 WeakPolarHBondContact O-CG 3.46Å; L350-Q354 PolarHBondContact O-N 3.46Å
351S97.2Very high97.1Very high4 Ų432.1 Ų32.13%0.02816%0.162CC..Hα-helixtrans-60.1-50.7177.8174.30000111.2Y347 S348 N355 R356 W412Y347-S351 VanDerWaalsContact O-CB 3.3Å; Y347-S351 WeakPolarHBondContact O-CB 3.33Å; Y347-S351 PolarHBondContact O-N 3.41Å; S348-S351 WeakPolarHBondContact O-CB 3.4Å; S348-S351 PolarHBondContact O-N 3.24Å; S351-N355 WeakPolarHBondContact O-CA 3.34Å; S351-N355 PolarHBondContact O-N 3.01Å; S351-R356 VanDerWaalsContact CA-O 3.25Å; S351-R356 WeakPolarHBondContact CA-O 3.43Å; S351-R356 VanDerWaalsContact CB-O 3.3Å; S351-R356 WeakPolarHBondContact CB-O 3.47Å; S351-R356 PolarHBondContact O-N 3.2Å; S351-R356 PolarHBondContact OG-O 3.44Å; S351-W412 PolarHBondContact O-NE1 3.12Å; S351-W412 WeakPolarHBondContact OG-CZ2 3.42Å; S351-W412 PolarHBondContact OG-NE1 3.45Å
352V97Very high97Very high0 Ų032.4 Ų32.40%016%0.164CC..Hα-helixtrans-65.9-38.3176-64.20000111.5A244 S348 A349 W412 R418 V420 I436 E438A244-V352 HydrophobicContact CB-CG2 3.65Å; S348-V352 PolarHBondContact O-N 3.35Å; A349-V352 WeakPolarHBondContact O-CG2 3.26Å; V352-W412 HydrophobicContact CB-CH2 4.44Å; V352-W412 HydrophobicContact CB-CZ2 4.17Å; V352-W412 HydrophobicContact CG1-CH2 3.37Å; V352-W412 HydrophobicContact CG1-CZ2 3.45Å; V352-W412 VanDerWaalsContact CG1-CZ2 3.45Å; V352-W412 HydrophobicContact CG1-CZ3 4.43Å; V352-R418 HydrophobicContact CB-CB 4.27Å; V352-R418 HydrophobicContact CG1-CB 4.28Å; V352-R418 WeakPolarHBondContact CG1-O 3.28Å; V352-R418 PolarHBondContact O-NE 3.34Å; V352-R418 PolarHBondContact O-NH2 3.15Å; V352-V420 HydrophobicContact CG1-CB 4.25Å; V352-V420 HydrophobicContact CG1-CG1 3.64Å; V352-I436 HydrophobicContact CG2-CG2 4.15Å; V352-E438 HydrophobicContact CB-CB 4.36Å
353N95.8Very high97Very high74 Ų7432.5 Ų32.540%0.39616%0.164SC..Hα-helixtrans-68.4-42.3-178.4-176.9-99000112.5I243 A349 L350I243-N353 HydrophobicContact CG2-CB 3.76Å; I243-N353 PolarHBondContact O-ND2 3.38Å; A349-N353 WeakPolarHBondContact O-CB 3.29Å; A349-N353 PolarHBondContact O-N 2.91Å; L350-N353 PolarHBondContact O-N 3.28Å
354Q94.1Very high96.9Very high111 Ų11135.6 Ų35.652%0.51918%0.178SC..Hα-helixtrans-96.6-3.5-172-61.6-178.5-8.900113.7L350 R356L350-Q354 VanDerWaalsContact O-CB 3.26Å; L350-Q354 WeakPolarHBondContact O-CB 3.34Å; L350-Q354 WeakPolarHBondContact O-CG 3.46Å; L350-Q354 PolarHBondContact O-N 3.46Å; Q354-R356 HydrophobicContact CB-CG 4.44Å; Q354-R356 WeakPolarHBondContact O-CG 3.15Å
355N94.6Very high96.8Very high75 Ų7539.9 Ų39.940%0.40120%0.201SC..THydrogen-bonded Turntrans57.747.4-176-169.820.2000112.3S351 W412 R418S351-N355 WeakPolarHBondContact O-CA 3.34Å; S351-N355 PolarHBondContact O-N 3.01Å; N355-W412 WeakPolarHBondContact OD1-CB 3.46Å; N355-W412 VanDerWaalsContact OD1-CG 3.28Å; N355-R418 VanDerWaalsContact OD1-CD 3.31Å; N355-R418 WeakPolarHBondContact OD1-CD 3.4Å
356R94.1Very high96.7Very high131 Ų13142 Ų4249%0.49422%0.215SC..  trans-143132-180-57.4-175.9174.4-148.47.7112.1S351 Q354 Q409S351-R356 VanDerWaalsContact CA-O 3.25Å; S351-R356 WeakPolarHBondContact CA-O 3.43Å; S351-R356 VanDerWaalsContact CB-O 3.3Å; S351-R356 WeakPolarHBondContact CB-O 3.47Å; S351-R356 PolarHBondContact O-N 3.2Å; S351-R356 PolarHBondContact OG-O 3.44Å; Q354-R356 HydrophobicContact CB-CG 4.44Å; Q354-R356 WeakPolarHBondContact O-CG 3.15Å; R356-Q409 HydrophobicContact CB-CG 4.16Å; R356-Q409 HydrophobicContact CG-CG 4.46Å
357I96.4Very high96.6Very high2 Ų240.3 Ų40.31%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-115.7139.5173.4-57.7168.2000107.8H289 V325 Y347 Q409 V410 W412H289-I357 HydrophobicContact CB-CD1 3.82Å; V325-I357 HydrophobicContact CB-CD1 3.83Å; V325-I357 HydrophobicContact CG1-CD1 4.07Å; V325-I357 HydrophobicContact CG1-CG2 3.8Å; V325-I357 HydrophobicContact CG2-CD1 3.98Å; Y347-I357 WeakPolarHBondContact OH-CG2 3.48Å; I357-Q409 CarbonylContact O-C 3.55Å; I357-Q409 WeakPolarHBondContact O-CA 3.18Å; I357-V410 HydrophobicContact CB-CB 4.49Å; I357-V410 PolarHBondContact N-O 3.1Å; I357-V410 PolarHBondContact O-N 3.12Å; I357-W412 HydrophobicContact CD1-CD2 3.89Å; I357-W412 HydrophobicContact CD1-CE3 4.39Å; I357-W412 HydrophobicContact CD1-CG 4.01Å; I357-W412 HydrophobicContact CD1-CZ2 4.5Å; I357-W412 HydrophobicContact CG1-CD2 4.23Å; I357-W412 HydrophobicContact CG1-CG 4.26Å; I357-W412 HydrophobicContact CG1-CZ2 4.35Å
358C93.9Very high96.5Very high26 Ų2640.9 Ų40.918%0.17621%0.213CC..EExtended strand (participates in β ladder)trans-86.1151174.270.90000111.7N327 I329 Y347 I408N327-C358 PolarHBondContact ND2-O 3.4Å; N327-C358 PolarHBondContact ND2-SG 3.48Å; I329-C358 VanDerWaalsContact CG2-SG 3.6Å; Y347-C358 HydrophobicContact CE2-CB 4.35Å; Y347-C358 PolarHBondContact OH-N 3.33Å; Y347-C358 VanDerWaalsContact OH-N 3.12Å; C358-I408 WeakPolarHBondContact CA-O 3.23Å
359G95.3Very high96.3Very high2 Ų244 Ų442%0.02123%0.229CC..  trans-69.2179.2174.500000114.1H332 E407 I408H332-G359 PolarHBondContact CE1-O 3.48Å; G359-E407 WeakPolarHBondContact CA-O 3.28Å; G359-E407 PolarHBondContact N-O 3.22Å; G359-I408 PolarHBondContact N-O 2.83Å; G359-I408 VanDerWaalsContact N-O 3.12Å
360N97.9Very high96.2Very high0 Ų050.7 Ų50.70%025%0.251CS..  trans-92.9105.4173-65.5-74.9000110.2I326 N327 S328 N362 L363 P403 H405I326-N360 PolarHBondContact O-ND2 3.48Å; I326-N360 VanDerWaalsContact O-ND2 3.15Å; N327-N360 WeakPolarHBondContact CA-OD1 3.39Å; S328-N360 PolarHBondContact N-OD1 3.46Å; N360-N362 PolarHBondContact O-N 2.99Å; N360-L363 HydrophobicContact CB-CB 3.66Å; N360-L363 HydrophobicContact CB-CD2 3.71Å; N360-L363 HydrophobicContact CB-CG 4.33Å; N360-L363 WeakPolarHBondContact O-CB 3.23Å; N360-L363 PolarHBondContact O-N 2.72Å; N360-P403 VanDerWaalsContact CB-O 3.27Å; N360-P403 WeakPolarHBondContact CB-O 3.23Å; N360-P403 PolarHBondContact N-O 2.88Å; N360-P403 PolarHBondContact ND2-O 3.25Å; N360-H405 WeakPolarHBondContact O-CA 3.2Å; N360-H405 PolarHBondContact O-N 3.3Å
361L96.5Very high96.1Very high45 Ų4550.4 Ų50.424%0.23625%0.248CC..THydrogen-bonded Turntrans-61131.7177-163.875.1000110.8G331 L363 H405G331-L361 VanDerWaalsContact O-CD2 3.27Å; G331-L361 WeakPolarHBondContact O-CD2 3.28Å; L361-L363 PolarHBondContact O-N 3.05Å; L361-H405 VanDerWaalsContact CD1-CE1 3.48Å; L361-H405 WeakPolarHBondContact CD1-CE1 3.25Å; L361-H405 VanDerWaalsContact CD1-ND1 3.33Å; L361-H405 WeakPolarHBondContact CD1-ND1 3.48Å
362N97.4Very high95.9Very high7 Ų750.3 Ų50.34%0.03725%0.247CC..THydrogen-bonded Turntrans7112177.8-56.4-47.4000114.3E198 S201 R202 N360 H364 H405E198-N362 PolarHBondContact O-ND2 3Å; S201-N362 PolarHBondContact O-ND2 2.89Å; R202-N362 HydrophobicContact CB-CB 3.63Å; N360-N362 PolarHBondContact O-N 2.99Å; N362-H364 PolarHBondContact O-CD2 2.8Å; N362-H364 PolarHBondContact O-N 3.24Å; N362-H405 PolarHBondContact N-ND1 2.8Å
363L97.8Very high95.7Very high1 Ų152 Ų521%0.00526%0.256CS..  trans-79.498.5168.8-17759.8000110.2F204 D205 N360 L361 P366 L402 H405F204-L363 HydrophobicContact CB-CD1 4.02Å; D205-L363 HydrophobicContact CB-CD1 4.15Å; N360-L363 HydrophobicContact CB-CB 3.66Å; N360-L363 HydrophobicContact CB-CD2 3.71Å; N360-L363 HydrophobicContact CB-CG 4.33Å; N360-L363 WeakPolarHBondContact O-CB 3.23Å; N360-L363 PolarHBondContact O-N 2.72Å; L361-L363 PolarHBondContact O-N 3.05Å; L363-P366 HydrophobicContact CD1-CB 4.11Å; L363-P366 HydrophobicContact CD1-CG 4Å; L363-P366 HydrophobicContact CD2-CG 4.45Å; L363-P366 HydrophobicContact CG-CG 4.22Å; L363-L402 HydrophobicContact CD2-CB 4.12Å; L363-H405 PolarHBondContact O-N 3.16Å
364H96.7Very high95.5Very high94 Ų9452.3 Ų52.344%0.43526%0.255SS..SBendtrans-106.3-42.5176.4-61.4-69.1000111.6D205 N362 H405D205-H364 PolarHBondContact OD2-N 2.82Å; N362-H364 PolarHBondContact O-CD2 2.8Å; N362-H364 PolarHBondContact O-N 3.24Å; H364-H405 AromaticContact CE1-CD2 3.9Å; H364-H405 AromaticContact CE1-CG 3.95Å
365N96.4Very high95.4Very high92 Ų9247.8 Ų47.849%0.49224%0.235SC..SBendtrans-125.693.9-178.2-60.1-67.7000108.9D205 S206D205-N365 CarbonylContact C-O 3.54Å; D205-N365 WeakPolarHBondContact CA-O 3.46Å; D205-N365 PolarHBondContact OD2-N 3.44Å; S206-N365 WeakPolarHBondContact CB-O 3.42Å; S206-N365 PolarHBondContact N-O 3.45Å; S206-N365 WeakPolarHBondContact OG-CB 3.13Å
366P97.1Very high95.2Very high50 Ų5044.2 Ų44.233%0.32522%0.216SC..BIsolated β-bridgetrans-62.3156.6-178-22.533.3000113.6F204 L363 S368F204-P366 CarbonylContact O-C 3.5Å; L363-P366 HydrophobicContact CD1-CB 4.11Å; L363-P366 HydrophobicContact CD1-CG 4Å; L363-P366 HydrophobicContact CD2-CG 4.45Å; L363-P366 HydrophobicContact CG-CG 4.22Å; P366-S368 PolarHBondContact O-N 2.88Å
367I97.6Very high94.9Very high14 Ų1443 Ų437%0.07221%0.214CC..  trans-45.7130.8165.9-72.1161.1000109.9F204 R208 D301 L302 L305 E371 L372F204-I367 HydrophobicContact CB-CD1 4.34Å; F204-I367 HydrophobicContact CD1-CD1 4.33Å; F204-I367 WeakPolarHBondContact O-CG1 3.24Å; F204-I367 PolarHBondContact O-N 2.97Å; R208-I367 VanDerWaalsContact CZ-CD1 3.47Å; R208-I367 VanDerWaalsContact CZ-CG1 3.41Å; D301-I367 HydrophobicContact CB-CD1 4.13Å; L302-I367 HydrophobicContact CB-CD1 4.49Å; L302-I367 HydrophobicContact CD1-CG2 3.61Å; L305-I367 HydrophobicContact CD1-CB 4.28Å; L305-I367 HydrophobicContact CD1-CD1 3.72Å; I367-E371 HydrophobicContact CG2-CB 3.97Å; I367-L372 HydrophobicContact CG2-CD2 4.23Å; I367-L372 HydrophobicContact CG2-CG 4.02Å
368S96.4Very high94.2Very high48 Ų4846.6 Ų46.634%0.33624%0.239SC..  trans-74.7151.4-17967.40000112P366 Y370 E371 L372P366-S368 PolarHBondContact O-N 2.88Å; S368-Y370 PolarHBondContact O-N 3.21Å; S368-E371 WeakPolarHBondContact CB-OE1 3.22Å; S368-E371 PolarHBondContact N-OE1 2.91Å; S368-E371 PolarHBondContact O-N 3.42Å; S368-E371 VanDerWaalsContact O-N 3.13Å; S368-E371 WeakPolarHBondContact OG-CG 3.16Å; S368-E371 PolarHBondContact OG-N 3.43Å; S368-E371 PolarHBondContact OG-OE1 3.21Å; S368-L372 PolarHBondContact O-N 3.2Å
369I95Very high93.2Very high65 Ų6547.9 Ų47.933%0.33324%0.244SC..Hα-helixtrans-57.8-30.8170.9-64.5-59.1000111.6L372 M373 I393 F396 K397I369-L372 HydrophobicContact CD1-CD1 4.19Å; I369-L372 PolarHBondContact O-N 2.95Å; I369-M373 WeakPolarHBondContact O-CB 3.32Å; I369-M373 PolarHBondContact O-N 3.15Å; I369-I393 HydrophobicContact CG2-CD1 4.36Å; I369-I393 HydrophobicContact CG2-CG2 3.3Å; I369-F396 HydrophobicContact CD1-CD1 4.42Å; I369-K397 HydrophobicContact CD1-CB 4.35Å
370Y94.8Very high91.8Very high159 Ų15949.3 Ų49.362%0.62425%0.254SS*.Hα-helixtrans-61.6-47.7175.3178.8-92.5000111.6S368 L372 M373 E374S368-Y370 PolarHBondContact O-N 3.21Å; Y370-L372 VanDerWaalsContact C-N 3.34Å; Y370-L372 PolarHBondContact O-N 3.13Å; Y370-M373 PolarHBondContact O-N 3.24Å; Y370-E374 HydrophobicContact CD1-CG 4.24Å; Y370-E374 HydrophobicContact CE1-CG 3.78Å; Y370-E374 HydrophobicContact CE2-CG 4.47Å; Y370-E374 WeakPolarHBondContact O-CG 3.34Å; Y370-E374 PolarHBondContact O-N 2.7Å
371E95.2Very high89.8Confident59 Ų5955.7 Ų55.728%0.27630%0.299SS..Hα-helixtrans-60-43.2176.8-72.6163.4-94.800112R208 L302 I367 S368 E374 V375R208-E371 IonicContact NH2-OE2 2.82Å; L302-E371 HydrophobicContact CD1-CB 3.76Å; L302-E371 HydrophobicContact CD2-CB 4.36Å; I367-E371 HydrophobicContact CG2-CB 3.97Å; S368-E371 WeakPolarHBondContact CB-OE1 3.22Å; S368-E371 PolarHBondContact N-OE1 2.91Å; S368-E371 PolarHBondContact O-N 3.42Å; S368-E371 VanDerWaalsContact O-N 3.13Å; S368-E371 WeakPolarHBondContact OG-CG 3.16Å; S368-E371 PolarHBondContact OG-N 3.43Å; S368-E371 PolarHBondContact OG-OE1 3.21Å; E371-E374 PolarHBondContact O-N 3.07Å; E371-V375 PolarHBondContact O-N 3.28Å
372L94.5Very high87.6Confident1 Ų156.1 Ų56.11%0.00531%0.305CS..Hα-helixtrans-61.5-45.5176.6-67.7171.9000111.4L302 L305 I367 S368 I369 Y370 E374 V375 L376 I393 F396L302-L372 HydrophobicContact CD1-CD2 3.79Å; L302-L372 HydrophobicContact CD1-CG 4.31Å; L305-L372 HydrophobicContact CB-CD2 3.54Å; I367-L372 HydrophobicContact CG2-CD2 4.23Å; I367-L372 HydrophobicContact CG2-CG 4.02Å; S368-L372 PolarHBondContact O-N 3.2Å; I369-L372 HydrophobicContact CD1-CD1 4.19Å; I369-L372 PolarHBondContact O-N 2.95Å; Y370-L372 VanDerWaalsContact C-N 3.34Å; Y370-L372 PolarHBondContact O-N 3.13Å; L372-E374 VanDerWaalsContact C-N 3.3Å; L372-E374 PolarHBondContact O-N 3.05Å; L372-V375 PolarHBondContact O-N 3.24Å; L372-L376 WeakPolarHBondContact O-CG 3.34Å; L372-L376 PolarHBondContact O-N 3.13Å; L372-L376 VanDerWaalsContact O-N 3.08Å; L372-I393 HydrophobicContact CB-CD1 3.76Å; L372-F396 HydrophobicContact CD1-CD1 4.07Å; L372-F396 HydrophobicContact CD1-CE1 3.77Å; L372-F396 HydrophobicContact CD1-CZ 4.37Å
373M93.2Very high85.4Confident36 Ų3660.6 Ų60.618%0.17734%0.337CS..Hα-helixtrans-61.2-37.9179.1-177.563.583.100112.2I369 Y370 V375 L376 K377 N389 E390 I393I369-M373 WeakPolarHBondContact O-CB 3.32Å; I369-M373 PolarHBondContact O-N 3.15Å; Y370-M373 PolarHBondContact O-N 3.24Å; M373-V375 PolarHBondContact O-N 3.18Å; M373-L376 PolarHBondContact O-N 3.35Å; M373-K377 HydrophobicContact CG-CD 4.28Å; M373-K377 HydrophobicContact CG-CG 4.45Å; M373-K377 WeakPolarHBondContact O-CG 3.36Å; M373-K377 PolarHBondContact O-N 3Å; M373-K377 HydrophobicContact SD-CG 4.43Å; M373-N389 HydrophobicContact SD-CB 4.08Å; M373-E390 HydrophobicContact CE-CG 4.44Å; M373-I393 HydrophobicContact CE-CB 4.07Å; M373-I393 HydrophobicContact CE-CG1 3.61Å; M373-I393 HydrophobicContact CE-CG2 4.4Å; M373-I393 HydrophobicContact SD-CG1 4.24Å
374E91.7Very high83.4Confident81 Ų8165.8 Ų65.838%0.37937%0.369SS..Hα-helixtrans-64.2-38.6177.2-71-59.7106.400112.3Y370 E371 L372 K377 S378Y370-E374 HydrophobicContact CD1-CG 4.24Å; Y370-E374 HydrophobicContact CE1-CG 3.78Å; Y370-E374 HydrophobicContact CE2-CG 4.47Å; Y370-E374 WeakPolarHBondContact O-CG 3.34Å; Y370-E374 PolarHBondContact O-N 2.7Å; E371-E374 PolarHBondContact O-N 3.07Å; L372-E374 VanDerWaalsContact C-N 3.3Å; L372-E374 PolarHBondContact O-N 3.05Å; E374-K377 IonicContact OE1-NZ 3.96Å; E374-K377 PolarHBondContact OE1-NZ 3.31Å; E374-S378 PolarHBondContact O-N 3.1Å
375V91Very high82.6Confident16 Ų1662.4 Ų62.410%0.09736%0.356CS..Hα-helixtrans-65.1-46.3173.2179.70000111T263 L302 S306 E371 L372 M373 K377 S378 N379T263-V375 VanDerWaalsContact O-CG1 3.26Å; T263-V375 WeakPolarHBondContact O-CG1 3.14Å; L302-V375 HydrophobicContact CD1-CG2 4.31Å; L302-V375 HydrophobicContact CD2-CG2 3.61Å; L302-V375 HydrophobicContact CG-CG2 3.7Å; S306-V375 VanDerWaalsContact OG-CG1 3.28Å; S306-V375 WeakPolarHBondContact OG-CG1 3.49Å; E371-V375 PolarHBondContact O-N 3.28Å; L372-V375 PolarHBondContact O-N 3.24Å; M373-V375 PolarHBondContact O-N 3.18Å; V375-K377 VanDerWaalsContact C-N 3.35Å; V375-K377 PolarHBondContact O-N 2.78Å; V375-S378 WeakPolarHBondContact O-CB 3.3Å; V375-S378 PolarHBondContact O-N 3.4Å; V375-S378 VanDerWaalsContact O-N 3.11Å; V375-S378 PolarHBondContact O-OG 3.36Å; V375-N379 PolarHBondContact O-N 3.09Å; V375-N379 PolarHBondContact O-OD1 3.21Å
376L90.1Very high82Confident0 Ų063 Ų630%036%0.359CS..Hα-helixtrans-60.8-42.1-179.9-66.3175.1000112.4S306 Q310 L372 M373 S378 N379 S380 N389 C392 I393S306-L376 WeakPolarHBondContact OG-CD2 3.42Å; Q310-L376 HydrophobicContact CG-CD2 3.42Å; Q310-L376 VanDerWaalsContact CG-CD2 3.42Å; L372-L376 WeakPolarHBondContact O-CG 3.34Å; L372-L376 PolarHBondContact O-N 3.13Å; L372-L376 VanDerWaalsContact O-N 3.08Å; M373-L376 PolarHBondContact O-N 3.35Å; L376-S378 VanDerWaalsContact C-N 3.28Å; L376-S378 PolarHBondContact O-N 2.74Å; L376-N379 WeakPolarHBondContact O-CB 3.37Å; L376-N379 PolarHBondContact O-N 3.15Å; L376-N379 VanDerWaalsContact O-N 3.13Å; L376-S380 PolarHBondContact O-OG 3.38Å; L376-N389 HydrophobicContact CB-CB 4.15Å; L376-N389 PolarHBondContact O-ND2 3.23Å; L376-C392 HydrophobicContact CD1-CB 3.99Å; L376-I393 HydrophobicContact CD1-CD1 3.66Å; L376-I393 HydrophobicContact CD1-CG1 3.74Å
377K87.4Confident81.6Confident105 Ų10564.5 Ų64.546%0.45737%0.37SS..Hα-helixtrans-61.6-35.8175.2-73.5171.6-175.2163.60112.4M373 E374 V375 N379 S380M373-K377 HydrophobicContact CG-CD 4.28Å; M373-K377 HydrophobicContact CG-CG 4.45Å; M373-K377 WeakPolarHBondContact O-CG 3.36Å; M373-K377 PolarHBondContact O-N 3Å; M373-K377 HydrophobicContact SD-CG 4.43Å; E374-K377 IonicContact OE1-NZ 3.96Å; E374-K377 PolarHBondContact OE1-NZ 3.31Å; V375-K377 VanDerWaalsContact C-N 3.35Å; V375-K377 PolarHBondContact O-N 2.78Å; K377-N379 PolarHBondContact O-N 2.84Å; K377-S380 PolarHBondContact O-N 3.41Å; K377-S380 VanDerWaalsContact O-N 3.15Å; K377-S380 PolarHBondContact O-OG 3.4Å
378S82Confident81.3Confident78 Ų7866.7 Ų66.755%0.54538%0.379SS..Hα-helixtrans-63.9-21.1178.179.80000113.2E374 V375 L376 S380E374-S378 PolarHBondContact O-N 3.1Å; V375-S378 WeakPolarHBondContact O-CB 3.3Å; V375-S378 PolarHBondContact O-N 3.4Å; V375-S378 VanDerWaalsContact O-N 3.11Å; V375-S378 PolarHBondContact O-OG 3.36Å; L376-S378 VanDerWaalsContact C-N 3.28Å; L376-S378 PolarHBondContact O-N 2.74Å; S378-S380 VanDerWaalsContact C-N 3.33Å
379N74.1Confident81.1Confident52 Ų5264.8 Ų64.828%0.27837%0.365SS..THydrogen-bonded Turntrans-80.5-14.5178.8-62.1-4.2000113.2T264 Q310 V375 L376 K377T264-N379 WeakPolarHBondContact CA-OD1 3.44Å; T264-N379 WeakPolarHBondContact CB-OD1 3.4Å; T264-N379 WeakPolarHBondContact CG2-OD1 3.21Å; T264-N379 PolarHBondContact O-ND2 3.49Å; Q310-N379 PolarHBondContact NE2-ND2 3.06Å; Q310-N379 PolarHBondContact OE1-ND2 2.92Å; V375-N379 PolarHBondContact O-N 3.09Å; V375-N379 PolarHBondContact O-OD1 3.21Å; L376-N379 WeakPolarHBondContact O-CB 3.37Å; L376-N379 PolarHBondContact O-N 3.15Å; L376-N379 VanDerWaalsContact O-N 3.13Å; K377-N379 PolarHBondContact O-N 2.84Å
380S64.6Low81Confident32 Ų3266.6 Ų66.622%0.22437%0.372CS..  trans-129.5116.2-157.521.60000114.8L376 K377 S378 S385 N389L376-S380 PolarHBondContact O-OG 3.38Å; K377-S380 PolarHBondContact O-N 3.41Å; K377-S380 VanDerWaalsContact O-N 3.15Å; K377-S380 PolarHBondContact O-OG 3.4Å; S378-S380 VanDerWaalsContact C-N 3.33Å; S380-S385 VanDerWaalsContact CB-OG 3.26Å; S380-S385 WeakPolarHBondContact CB-OG 3.44Å; S380-N389 PolarHBondContact OG-ND2 3.11Å
381S56.2Low81Confident134 Ų13463.7 Ų63.794%0.93736%0.363SS*.  trans-98.46.1177.715.10000114.3
382S50.7Low80.9Confident54 Ų5460.9 Ų60.938%0.37835%0.35SS..SBendtrans-126.7154.8-174.382.90000114T384 S385S382-T384 VanDerWaalsContact C-N 3.33Å; S382-T384 PolarHBondContact O-N 3.49Å; S382-T384 PolarHBondContact OG-OG1 3.24Å; S382-S385 WeakPolarHBondContact O-CA 3.45Å; S382-S385 WeakPolarHBondContact O-CB 3.23Å; S382-S385 PolarHBondContact O-N 2.94Å; S382-S385 PolarHBondContact O-OG 2.71Å; S382-S385 PolarHBondContact OG-N 3.29Å; S382-S385 PolarHBondContact OG-OG 3.24Å
383S51.2Low81Confident102 Ų10261.2 Ų61.271%0.71335%0.351SS*.Hα-helixtrans-64.4-34.217754.50000113.5S385 I386S383-S385 PolarHBondContact O-N 3.13Å; S383-S385 VanDerWaalsContact O-N 3.09Å; S383-I386 PolarHBondContact O-N 3.35Å
384T55Low81.1Confident109 Ų10963.9 Ų63.967%0.66937%0.366SS*.Hα-helixtrans-52.8-27.1168.611.40000112.2S382 F388S382-T384 VanDerWaalsContact C-N 3.33Å; S382-T384 PolarHBondContact O-N 3.49Å; S382-T384 PolarHBondContact OG-OG1 3.24Å; T384-F388 PolarHBondContact O-N 2.42Å
385S80.4Confident81.2Confident24 Ų2460.9 Ų60.917%0.16835%0.353CS..Hα-helixtrans-81.6-24.7179.8-48.50000114.3S380 S382 S383 F388 N389S380-S385 VanDerWaalsContact CB-OG 3.26Å; S380-S385 WeakPolarHBondContact CB-OG 3.44Å; S382-S385 WeakPolarHBondContact O-CA 3.45Å; S382-S385 WeakPolarHBondContact O-CB 3.23Å; S382-S385 PolarHBondContact O-N 2.94Å; S382-S385 PolarHBondContact O-OG 2.71Å; S382-S385 PolarHBondContact OG-N 3.29Å; S382-S385 PolarHBondContact OG-OG 3.24Å; S383-S385 PolarHBondContact O-N 3.13Å; S383-S385 VanDerWaalsContact O-N 3.09Å; S385-F388 PolarHBondContact O-N 3.18Å; S385-N389 WeakPolarHBondContact O-CB 3.37Å; S385-N389 PolarHBondContact O-N 3.12Å; S385-N389 PolarHBondContact O-ND2 2.92Å; S385-N389 PolarHBondContact O-OD1 2.79Å
386I84.6Confident81.4Confident105 Ų10560.7 Ų60.754%0.53835%0.35SS..Hα-helixtrans-66.9-51.9178.3-61.4176.2000109.4S383 F388 N389 E390S383-I386 PolarHBondContact O-N 3.35Å; I386-F388 PolarHBondContact O-N 3.3Å; I386-N389 PolarHBondContact O-N 2.86Å; I386-N389 VanDerWaalsContact O-N 3.12Å; I386-E390 WeakPolarHBondContact O-CG 3.35Å; I386-E390 PolarHBondContact O-N 3.15Å
387S88.1Confident81.6Confident80 Ų8067.4 Ų67.456%0.55938%0.38SS*.Hα-helixtrans-59.1-36.2177.4179.10000112.2K391S387-K391 WeakPolarHBondContact O-CB 3.46Å; S387-K391 PolarHBondContact O-N 3.3Å
388F90.9Very high81.9Confident60 Ų6067.6 Ų67.626%0.26339%0.386SS..Hα-helixtrans-68.2-44.6174.6176.4-103000112.4E314 T384 S385 I386 E390 K391 C392E314-F388 HydrophobicContact CG-CE2 3.79Å; E314-F388 HydrophobicContact CG-CZ 3.54Å; T384-F388 PolarHBondContact O-N 2.42Å; S385-F388 PolarHBondContact O-N 3.18Å; I386-F388 PolarHBondContact O-N 3.3Å; F388-E390 VanDerWaalsContact C-N 3.32Å; F388-E390 PolarHBondContact O-N 3.35Å; F388-K391 WeakPolarHBondContact O-CB 3.38Å; F388-K391 PolarHBondContact O-N 3.12Å; F388-K391 VanDerWaalsContact O-N 3.15Å; F388-C392 WeakPolarHBondContact CE1-SG 3.36Å; F388-C392 WeakPolarHBondContact CZ-SG 3.17Å; F388-C392 PolarHBondContact O-N 2.87Å; F388-C392 PolarHBondContact O-SG 3.43Å
389N92.4Very high82.5Confident8 Ų865.7 Ų65.74%0.04337%0.367CS..Hα-helixtrans-62.6-39.8177.8-66.9-15.2000111.8M373 L376 S380 S385 I386 C392 I393M373-N389 HydrophobicContact SD-CB 4.08Å; L376-N389 HydrophobicContact CB-CB 4.15Å; L376-N389 PolarHBondContact O-ND2 3.23Å; S380-N389 PolarHBondContact OG-ND2 3.11Å; S385-N389 WeakPolarHBondContact O-CB 3.37Å; S385-N389 PolarHBondContact O-N 3.12Å; S385-N389 PolarHBondContact O-ND2 2.92Å; S385-N389 PolarHBondContact O-OD1 2.79Å; I386-N389 PolarHBondContact O-N 2.86Å; I386-N389 VanDerWaalsContact O-N 3.12Å; N389-C392 WeakPolarHBondContact O-CB 3.47Å; N389-C392 PolarHBondContact O-N 3.49Å; N389-I393 WeakPolarHBondContact O-CG1 3.12Å; N389-I393 PolarHBondContact O-N 3.34Å
390E93Very high83.5Confident103 Ų10364 Ų6448%0.48136%0.36SS..Hα-helixtrans-60.1-46.6172.4-71.7173.3168.100110.9M373 I386 F388 C392 I393 D394M373-E390 HydrophobicContact CE-CG 4.44Å; I386-E390 WeakPolarHBondContact O-CG 3.35Å; I386-E390 PolarHBondContact O-N 3.15Å; F388-E390 VanDerWaalsContact C-N 3.32Å; F388-E390 PolarHBondContact O-N 3.35Å; E390-C392 PolarHBondContact O-N 3.47Å; E390-I393 PolarHBondContact O-N 2.71Å; E390-D394 WeakPolarHBondContact O-CB 3.38Å; E390-D394 PolarHBondContact O-N 3.27Å
391K94Very high85Confident99 Ų9965.2 Ų65.243%0.4337%0.366SS..Hα-helixtrans-57.3-46.5174-176.8-168.1178.1-165.70112.2G313 S387 F388 I393 D394 L395G313-K391 VanDerWaalsContact O-CE 3.23Å; G313-K391 WeakPolarHBondContact O-CE 3.5Å; G313-K391 PolarHBondContact O-NZ 2.96Å; S387-K391 WeakPolarHBondContact O-CB 3.46Å; S387-K391 PolarHBondContact O-N 3.3Å; F388-K391 WeakPolarHBondContact O-CB 3.38Å; F388-K391 PolarHBondContact O-N 3.12Å; F388-K391 VanDerWaalsContact O-N 3.15Å; K391-I393 VanDerWaalsContact C-N 3.33Å; K391-I393 PolarHBondContact O-N 3.33Å; K391-D394 PolarHBondContact O-N 3.16Å; K391-L395 HydrophobicContact CD-CD1 4.48Å; K391-L395 HydrophobicContact CG-CD1 3.95Å; K391-L395 HydrophobicContact CG-CG 4.39Å; K391-L395 WeakPolarHBondContact O-CB 3.41Å; K391-L395 WeakPolarHBondContact O-CG 3.44Å; K391-L395 PolarHBondContact O-N 3.01Å
392C94.9Very high86.9Confident0 Ų060.4 Ų60.40%033%0.329CS..Hα-helixtrans-56.2-48.4177.8-67.30000111.2A309 L376 F388 N389 E390 F396A309-C392 WeakPolarHBondContact O-CB 3.31Å; L376-C392 HydrophobicContact CD1-CB 3.99Å; F388-C392 WeakPolarHBondContact CE1-SG 3.36Å; F388-C392 WeakPolarHBondContact CZ-SG 3.17Å; F388-C392 PolarHBondContact O-N 2.87Å; F388-C392 PolarHBondContact O-SG 3.43Å; N389-C392 WeakPolarHBondContact O-CB 3.47Å; N389-C392 PolarHBondContact O-N 3.49Å; E390-C392 PolarHBondContact O-N 3.47Å; C392-F396 VanDerWaalsContact O-CB 3.22Å; C392-F396 WeakPolarHBondContact O-CB 3.36Å; C392-F396 PolarHBondContact O-N 2.93Å
393I95.6Very high89.1Confident8 Ų857.8 Ų57.84%0.04131%0.311CS..Hα-helixtrans-67.9-43.4-179.6-70.8-56.5000111.9I369 L372 M373 L376 N389 E390 K391 L395 F396 K397I369-I393 HydrophobicContact CG2-CD1 4.36Å; I369-I393 HydrophobicContact CG2-CG2 3.3Å; L372-I393 HydrophobicContact CB-CD1 3.76Å; M373-I393 HydrophobicContact CE-CB 4.07Å; M373-I393 HydrophobicContact CE-CG1 3.61Å; M373-I393 HydrophobicContact CE-CG2 4.4Å; M373-I393 HydrophobicContact SD-CG1 4.24Å; L376-I393 HydrophobicContact CD1-CD1 3.66Å; L376-I393 HydrophobicContact CD1-CG1 3.74Å; N389-I393 WeakPolarHBondContact O-CG1 3.12Å; N389-I393 PolarHBondContact O-N 3.34Å; E390-I393 PolarHBondContact O-N 2.71Å; K391-I393 VanDerWaalsContact C-N 3.33Å; K391-I393 PolarHBondContact O-N 3.33Å; I393-L395 PolarHBondContact O-N 3.06Å; I393-F396 PolarHBondContact O-N 2.8Å; I393-K397 WeakPolarHBondContact O-CB 3.45Å; I393-K397 PolarHBondContact O-N 3.32Å
394D95.3Very high91.1Very high92 Ų9258.9 Ų58.949%0.49230%0.3SS..Hα-helixtrans-62.6-43.7178.8-78.9-16000111.2E390 K391 N398E390-D394 WeakPolarHBondContact O-CB 3.38Å; E390-D394 PolarHBondContact O-N 3.27Å; K391-D394 PolarHBondContact O-N 3.16Å; D394-N398 WeakPolarHBondContact O-CB 3.43Å; D394-N398 VanDerWaalsContact O-CG 3.28Å; D394-N398 PolarHBondContact O-N 3.27Å; D394-N398 VanDerWaalsContact O-N 3.16Å; D394-N398 PolarHBondContact O-ND2 2.82Å
395L94.7Very high92.7Very high18 Ų1857 Ų579%0.09428%0.283CS..Hα-helixtrans-68.2-45.8176.7-68.8178.9000111.8F312 F316 P318 K391 I393 K397 N398 Y399F312-L395 HydrophobicContact CB-CB 4.01Å; F312-L395 HydrophobicContact CD1-CB 4.27Å; F312-L395 WeakPolarHBondContact O-CD1 3.45Å; F316-L395 HydrophobicContact CD1-CD2 4.41Å; P318-L395 HydrophobicContact CG-CD2 3.53Å; K391-L395 HydrophobicContact CD-CD1 4.48Å; K391-L395 HydrophobicContact CG-CD1 3.95Å; K391-L395 HydrophobicContact CG-CG 4.39Å; K391-L395 WeakPolarHBondContact O-CB 3.41Å; K391-L395 WeakPolarHBondContact O-CG 3.44Å; K391-L395 PolarHBondContact O-N 3.01Å; I393-L395 PolarHBondContact O-N 3.06Å; L395-K397 PolarHBondContact O-N 2.74Å; L395-N398 PolarHBondContact O-N 3.13Å; L395-Y399 HydrophobicContact CD2-CD2 4.05Å; L395-Y399 HydrophobicContact CD2-CE2 3.89Å; L395-Y399 WeakPolarHBondContact O-CB 3.25Å; L395-Y399 WeakPolarHBondContact O-CD2 3.44Å; L395-Y399 PolarHBondContact O-N 2.83Å
396F95Very high93.1Very high11 Ų1161.9 Ų61.95%0.04831%0.308CS..Hα-helixtrans-59-48.2177.2-175.8-89.4000111.2L305 I308 A309 F312 I326 I369 L372 C392 I393 N398 Y399 A400 L402L305-F396 HydrophobicContact CD2-CZ 4.2Å; I308-F396 HydrophobicContact CB-CE2 4.43Å; I308-F396 HydrophobicContact CG2-CD2 4.24Å; I308-F396 HydrophobicContact CG2-CE2 3.98Å; A309-F396 HydrophobicContact CB-CB 3.98Å; A309-F396 HydrophobicContact CB-CD2 3.84Å; A309-F396 HydrophobicContact CB-CG 4.02Å; F312-F396 HydrophobicContact CD2-CD2 4.21Å; F312-F396 HydrophobicContact CE2-CD2 4.36Å; I326-F396 HydrophobicContact CD1-CE2 3.67Å; I326-F396 HydrophobicContact CD1-CZ 4.12Å; I369-F396 HydrophobicContact CD1-CD1 4.42Å; L372-F396 HydrophobicContact CD1-CD1 4.07Å; L372-F396 HydrophobicContact CD1-CE1 3.77Å; L372-F396 HydrophobicContact CD1-CZ 4.37Å; C392-F396 VanDerWaalsContact O-CB 3.22Å; C392-F396 WeakPolarHBondContact O-CB 3.36Å; C392-F396 PolarHBondContact O-N 2.93Å; I393-F396 PolarHBondContact O-N 2.8Å; F396-N398 VanDerWaalsContact C-N 3.28Å; F396-N398 PolarHBondContact O-N 3.47Å; F396-Y399 PolarHBondContact O-N 3.38Å; F396-A400 HydrophobicContact CD1-CB 4.17Å; F396-A400 HydrophobicContact CD2-CB 3.68Å; F396-A400 HydrophobicContact CE1-CB 4.14Å; F396-A400 HydrophobicContact CE2-CB 3.67Å; F396-A400 HydrophobicContact CG-CB 3.94Å; F396-A400 HydrophobicContact CZ-CB 3.91Å; F396-A400 WeakPolarHBondContact O-CA 3.44Å; F396-A400 WeakPolarHBondContact O-CB 3.32Å; F396-A400 PolarHBondContact O-N 2.67Å; F396-L402 HydrophobicContact CE1-CD1 4.46Å; F396-L402 HydrophobicContact CZ-CD1 4.03Å
397K94.7Very high93.3Very high142 Ų14260.7 Ų60.762%0.61730%0.3SS*.Hα-helixtrans-60.5-36.9-179.7179.3-177.6171.1-170.90112.9I369 I393 L395I369-K397 HydrophobicContact CD1-CB 4.35Å; I393-K397 WeakPolarHBondContact O-CB 3.45Å; I393-K397 PolarHBondContact O-N 3.32Å; L395-K397 PolarHBondContact O-N 2.74Å
398N93.5Very high92.8Very high109 Ų10963.3 Ų63.358%0.58331%0.306SS*.Hα-helixtrans-87.9-24.2-175.2-69.9-43.6000113.4D394 L395 F396D394-N398 WeakPolarHBondContact O-CB 3.43Å; D394-N398 VanDerWaalsContact O-CG 3.28Å; D394-N398 PolarHBondContact O-N 3.27Å; D394-N398 VanDerWaalsContact O-N 3.16Å; D394-N398 PolarHBondContact O-ND2 2.82Å; L395-N398 PolarHBondContact O-N 3.13Å; F396-N398 VanDerWaalsContact C-N 3.28Å; F396-N398 PolarHBondContact O-N 3.47Å
399Y93.9Very high92.6Very high38 Ų3865.4 Ų65.415%0.14932%0.317CS..Hα-helixtrans-126.2-12.6-170.5-63.1-79.7000114.9F316 P318 P323 V324 L395 F396F316-Y399 HydrophobicContact CD1-CD2 4.22Å; F316-Y399 HydrophobicContact CD1-CG 4.34Å; F316-Y399 AromaticContact CE1-CD1 3.6Å; F316-Y399 HydrophobicContact CE1-CD1 3.6Å; F316-Y399 AromaticContact CE1-CD2 3.53Å; F316-Y399 HydrophobicContact CE1-CD2 3.53Å; F316-Y399 AromaticContact CE1-CE1 4Å; F316-Y399 HydrophobicContact CE1-CE1 4Å; F316-Y399 AromaticContact CE1-CE2 3.95Å; F316-Y399 HydrophobicContact CE1-CE2 3.95Å; F316-Y399 AromaticContact CE1-CG 3.36Å; F316-Y399 HydrophobicContact CE1-CG 3.36Å; F316-Y399 AromaticContact CZ-CD1 3.55Å; F316-Y399 HydrophobicContact CZ-CD1 3.55Å; F316-Y399 HydrophobicContact CZ-CD2 4.21Å; F316-Y399 HydrophobicContact CZ-CE1 4.22Å; F316-Y399 AromaticContact CZ-CG 3.55Å; F316-Y399 HydrophobicContact CZ-CG 3.55Å; P318-Y399 HydrophobicContact CB-CE2 4.24Å; P318-Y399 WeakPolarHBondContact CB-OH 2.93Å; P318-Y399 HydrophobicContact CG-CE2 4.27Å; P323-Y399 CarbonylContact C-O 3.52Å; P323-Y399 VanDerWaalsContact CA-O 3.3Å; P323-Y399 WeakPolarHBondContact CA-O 3.2Å; P323-Y399 WeakPolarHBondContact CB-O 3.16Å; V324-Y399 PolarHBondContact N-O 3.26Å; L395-Y399 HydrophobicContact CD2-CD2 4.05Å; L395-Y399 HydrophobicContact CD2-CE2 3.89Å; L395-Y399 WeakPolarHBondContact O-CB 3.25Å; L395-Y399 WeakPolarHBondContact O-CD2 3.44Å; L395-Y399 PolarHBondContact O-N 2.83Å; F396-Y399 PolarHBondContact O-N 3.38Å
400A95.3Very high92.4Very high15 Ų1566.2 Ų66.212%0.12432%0.322CS..EExtended strand (participates in β ladder)trans-89.7125171.300000110.5F312 V324 I326 F396 L402F312-A400 HydrophobicContact CE2-CB 4.25Å; F312-A400 HydrophobicContact CZ-CB 4.07Å; V324-A400 WeakPolarHBondContact O-CA 3.46Å; I326-A400 HydrophobicContact CD1-CB 3.69Å; I326-A400 HydrophobicContact CG1-CB 4.48Å; F396-A400 HydrophobicContact CD1-CB 4.17Å; F396-A400 HydrophobicContact CD2-CB 3.68Å; F396-A400 HydrophobicContact CE1-CB 4.14Å; F396-A400 HydrophobicContact CE2-CB 3.67Å; F396-A400 HydrophobicContact CG-CB 3.94Å; F396-A400 HydrophobicContact CZ-CB 3.91Å; F396-A400 WeakPolarHBondContact O-CA 3.44Å; F396-A400 WeakPolarHBondContact O-CB 3.32Å; F396-A400 PolarHBondContact O-N 2.67Å; A400-L402 HydrophobicContact CB-CD1 4.45Å
401V95.4Very high92.2Very high59 Ų5964.8 Ų64.836%0.35833%0.327SS..EExtended strand (participates in β ladder)trans-110.7118.1176.8-179.70000108.2P323 V324 V325 I326 P403P323-V401 HydrophobicContact CB-CG2 3.94Å; V324-V401 PolarHBondContact O-N 2.94Å; V325-V401 CarbonylContact C-O 3.51Å; V325-V401 WeakPolarHBondContact CA-O 3.31Å; I326-V401 PolarHBondContact N-O 2.9Å; V401-P403 HydrophobicContact CG1-CG 4.43Å; V401-P403 WeakPolarHBondContact O-CD 3.14Å
402L96.8Very high92.1Very high32 Ų3260.7 Ų60.717%0.16831%0.309CS..  trans-105.397172.3-78.275.9000108.4F204 L305 I326 L363 F396 A400F204-L402 HydrophobicContact CB-CD2 4.1Å; F204-L402 HydrophobicContact CD2-CD2 4.12Å; F204-L402 HydrophobicContact CG-CD2 4.05Å; L305-L402 HydrophobicContact CD1-CD2 4.1Å; L305-L402 HydrophobicContact CD2-CD2 4.42Å; I326-L402 HydrophobicContact CB-CD1 4.04Å; I326-L402 HydrophobicContact CB-CG 4.06Å; I326-L402 HydrophobicContact CD1-CD1 4.15Å; I326-L402 HydrophobicContact CG2-CG 4.31Å; L363-L402 HydrophobicContact CD2-CB 4.12Å; F396-L402 HydrophobicContact CE1-CD1 4.46Å; F396-L402 HydrophobicContact CZ-CD1 4.03Å; A400-L402 HydrophobicContact CB-CD1 4.45Å
403P96.2Very high91.8Very high0 Ų061.6 Ų61.60%032%0.315CS..  trans-66139.9-177.9-18.531.3000111.3V325 I326 N360 V401 E407 V410V325-P403 HydrophobicContact CG1-CG 3.61Å; I326-P403 WeakPolarHBondContact O-CD 3.29Å; N360-P403 VanDerWaalsContact CB-O 3.27Å; N360-P403 WeakPolarHBondContact CB-O 3.23Å; N360-P403 PolarHBondContact N-O 2.88Å; N360-P403 PolarHBondContact ND2-O 3.25Å; V401-P403 HydrophobicContact CG1-CG 4.43Å; V401-P403 WeakPolarHBondContact O-CD 3.14Å; P403-E407 VanDerWaalsContact CA-OE2 3.25Å; P403-E407 WeakPolarHBondContact CA-OE2 3.24Å; P403-E407 HydrophobicContact CB-CB 3.96Å; P403-V410 HydrophobicContact CB-CG2 3.45Å; P403-V410 VanDerWaalsContact CB-CG2 3.45Å; P403-V410 HydrophobicContact CG-CB 4.27Å; P403-V410 HydrophobicContact CG-CG1 4.31Å; P403-V410 HydrophobicContact CG-CG2 3.54Å
404R93.8Very high91.2Very high124 Ų12468.5 Ų68.547%0.46835%0.352SS..  trans-87177.9-172.8-59.5-171.5-165.2-152.96.2112.2D406 E407R404-D406 VanDerWaalsContact CB-OD1 3.28Å; R404-D406 WeakPolarHBondContact CB-OD1 3.47Å; R404-D406 PolarHBondContact O-N 3.03Å; R404-E407 PolarHBondContact N-OE2 3.27Å; R404-E407 PolarHBondContact O-N 3.37Å
405H89.2Confident90.4Very high70 Ų7066.1 Ų66.132%0.32434%0.343SS..THydrogen-bonded Turntrans-57.6-32-178.8174.485.9000113.9N360 L361 N362 L363 H364 E407N360-H405 WeakPolarHBondContact O-CA 3.2Å; N360-H405 PolarHBondContact O-N 3.3Å; L361-H405 VanDerWaalsContact CD1-CE1 3.48Å; L361-H405 WeakPolarHBondContact CD1-CE1 3.25Å; L361-H405 VanDerWaalsContact CD1-ND1 3.33Å; L361-H405 WeakPolarHBondContact CD1-ND1 3.48Å; N362-H405 PolarHBondContact N-ND1 2.8Å; L363-H405 PolarHBondContact O-N 3.16Å; H364-H405 AromaticContact CE1-CD2 3.9Å; H364-H405 AromaticContact CE1-CG 3.95Å; H405-E407 VanDerWaalsContact C-N 3.35Å
406D88.2Confident89.7Confident127 Ų12775.3 Ų75.368%0.67939%0.385SS*.THydrogen-bonded Turntrans-80.2-13.9177.955.2-35.7000113.7R404 I408R404-D406 VanDerWaalsContact CB-OD1 3.28Å; R404-D406 WeakPolarHBondContact CB-OD1 3.47Å; R404-D406 PolarHBondContact O-N 3.03Å; D406-I408 PolarHBondContact O-N 2.7Å
407E87.7Confident89.4Confident80 Ų8077.7 Ų77.737%0.37439%0.393SS..  trans-93.962.5177.9-62.2176.997.300110.7G359 P403 R404 H405 Q409 V410G359-E407 WeakPolarHBondContact CA-O 3.28Å; G359-E407 PolarHBondContact N-O 3.22Å; P403-E407 VanDerWaalsContact CA-OE2 3.25Å; P403-E407 WeakPolarHBondContact CA-OE2 3.24Å; P403-E407 HydrophobicContact CB-CB 3.96Å; R404-E407 PolarHBondContact N-OE2 3.27Å; R404-E407 PolarHBondContact O-N 3.37Å; H405-E407 VanDerWaalsContact C-N 3.35Å; E407-Q409 PolarHBondContact O-N 2.95Å; E407-V410 HydrophobicContact CB-CG2 4.1Å
408I79.4Confident89.5Confident134 Ų13472.9 Ų72.969%0.68737%0.372SS*.SBendtrans-51.1-37.8-173.1-61.7170000112.1C358 G359 D406C358-I408 WeakPolarHBondContact CA-O 3.23Å; G359-I408 PolarHBondContact N-O 2.83Å; G359-I408 VanDerWaalsContact N-O 3.12Å; D406-I408 PolarHBondContact O-N 2.7Å
409Q85.6Confident89.7Confident105 Ų10568 Ų6849%0.49135%0.345SS..EExtended strand (participates in β ladder)trans-135.4134.1176.5-168.8-170.7-48.100110.4R356 I357 E407R356-Q409 HydrophobicContact CB-CG 4.16Å; R356-Q409 HydrophobicContact CG-CG 4.46Å; I357-Q409 CarbonylContact O-C 3.55Å; I357-Q409 WeakPolarHBondContact O-CA 3.18Å; E407-Q409 PolarHBondContact O-N 2.95Å
410V89.2Confident89.9Confident24 Ų2466.2 Ų66.215%0.14534%0.338CS..EExtended strand (participates in β ladder)trans-120139.4179.5-172.80000109.5V325 I357 P403 E407V325-V410 HydrophobicContact CG2-CG1 4.45Å; I357-V410 HydrophobicContact CB-CB 4.49Å; I357-V410 PolarHBondContact N-O 3.1Å; I357-V410 PolarHBondContact O-N 3.12Å; P403-V410 HydrophobicContact CB-CG2 3.45Å; P403-V410 VanDerWaalsContact CB-CG2 3.45Å; P403-V410 HydrophobicContact CG-CB 4.27Å; P403-V410 HydrophobicContact CG-CG1 4.31Å; P403-V410 HydrophobicContact CG-CG2 3.54Å; E407-V410 HydrophobicContact CB-CG2 4.1Å
411A87.6Confident90Very high73 Ų7365.5 Ų65.560%0.60333%0.332SS*.PPolyproline II helixtrans-70.3148.2173.600000110.1
412W92.3Very high90.2Very high14 Ų1462.7 Ų62.75%0.05332%0.315CS..PPolyproline II helixtrans-64.3146170.1-77.966.3000110.7H289 S351 V352 N355 I357 R418 I419 V420H289-W412 HydrophobicContact CB-CE3 4.36Å; H289-W412 HydrophobicContact CB-CH2 3.62Å; H289-W412 HydrophobicContact CB-CZ2 4.17Å; H289-W412 HydrophobicContact CB-CZ3 3.71Å; S351-W412 PolarHBondContact O-NE1 3.12Å; S351-W412 WeakPolarHBondContact OG-CZ2 3.42Å; S351-W412 PolarHBondContact OG-NE1 3.45Å; V352-W412 HydrophobicContact CB-CH2 4.44Å; V352-W412 HydrophobicContact CB-CZ2 4.17Å; V352-W412 HydrophobicContact CG1-CH2 3.37Å; V352-W412 HydrophobicContact CG1-CZ2 3.45Å; V352-W412 VanDerWaalsContact CG1-CZ2 3.45Å; V352-W412 HydrophobicContact CG1-CZ3 4.43Å; N355-W412 WeakPolarHBondContact OD1-CB 3.46Å; N355-W412 VanDerWaalsContact OD1-CG 3.28Å; I357-W412 HydrophobicContact CD1-CD2 3.89Å; I357-W412 HydrophobicContact CD1-CE3 4.39Å; I357-W412 HydrophobicContact CD1-CG 4.01Å; I357-W412 HydrophobicContact CD1-CZ2 4.5Å; I357-W412 HydrophobicContact CG1-CD2 4.23Å; I357-W412 HydrophobicContact CG1-CG 4.26Å; I357-W412 HydrophobicContact CG1-CZ2 4.35Å; W412-R418 HydrophobicContact CB-CG 4.3Å; W412-R418 HydrophobicContact CD2-CB 3.93Å; W412-R418 HydrophobicContact CD2-CG 3.82Å; W412-R418 HydrophobicContact CE3-CB 3.68Å; W412-R418 HydrophobicContact CE3-CG 3.8Å; W412-R418 HydrophobicContact CG-CG 4.07Å; W412-R418 HydrophobicContact CH2-CB 4.06Å; W412-R418 HydrophobicContact CZ2-CB 4.3Å; W412-R418 HydrophobicContact CZ3-CB 3.77Å; W412-R418 HydrophobicContact CZ3-CG 4.4Å; W412-I419 WeakPolarHBondContact CZ3-O 3.32Å; W412-V420 HydrophobicContact CH2-CB 3.85Å; W412-V420 HydrophobicContact CH2-CG1 4.48Å
413P88.9Confident90.3Very high19 Ų1961.1 Ų61.112%0.12331%0.307CS..PPolyproline II helixtrans-55.5147.4166.3-25.436.5000111.8G288 T322 P323 V325 S415G288-P413 WeakPolarHBondContact O-CG 3.35Å; T322-P413 HydrophobicContact CG2-CB 3.28Å; T322-P413 HydrophobicContact CG2-CG 4.38Å; P323-P413 WeakPolarHBondContact O-CB 3.32Å; P323-P413 WeakPolarHBondContact O-CG 3.43Å; V325-P413 HydrophobicContact CG2-CG 3.83Å; P413-S415 PolarHBondContact O-N 3.07Å; P413-S415 VanDerWaalsContact O-N 3.09Å
414D82.6Confident90.4Very high153 Ų15361.1 Ų61.182%0.81831%0.307SS*.SBendtrans-61.6113.3174.1-70.4-32.1000109.9T322T322-D414 WeakPolarHBondContact CG2-O 3.46Å; T322-D414 PolarHBondContact OG1-O 3.12Å
415S78.5Confident90.7Very high42 Ų4256.5 Ų56.529%0.29429%0.29SS..  trans-144.5158.8178.676.50000111.3P413 R417P413-S415 PolarHBondContact O-N 3.07Å; P413-S415 VanDerWaalsContact O-N 3.09Å; S415-R417 VanDerWaalsContact C-N 3.27Å; S415-R417 PolarHBondContact O-N 2.72Å; S415-R417 VanDerWaalsContact OG-C 3.27Å; S415-R417 PolarHBondContact OG-O 3.08Å
416H79.1Confident91Very high210 Ų21053.6 Ų53.697%0.97228%0.28SS*.SBendtrans-64.7-30.6175.9-71.3-65.8000113.4
417R90.1Very high91.4Very high61 Ų6151.1 Ų51.123%0.2326%0.263CS..SBendtrans-149.4137.3178.3-168.1172.5-172.7-156.2-4.3108.2E245 S415 I419 S437 E438E245-R417 IonicContact OE2-CZ 3.24Å; E245-R417 IonicContact OE2-NH1 2.88Å; E245-R417 PolarHBondContact OE2-NH1 3.5Å; E245-R417 IonicContact OE2-NH2 3.53Å; E245-R417 PolarHBondContact OE2-NH2 3.08Å; S415-R417 VanDerWaalsContact C-N 3.27Å; S415-R417 PolarHBondContact O-N 2.72Å; S415-R417 VanDerWaalsContact OG-C 3.27Å; S415-R417 PolarHBondContact OG-O 3.08Å; R417-I419 HydrophobicContact CG-CG1 4.47Å; R417-I419 PolarHBondContact O-N 3Å; R417-S437 WeakPolarHBondContact CD-OG 3.46Å; R417-S437 WeakPolarHBondContact CG-OG 3.42Å; R417-S437 PolarHBondContact NE-OG 3.45Å; R417-S437 PolarHBondContact NH1-OG 3.02Å; R417-S437 PolarHBondContact NH2-OG 2.65Å; R417-E438 HydrophobicContact CG-CB 4.22Å; R417-E438 PolarHBondContact NE-O 2.95Å; R417-E438 PolarHBondContact NH2-O 3.18Å
418R95.7Very high91.7Very high42 Ų4249.7 Ų49.716%0.15827%0.269CS..  trans-77.9115.7178.1-65.4-177.3-60-711.8109.7V352 N355 W412 S437 E438V352-R418 HydrophobicContact CB-CB 4.27Å; V352-R418 HydrophobicContact CG1-CB 4.28Å; V352-R418 WeakPolarHBondContact CG1-O 3.28Å; V352-R418 PolarHBondContact O-NE 3.34Å; V352-R418 PolarHBondContact O-NH2 3.15Å; N355-R418 VanDerWaalsContact OD1-CD 3.31Å; N355-R418 WeakPolarHBondContact OD1-CD 3.4Å; W412-R418 HydrophobicContact CB-CG 4.3Å; W412-R418 HydrophobicContact CD2-CB 3.93Å; W412-R418 HydrophobicContact CD2-CG 3.82Å; W412-R418 HydrophobicContact CE3-CB 3.68Å; W412-R418 HydrophobicContact CE3-CG 3.8Å; W412-R418 HydrophobicContact CG-CG 4.07Å; W412-R418 HydrophobicContact CH2-CB 4.06Å; W412-R418 HydrophobicContact CZ2-CB 4.3Å; W412-R418 HydrophobicContact CZ3-CB 3.77Å; W412-R418 HydrophobicContact CZ3-CG 4.4Å; R418-S437 CarbonylContact O-C 3.57Å; R418-S437 WeakPolarHBondContact O-CA 3.39Å; R418-E438 HydrophobicContact CB-CB 4.13Å; R418-E438 IonicContact CZ-OE1 3.76Å; R418-E438 IonicContact CZ-OE2 3.93Å; R418-E438 VanDerWaalsContact CZ-OE2 3.24Å; R418-E438 PolarHBondContact N-OE2 3.29Å; R418-E438 IonicContact NE-OE2 3.66Å; R418-E438 IonicContact NH1-OE1 3.36Å; R418-E438 PolarHBondContact NH1-OE1 3.19Å; R418-E438 IonicContact NH1-OE2 3.99Å; R418-E438 PolarHBondContact NH1-OE2 3.22Å; R418-E438 IonicContact NH2-OE1 2.69Å; R418-E438 PolarHBondContact NH2-OE1 2.85Å; R418-E438 IonicContact NH2-OE2 2.61Å; R418-E438 PolarHBondContact O-N 3.07Å
419I97.3Very high92.5Very high6 Ų643.5 Ų43.53%0.03124%0.239CC..EExtended strand (participates in β ladder)trans-126.9125.8-178.4-57.3175.8000109.4I247 L281 I287 G288 H289 W412 R417 I436 S437I247-I419 HydrophobicContact CD1-CD1 4.22Å; I247-I419 HydrophobicContact CD1-CG2 4.05Å; L281-I419 HydrophobicContact CD1-CD1 4.04Å; L281-I419 HydrophobicContact CD1-CG2 4.28Å; L281-I419 HydrophobicContact CD2-CD1 3.77Å; I287-I419 HydrophobicContact CG1-CG2 4.01Å; G288-I419 PolarHBondContact N-O 2.84Å; H289-I419 PolarHBondContact N-O 3.15Å; W412-I419 WeakPolarHBondContact CZ3-O 3.32Å; R417-I419 HydrophobicContact CG-CG1 4.47Å; R417-I419 PolarHBondContact O-N 3Å; I419-I436 WeakPolarHBondContact CA-O 3.28Å; I419-S437 WeakPolarHBondContact CG1-OG 3.44Å
420V98.4Very high93.1Very high0 Ų040.2 Ų40.20%023%0.226CC..EExtended strand (participates in β ladder)trans-111136.7175.254.80000111.2H289 N291 V352 W412 L435 I436H289-V420 HydrophobicContact CB-CB 4.1Å; H289-V420 HydrophobicContact CB-CG2 4.1Å; H289-V420 VanDerWaalsContact ND1-CG2 3.25Å; H289-V420 WeakPolarHBondContact ND1-CG2 3.48Å; H289-V420 CarbonylContact O-C 3.5Å; H289-V420 VanDerWaalsContact O-CA 3.26Å; H289-V420 WeakPolarHBondContact O-CA 3.41Å; N291-V420 HydrophobicContact CB-CG2 4.03Å; V352-V420 HydrophobicContact CG1-CB 4.25Å; V352-V420 HydrophobicContact CG1-CG1 3.64Å; W412-V420 HydrophobicContact CH2-CB 3.85Å; W412-V420 HydrophobicContact CH2-CG1 4.48Å; V420-L435 WeakPolarHBondContact O-CA 3.43Å; V420-I436 HydrophobicContact CG1-CB 3.82Å; V420-I436 HydrophobicContact CG1-CD1 4.49Å; V420-I436 PolarHBondContact N-O 3.19Å; V420-I436 PolarHBondContact O-N 3.06Å
421M98.7Very high93.6Very high0 Ų039.3 Ų39.30%022%0.22CC..EExtended strand (participates in β ladder)trans-95.2120.6164.7-178.5176-8600110.1M272 F276 F284 I287 H289 I290 N291 T433 L435M272-M421 HydrophobicContact CB-CE 3.95Å; M272-M421 HydrophobicContact CB-SD 3.76Å; M272-M421 HydrophobicContact CG-CE 4.37Å; M272-M421 HydrophobicContact CG-SD 3.54Å; M272-M421 VanDerWaalsContact CG-SD 3.54Å; M272-M421 HydrophobicContact SD-SD 3.63Å; M272-M421 VanDerWaalsContact SD-SD 3.63Å; F276-M421 HydrophobicContact CB-CE 4.42Å; F284-M421 HydrophobicContact CE2-CE 3.88Å; F284-M421 HydrophobicContact CE2-SD 4.29Å; I287-M421 HydrophobicContact CD1-CE 3.88Å; I287-M421 HydrophobicContact CG2-CB 4.07Å; H289-M421 PolarHBondContact O-N 3.46Å; I290-M421 CarbonylContact C-O 3.59Å; I290-M421 VanDerWaalsContact CA-O 3.27Å; I290-M421 WeakPolarHBondContact CA-O 3.41Å; I290-M421 HydrophobicContact CG1-CB 4.23Å; I290-M421 HydrophobicContact CG2-CB 4.46Å; N291-M421 PolarHBondContact N-O 2.61Å; M421-T433 HydrophobicContact CE-CG2 4.22Å; M421-T433 HydrophobicContact CG-CG2 3.39Å; M421-T433 HydrophobicContact SD-CG2 4.01Å; M421-L435 VanDerWaalsContact CA-CD2 3.44Å; M421-L435 HydrophobicContact CB-CD2 3.43Å; M421-L435 VanDerWaalsContact CB-CD2 3.43Å; M421-L435 HydrophobicContact CE-CD2 3.82Å; M421-L435 HydrophobicContact CG-CD2 3.75Å
422T98.9Very high94.1Very high0 Ų035.8 Ų35.80%019%0.192CC..EExtended strand (participates in β ladder)trans-111.3124.4-179.6-53.60000109.8L148 N291 E344 S348 T433 L434L148-T422 HydrophobicContact CD1-CG2 4.32Å; L148-T422 WeakPolarHBondContact CD1-O 3.48Å; N291-T422 HydrophobicContact CB-CG2 4.32Å; N291-T422 CarbonylContact O-C 3.56Å; N291-T422 WeakPolarHBondContact O-CA 3.23Å; E344-T422 HydrophobicContact CB-CG2 3.87Å; S348-T422 VanDerWaalsContact CB-OG1 3.3Å; S348-T422 WeakPolarHBondContact CB-OG1 3.49Å; S348-T422 PolarHBondContact OG-OG1 2.96Å; T422-T433 CarbonylContact O-C 3.58Å; T422-T433 VanDerWaalsContact O-CA 3.24Å; T422-T433 WeakPolarHBondContact O-CA 3.45Å; T422-L434 PolarHBondContact N-O 3.48Å; T422-L434 PolarHBondContact O-N 3.38Å
423N98.9Very high94.4Very high0 Ų035.1 Ų35.10%019%0.189CC..EExtended strand (participates in β ladder)trans-107.7143.1-178.4-70.7-21.8000111.7M272 N291 H293 E304 F425 T433M272-N423 WeakPolarHBondContact CG-OD1 3.47Å; M272-N423 PolarHBondContact SD-ND2 3.45Å; M272-N423 VanDerWaalsContact SD-ND2 3.38Å; N291-N423 PolarHBondContact O-N 2.76Å; H293-N423 HydrophobicContact CB-CB 4.44Å; E304-N423 WeakPolarHBondContact OE1-CB 3.3Å; E304-N423 PolarHBondContact OE1-ND2 2.81Å; N423-F425 HydrophobicContact CB-CE1 3.98Å; N423-F425 HydrophobicContact CB-CE2 4.25Å; N423-F425 HydrophobicContact CB-CZ 3.63Å; N423-T433 VanDerWaalsContact OD1-CG2 3.29Å; N423-T433 WeakPolarHBondContact OD1-CG2 3.35Å; N423-T433 PolarHBondContact OD1-OG1 3.4Å
424S98.8Very high94.9Very high0 Ų034.2 Ų34.20%018%0.183CC..EExtended strand (participates in β ladder)trans-146.2128.6164.9-166.40000111.4C144 A145 G432C144-S424 PolarHBondContact O-OG 3.16Å; A145-S424 WeakPolarHBondContact CB-O 3.3Å; S424-G432 PolarHBondContact N-O 2.73Å; S424-G432 PolarHBondContact O-N 3.06Å
425F98.6Very high95.7Very high26 Ų2627 Ų2711%0.11414%0.144CC..EExtended strand (participates in β ladder)trans-123.9134-174.6-48.7-39.6000110C144 A268 H293 E304 N423 T430 N431C144-F425 WeakPolarHBondContact CB-O 3.46Å; A268-F425 HydrophobicContact CB-CE1 4.13Å; A268-F425 HydrophobicContact CB-CE2 3.84Å; A268-F425 HydrophobicContact CB-CZ 3.59Å; H293-F425 HydrophobicContact CB-CB 4.46Å; H293-F425 HydrophobicContact CB-CD2 3.57Å; H293-F425 HydrophobicContact CB-CE2 3.94Å; H293-F425 HydrophobicContact CB-CG 4.06Å; H293-F425 PolarHBondContact CE1-O 2.93Å; H293-F425 AromaticContact CG-CD2 3.96Å; H293-F425 PolarHBondContact ND1-N 3.19Å; H293-F425 PolarHBondContact NE2-O 3.12Å; H293-F425 VanDerWaalsContact NE2-O 3.1Å; E304-F425 HydrophobicContact CB-CE2 4.14Å; E304-F425 HydrophobicContact CG-CE2 3.79Å; E304-F425 HydrophobicContact CG-CZ 4.46Å; E304-F425 WeakPolarHBondContact OE1-CE2 3.16Å; N423-F425 HydrophobicContact CB-CE1 3.98Å; N423-F425 HydrophobicContact CB-CE2 4.25Å; N423-F425 HydrophobicContact CB-CZ 3.63Å; F425-T430 CarbonylContact C-O 3.57Å; F425-T430 WeakPolarHBondContact CA-O 3.42Å; F425-N431 HydrophobicContact CD1-CB 3.64Å; F425-N431 WeakPolarHBondContact CD1-OD1 3.42Å; F425-N431 HydrophobicContact CE1-CB 4.05Å
426G97.3Very high96.6Very high10 Ų1025.1 Ų25.110%0.10313%0.131CC..EExtended strand (participates in β ladder)trans-116.4156.2-175.300000113G429 T430G426-G429 PolarHBondContact O-N 2.93Å; G426-G429 VanDerWaalsContact O-N 3.16Å; G426-T430 PolarHBondContact N-O 3.5Å; G426-T430 PolarHBondContact O-N 3.4Å
427F95.4Very high97.5Very high75 Ų7515.1 Ų15.133%0.3299%0.085SC..THydrogen-bonded Turntrans-51.3153.3163.2-74.55.6000110.9A143 F183 L186 V259A143-F427 HydrophobicContact CB-CB 4.12Å; F183-F427 AromaticContact CE1-CE2 3.93Å; F183-F427 HydrophobicContact CE1-CE2 3.93Å; F183-F427 HydrophobicContact CE1-CZ 4.36Å; L186-F427 HydrophobicContact CD1-CE2 4.11Å; V259-F427 HydrophobicContact CB-CD1 4.28Å; V259-F427 HydrophobicContact CB-CD2 4.2Å; V259-F427 HydrophobicContact CB-CE1 4.16Å; V259-F427 HydrophobicContact CB-CE2 4.07Å; V259-F427 HydrophobicContact CB-CG 4.31Å; V259-F427 HydrophobicContact CB-CZ 4.05Å; V259-F427 HydrophobicContact CG1-CD2 3.73Å; V259-F427 HydrophobicContact CG1-CE2 3.81Å; V259-F427 HydrophobicContact CG1-CG 4.18Å; V259-F427 HydrophobicContact CG1-CZ 4.31Å; V259-F427 WeakPolarHBondContact O-CE1 3.42Å
428G95.2Very high97.9Very high49 Ų4914.2 Ų14.251%0.5058%0.083SC..THydrogen-bonded Turntrans79.91.2-165.300000113.4L258L258-G428 PolarHBondContact O-N 2.86Å
429G96.2Very high97.8Very high5 Ų514 Ų145%0.0528%0.082CC..THydrogen-bonded Turntrans70.541.1179.700000112G253 D254 G426G253-G429 CarbonylContact C-O 3.48Å; G253-G429 WeakPolarHBondContact CA-O 3.25Å; D254-G429 PolarHBondContact N-O 3.41Å; G426-G429 PolarHBondContact O-N 2.93Å; G426-G429 VanDerWaalsContact O-N 3.16Å
430T98Very high97.3Very high36 Ų3617.3 Ų17.322%0.22110%0.103CC..EExtended strand (participates in β ladder)trans-101.3121-179.954.10000109.6T142 F425 G426T142-T430 HydrophobicContact CG2-CG2 4.3Å; T142-T430 PolarHBondContact O-OG1 3.45Å; T142-T430 VanDerWaalsContact O-OG1 3.11Å; F425-T430 CarbonylContact C-O 3.57Å; F425-T430 WeakPolarHBondContact CA-O 3.42Å; G426-T430 PolarHBondContact N-O 3.5Å; G426-T430 PolarHBondContact O-N 3.4Å
431N98.7Very high96.2Very high4 Ų425.5 Ų25.52%0.02115%0.147CC..EExtended strand (participates in β ladder)trans-116.9142.6-174.3-51.3-60.4000111.1H149 R251 S252 D254 F425H149-N431 PolarHBondContact NE2-O 3.49Å; R251-N431 VanDerWaalsContact CA-O 3.27Å; R251-N431 WeakPolarHBondContact CA-O 3.26Å; S252-N431 PolarHBondContact N-O 2.79Å; S252-N431 VanDerWaalsContact N-O 3.17Å; S252-N431 PolarHBondContact O-N 3.26Å; S252-N431 WeakPolarHBondContact OG-CB 3.44Å; S252-N431 PolarHBondContact OG-ND2 3.13Å; D254-N431 PolarHBondContact OD1-ND2 3.23Å; F425-N431 HydrophobicContact CD1-CB 3.64Å; F425-N431 WeakPolarHBondContact CD1-OD1 3.42Å; F425-N431 HydrophobicContact CE1-CB 4.05Å
432G98.8Very high96Very high0 Ų026.8 Ų26.80%015%0.154CC..EExtended strand (participates in β ladder)trans-139141.4173.500000111.7H149 G250 S424H149-G432 WeakPolarHBondContact NE2-CA 3.4Å; G250-G432 WeakPolarHBondContact O-CA 3.13Å; S424-G432 PolarHBondContact N-O 2.73Å; S424-G432 PolarHBondContact O-N 3.06Å
433T98.9Very high95.9Very high0 Ų028.2 Ų28.20%016%0.162CC..EExtended strand (participates in β ladder)trans-134.4135.9174-610000109.7F249 G250 S271 M272 A275 M421 T422 N423F249-T433 WeakPolarHBondContact CD2-O 3.1Å; G250-T433 PolarHBondContact N-O 3.09Å; G250-T433 PolarHBondContact O-N 3.02Å; S271-T433 PolarHBondContact OG-OG1 3.27Å; M272-T433 HydrophobicContact CG-CG2 4.13Å; M272-T433 WeakPolarHBondContact CG-OG1 3.18Å; M272-T433 PolarHBondContact N-OG1 2.96Å; A275-T433 HydrophobicContact CB-CG2 3.64Å; M421-T433 HydrophobicContact CE-CG2 4.22Å; M421-T433 HydrophobicContact CG-CG2 3.39Å; M421-T433 HydrophobicContact SD-CG2 4.01Å; T422-T433 CarbonylContact O-C 3.58Å; T422-T433 VanDerWaalsContact O-CA 3.24Å; T422-T433 WeakPolarHBondContact O-CA 3.45Å; N423-T433 VanDerWaalsContact OD1-CG2 3.29Å; N423-T433 WeakPolarHBondContact OD1-CG2 3.35Å; N423-T433 PolarHBondContact OD1-OG1 3.4Å
434L98.9Very high95.7Very high0 Ų029.8 Ų29.80%017%0.171CC..EExtended strand (participates in β ladder)trans-119.3137.6175.5-159.670.9000109.8L148 I151 V246 G248 F249 T345 T422 I436L148-L434 HydrophobicContact CD1-CB 4.39Å; L148-L434 HydrophobicContact CD2-CB 4.4Å; L148-L434 HydrophobicContact CG-CB 4.32Å; I151-L434 HydrophobicContact CG2-CD2 3.68Å; V246-L434 HydrophobicContact CG1-CD1 3.58Å; V246-L434 HydrophobicContact CG1-CD2 4.38Å; V246-L434 HydrophobicContact CG1-CG 4.03Å; V246-L434 HydrophobicContact CG2-CD2 4.2Å; G248-L434 CarbonylContact O-C 3.58Å; G248-L434 WeakPolarHBondContact O-CA 3.48Å; F249-L434 HydrophobicContact CB-CD1 3.96Å; F249-L434 HydrophobicContact CD2-CD1 4.06Å; F249-L434 HydrophobicContact CG-CD1 4.33Å; T345-L434 HydrophobicContact CG2-CD2 3.91Å; T422-L434 PolarHBondContact N-O 3.48Å; T422-L434 PolarHBondContact O-N 3.38Å; L434-I436 HydrophobicContact CD2-CD1 3.99Å; L434-I436 HydrophobicContact CD2-CG1 3.85Å; L434-I436 HydrophobicContact CG-CG1 4.14Å
435L98.8Very high95.5Very high0 Ų031.5 Ų31.50%018%0.182CC..EExtended strand (participates in β ladder)trans-102.5123.2167-70.7-167.4000109.6I247 G248 A275 S279 L281 I287 V420 M421I247-L435 HydrophobicContact CD1-CB 4.22Å; I247-L435 HydrophobicContact CG1-CB 3.66Å; I247-L435 PolarHBondContact N-O 2.82Å; G248-L435 PolarHBondContact N-O 3.36Å; G248-L435 PolarHBondContact O-N 3.3Å; A275-L435 HydrophobicContact CB-CG 4.34Å; S279-L435 WeakPolarHBondContact OG-CD1 3.46Å; L281-L435 HydrophobicContact CD1-CD1 3.88Å; I287-L435 HydrophobicContact CD1-CD1 4.19Å; I287-L435 HydrophobicContact CD1-CD2 4.01Å; I287-L435 HydrophobicContact CG1-CD2 4.44Å; V420-L435 WeakPolarHBondContact O-CA 3.43Å; M421-L435 VanDerWaalsContact CA-CD2 3.44Å; M421-L435 HydrophobicContact CB-CD2 3.43Å; M421-L435 VanDerWaalsContact CB-CD2 3.43Å; M421-L435 HydrophobicContact CE-CD2 3.82Å; M421-L435 HydrophobicContact CG-CD2 3.75Å
436I98.8Very high95.3Very high3 Ų331.9 Ų31.92%0.01519%0.186CC..EExtended strand (participates in β ladder)trans-120.6134.9179.9-56.1157.4000108A244 E245 T345 A349 V352 I419 V420 L434A244-I436 HydrophobicContact CB-CG2 3.54Å; E245-I436 CarbonylContact O-C 3.58Å; E245-I436 VanDerWaalsContact O-CA 3.29Å; E245-I436 WeakPolarHBondContact O-CA 3.44Å; T345-I436 HydrophobicContact CG2-CD1 3.74Å; A349-I436 HydrophobicContact CB-CG2 4.44Å; V352-I436 HydrophobicContact CG2-CG2 4.15Å; I419-I436 WeakPolarHBondContact CA-O 3.28Å; V420-I436 HydrophobicContact CG1-CB 3.82Å; V420-I436 HydrophobicContact CG1-CD1 4.49Å; V420-I436 PolarHBondContact N-O 3.19Å; V420-I436 PolarHBondContact O-N 3.06Å; L434-I436 HydrophobicContact CD2-CD1 3.99Å; L434-I436 HydrophobicContact CD2-CG1 3.85Å; L434-I436 HydrophobicContact CG-CG1 4.14Å
437S97.9Very high95.2Very high0 Ų033.3 Ų33.30%019%0.191CC..EExtended strand (participates in β ladder)trans-122.6147-174.3-163.20000111.1A244 E245 R417 R418 I419 W439A244-S437 CarbonylContact C-O 3.47Å; A244-S437 WeakPolarHBondContact CA-O 3.38Å; A244-S437 WeakPolarHBondContact CB-O 3.47Å; E245-S437 PolarHBondContact N-O 3.11Å; E245-S437 PolarHBondContact O-N 3.32Å; R417-S437 WeakPolarHBondContact CD-OG 3.46Å; R417-S437 WeakPolarHBondContact CG-OG 3.42Å; R417-S437 PolarHBondContact NE-OG 3.45Å; R417-S437 PolarHBondContact NH1-OG 3.02Å; R417-S437 PolarHBondContact NH2-OG 2.65Å; R418-S437 CarbonylContact O-C 3.57Å; R418-S437 WeakPolarHBondContact O-CA 3.39Å; I419-S437 WeakPolarHBondContact CG1-OG 3.44Å; S437-W439 PolarHBondContact O-N 3.35Å
438E96.9Very high95.2Very high43 Ų4330.4 Ų30.420%0.20118%0.181CC..EExtended strand (participates in β ladder)trans-51.7128.1168.8167.5-177.6-153.800110.5V352 R417 R418 T440V352-E438 HydrophobicContact CB-CB 4.36Å; R417-E438 HydrophobicContact CG-CB 4.22Å; R417-E438 PolarHBondContact NE-O 2.95Å; R417-E438 PolarHBondContact NH2-O 3.18Å; R418-E438 HydrophobicContact CB-CB 4.13Å; R418-E438 IonicContact CZ-OE1 3.76Å; R418-E438 IonicContact CZ-OE2 3.93Å; R418-E438 VanDerWaalsContact CZ-OE2 3.24Å; R418-E438 PolarHBondContact N-OE2 3.29Å; R418-E438 IonicContact NE-OE2 3.66Å; R418-E438 IonicContact NH1-OE1 3.36Å; R418-E438 PolarHBondContact NH1-OE1 3.19Å; R418-E438 IonicContact NH1-OE2 3.99Å; R418-E438 PolarHBondContact NH1-OE2 3.22Å; R418-E438 IonicContact NH2-OE1 2.69Å; R418-E438 PolarHBondContact NH2-OE1 2.85Å; R418-E438 IonicContact NH2-OE2 2.61Å; R418-E438 PolarHBondContact O-N 3.07Å; E438-T440 PolarHBondContact O-N 2.98Å
439W94.4Very high95.2Very high37 Ų3728.9 Ų28.914%0.1416%0.157CC..  trans-66.2127.1172.4177.2-102.2000111.1W225 P242 E245 S437 D441W225-W439 AromaticContact CD1-CH2 3.17Å; W225-W439 AromaticContact CD1-CZ2 3.94Å; W225-W439 AromaticContact CD1-CZ3 3.89Å; W225-W439 HydrophobicContact CD2-CH2 4.15Å; W225-W439 HydrophobicContact CD2-CZ2 4.36Å; W225-W439 AromaticContact CE2-CH2 3.71Å; W225-W439 AromaticContact CE2-CZ2 3.64Å; W225-W439 AromaticContact CG-CH2 3.83Å; W225-W439 HydrophobicContact CG-CH2 3.83Å; W225-W439 HydrophobicContact CG-CZ3 4.28Å; W225-W439 AromaticContact CZ2-CZ2 3.99Å; W225-W439 HydrophobicContact CZ2-CZ2 3.99Å; W225-W439 AromaticContact NE1-CH2 3.07Å; W225-W439 AromaticContact NE1-CZ2 3.36Å; P242-W439 HydrophobicContact CB-CB 4.29Å; P242-W439 HydrophobicContact CB-CD2 3.59Å; P242-W439 HydrophobicContact CB-CE3 3.81Å; P242-W439 HydrophobicContact CB-CG 3.77Å; P242-W439 HydrophobicContact CG-CD2 3.73Å; P242-W439 HydrophobicContact CG-CE3 3.97Å; P242-W439 HydrophobicContact CG-CG 4.27Å; P242-W439 HydrophobicContact CG-CH2 4.44Å; P242-W439 HydrophobicContact CG-CZ2 4.15Å; P242-W439 HydrophobicContact CG-CZ3 4.32Å; E245-W439 HydrophobicContact CB-CE3 4.39Å; S437-W439 PolarHBondContact O-N 3.35Å; W439-D441 PolarHBondContact NE1-OD1 2.93Å
440T86.5Confident95.1Very high75 Ų7530.9 Ų30.946%0.4617%0.165SC..  trans-117.4129.2173.554.90000108.4E438E438-T440 PolarHBondContact O-N 2.98Å
441D74.5Confident94.8Very high173 Ų17330.5 Ų30.593%0.92516%0.16SC*.  trans-64.90-179.2-74.7-22.4000113.7K241 W439K241-D441 WeakPolarHBondContact CE-OD1 3.46Å; K241-D441 IonicContact NZ-OD1 3.16Å; K241-D441 PolarHBondContact NZ-OD1 3.28Å; K241-D441 IonicContact NZ-OD2 2.7Å; K241-D441 PolarHBondContact NZ-OD2 3.26Å; W439-D441 PolarHBondContact NE1-OD1 2.93Å

Retrieved 441 of 441 residues in 337.6 ms (Link to these results)

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