A0A5K4FD13_SCHMA Loading...

Cyclic nucleotide-binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FD13, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 730 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
1M44.5Very low69.9Low205 Ų20593 Ų93100%1.0150%0.502SS*.  0-460-70.8-98.9-177.400110.9T4 S5M1-T4 PolarHBondContact O-OG1 2.79Å; M1-S5 PolarHBondContact O-N 2.75Å; M1-S5 PolarHBondContact O-OG 2.65Å
2S54.5Low71.2Confident77 Ų7785.3 Ų85.354%0.53846%0.46SS..Hα-helixtrans-62.1-45.2176.645.30000113.9T4 S5 D6S2-T4 VanDerWaalsContact C-N 3.31Å; S2-T4 PolarHBondContact O-N 3.45Å; S2-S5 WeakPolarHBondContact CA-OG 3.29Å; S2-S5 PolarHBondContact O-N 3.37Å; S2-S5 VanDerWaalsContact O-N 3.09Å; S2-S5 PolarHBondContact O-OG 2.7Å; S2-D6 PolarHBondContact O-N 2.73Å
3T56.9Low72.5Confident91 Ų9179.6 Ų79.656%0.55843%0.431SS*.Hα-helixtrans-58.8-40.5-17950.60000113.2D6 I7T3-D6 PolarHBondContact O-N 3.27Å; T3-I7 WeakPolarHBondContact O-CD1 3.28Å; T3-I7 WeakPolarHBondContact O-CG1 3.36Å; T3-I7 PolarHBondContact O-N 2.82Å; T3-I7 VanDerWaalsContact O-N 3.09Å
4T60.1Low73.6Confident94 Ų9480 Ų8058%0.57744%0.437SS*.Hα-helixtrans-67.3-37.4176.8380000112.4M1 S2 F8M1-T4 PolarHBondContact O-OG1 2.79Å; S2-T4 VanDerWaalsContact C-N 3.31Å; S2-T4 PolarHBondContact O-N 3.45Å; T4-F8 VanDerWaalsContact O-CB 3.28Å; T4-F8 WeakPolarHBondContact O-CB 3.22Å; T4-F8 PolarHBondContact O-N 3.13Å
5S68.3Low74.5Confident61 Ų6175.1 Ų75.143%0.42741%0.411SS..Hα-helixtrans-71.3-36.3176.852.30000112.4M1 S2 F8 Y9M1-S5 PolarHBondContact O-N 2.75Å; M1-S5 PolarHBondContact O-OG 2.65Å; S2-S5 WeakPolarHBondContact CA-OG 3.29Å; S2-S5 PolarHBondContact O-N 3.37Å; S2-S5 VanDerWaalsContact O-N 3.09Å; S2-S5 PolarHBondContact O-OG 2.7Å; S5-F8 PolarHBondContact O-N 3.45Å; S5-Y9 WeakPolarHBondContact O-CB 3.38Å; S5-Y9 PolarHBondContact O-N 3.04Å
6D73Confident75.4Confident94 Ų9470.5 Ų70.550%0.50339%0.386SS..Hα-helixtrans-70.6-46-178.8-61.1-21.7000110.9S2 T3 F8 Y9 D10S2-D6 PolarHBondContact O-N 2.73Å; T3-D6 PolarHBondContact O-N 3.27Å; D6-F8 VanDerWaalsContact C-N 3.26Å; D6-F8 PolarHBondContact O-N 2.72Å; D6-Y9 WeakPolarHBondContact O-CB 3.38Å; D6-Y9 PolarHBondContact O-N 3.21Å; D6-Y9 VanDerWaalsContact O-N 3.14Å; D6-D10 PolarHBondContact O-N 2.95Å
7I75.7Confident76.3Confident108 Ų10873.5 Ų73.555%0.55439%0.394SS*.Hα-helixtrans-59.9-40174.7-65.3164.3000110.7T3 D10 K11T3-I7 WeakPolarHBondContact O-CD1 3.28Å; T3-I7 WeakPolarHBondContact O-CG1 3.36Å; T3-I7 PolarHBondContact O-N 2.82Å; T3-I7 VanDerWaalsContact O-N 3.09Å; I7-D10 PolarHBondContact O-N 3.02Å; I7-K11 PolarHBondContact O-N 2.75Å
8F80.4Confident77.1Confident54 Ų5472.6 Ų72.624%0.23739%0.386CS..Hα-helixtrans-68.2-39.2178-164.3-96.1000111.7T4 S5 D6 D10 K11 I12 E30 W34T4-F8 VanDerWaalsContact O-CB 3.28Å; T4-F8 WeakPolarHBondContact O-CB 3.22Å; T4-F8 PolarHBondContact O-N 3.13Å; S5-F8 PolarHBondContact O-N 3.45Å; D6-F8 VanDerWaalsContact C-N 3.26Å; D6-F8 PolarHBondContact O-N 2.72Å; F8-D10 PolarHBondContact O-N 2.9Å; F8-K11 WeakPolarHBondContact O-CB 2.8Å; F8-K11 PolarHBondContact O-N 2.67Å; F8-I12 HydrophobicContact CD1-CD1 3.71Å; F8-I12 HydrophobicContact CD1-CG1 4.17Å; F8-I12 HydrophobicContact CE1-CD1 3.7Å; F8-I12 HydrophobicContact CE1-CG1 4.01Å; F8-I12 WeakPolarHBondContact O-CG1 3.25Å; F8-I12 PolarHBondContact O-N 3.23Å; F8-I12 VanDerWaalsContact O-N 3.09Å; F8-E30 HydrophobicContact CE2-CG 4.26Å; F8-E30 WeakPolarHBondContact CZ-O 3.28Å; F8-W34 HydrophobicContact CD1-CB 4.29Å; F8-W34 AromaticContact CD1-CD1 3.79Å; F8-W34 HydrophobicContact CD1-CG 4.22Å; F8-W34 HydrophobicContact CE1-CB 3.56Å; F8-W34 AromaticContact CE1-CD1 3.95Å; F8-W34 AromaticContact CE1-CG 3.96Å; F8-W34 HydrophobicContact CE1-CG 3.96Å; F8-W34 HydrophobicContact CZ-CB 4.5Å
9Y84.4Confident77.7Confident39 Ų3971.6 Ų71.615%0.15338%0.384CS..Hα-helixtrans-61.9-42.6174.9-177.4-99.1000112.5S5 D6 K11 I12 V13 W34 L82 S83 H162S5-Y9 WeakPolarHBondContact O-CB 3.38Å; S5-Y9 PolarHBondContact O-N 3.04Å; D6-Y9 WeakPolarHBondContact O-CB 3.38Å; D6-Y9 PolarHBondContact O-N 3.21Å; D6-Y9 VanDerWaalsContact O-N 3.14Å; Y9-K11 VanDerWaalsContact C-N 3.29Å; Y9-K11 PolarHBondContact O-N 2.78Å; Y9-I12 WeakPolarHBondContact O-CB 3.15Å; Y9-I12 PolarHBondContact O-N 3.13Å; Y9-I12 VanDerWaalsContact O-N 3.11Å; Y9-V13 HydrophobicContact CD1-CG2 4.11Å; Y9-V13 HydrophobicContact CE1-CG2 3.58Å; Y9-V13 HydrophobicContact CE2-CG2 4.33Å; Y9-V13 WeakPolarHBondContact O-CG2 3.49Å; Y9-V13 PolarHBondContact O-N 2.63Å; Y9-W34 HydrophobicContact CD2-CH2 4.29Å; Y9-W34 AromaticContact CD2-CZ2 3.78Å; Y9-W34 HydrophobicContact CD2-CZ2 3.78Å; Y9-W34 HydrophobicContact CE2-CH2 4.21Å; Y9-W34 HydrophobicContact CE2-CZ2 4.11Å; Y9-L82 HydrophobicContact CE2-CB 4.32Å; Y9-S83 VanDerWaalsContact OH-CB 3.22Å; Y9-S83 WeakPolarHBondContact OH-CB 3.32Å; Y9-S83 PolarHBondContact OH-OG 2.76Å; Y9-H162 AromaticContact CE1-ND1 3.94Å; Y9-H162 AromaticContact CZ-ND1 3.85Å; Y9-H162 WeakPolarHBondContact OH-CB 3.45Å; Y9-H162 PolarHBondContact OH-ND1 3.47Å
10D85.5Confident78.1Confident99 Ų9970.7 Ų70.753%0.52938%0.382SS..Hα-helixtrans-62.3-37.3176.7-72.9-22.8000112.1D6 I7 F8 V13 T14D6-D10 PolarHBondContact O-N 2.95Å; I7-D10 PolarHBondContact O-N 3.02Å; F8-D10 PolarHBondContact O-N 2.9Å; D10-V13 PolarHBondContact O-N 3.45Å; D10-T14 WeakPolarHBondContact O-CB 3.33Å; D10-T14 PolarHBondContact O-N 2.79Å; D10-T14 PolarHBondContact O-OG1 2.7Å
11K85.8Confident78.5Confident101 Ų10172.5 Ų72.544%0.43940%0.4SS..Hα-helixtrans-61.4-43.9171.8-74.4178.6163.7-165.30112I7 F8 Y9 T14 C15 E30I7-K11 PolarHBondContact O-N 2.75Å; F8-K11 WeakPolarHBondContact O-CB 2.8Å; F8-K11 PolarHBondContact O-N 2.67Å; Y9-K11 VanDerWaalsContact C-N 3.29Å; Y9-K11 PolarHBondContact O-N 2.78Å; K11-T14 PolarHBondContact O-N 2.95Å; K11-C15 WeakPolarHBondContact O-CB 3.34Å; K11-C15 PolarHBondContact O-N 3.29Å; K11-E30 IonicContact NZ-OE1 2.93Å; K11-E30 PolarHBondContact NZ-OE1 3.32Å
12I85.8Confident80.7Confident0 Ų068.6 Ų68.60%038%0.38CS..Hα-helixtrans-60.1-50.2177.8-64.5167.6000110.4F8 Y9 T14 C15 I16 I31 W34 F35F8-I12 HydrophobicContact CD1-CD1 3.71Å; F8-I12 HydrophobicContact CD1-CG1 4.17Å; F8-I12 HydrophobicContact CE1-CD1 3.7Å; F8-I12 HydrophobicContact CE1-CG1 4.01Å; F8-I12 WeakPolarHBondContact O-CG1 3.25Å; F8-I12 PolarHBondContact O-N 3.23Å; F8-I12 VanDerWaalsContact O-N 3.09Å; Y9-I12 WeakPolarHBondContact O-CB 3.15Å; Y9-I12 PolarHBondContact O-N 3.13Å; Y9-I12 VanDerWaalsContact O-N 3.11Å; I12-T14 VanDerWaalsContact C-N 3.27Å; I12-T14 PolarHBondContact O-N 2.89Å; I12-C15 PolarHBondContact O-N 2.79Å; I12-I16 HydrophobicContact CG2-CD1 3.59Å; I12-I16 HydrophobicContact CG2-CG1 4.4Å; I12-I16 WeakPolarHBondContact O-CG1 3.46Å; I12-I16 PolarHBondContact O-N 2.63Å; I12-I31 HydrophobicContact CG1-CB 4.09Å; I12-I31 HydrophobicContact CG1-CG2 3.8Å; I12-W34 HydrophobicContact CD1-CB 3.97Å; I12-W34 HydrophobicContact CD1-CD2 3.22Å; I12-W34 HydrophobicContact CD1-CE3 3.58Å; I12-W34 HydrophobicContact CD1-CG 3.4Å; I12-W34 HydrophobicContact CD1-CH2 4.45Å; I12-W34 HydrophobicContact CD1-CZ2 4.14Å; I12-W34 HydrophobicContact CD1-CZ3 4.19Å; I12-F35 HydrophobicContact CG2-CE2 4.07Å
13V87.9Confident82.4Confident12 Ų1265.8 Ų65.87%0.07336%0.357CS..Hα-helixtrans-60.2-41.2178.6173.10000110.6Y9 D10 I16 K17 F59Y9-V13 HydrophobicContact CD1-CG2 4.11Å; Y9-V13 HydrophobicContact CE1-CG2 3.58Å; Y9-V13 HydrophobicContact CE2-CG2 4.33Å; Y9-V13 WeakPolarHBondContact O-CG2 3.49Å; Y9-V13 PolarHBondContact O-N 2.63Å; D10-V13 PolarHBondContact O-N 3.45Å; V13-I16 PolarHBondContact O-N 2.77Å; V13-K17 HydrophobicContact CG1-CD 3.97Å; V13-K17 HydrophobicContact CG1-CG 4.4Å; V13-K17 WeakPolarHBondContact O-CB 3.42Å; V13-K17 VanDerWaalsContact O-CG 3.25Å; V13-K17 WeakPolarHBondContact O-CG 3.18Å; V13-K17 PolarHBondContact O-N 2.87Å; V13-F59 HydrophobicContact CB-CE2 4.39Å; V13-F59 HydrophobicContact CG1-CD2 4.23Å; V13-F59 HydrophobicContact CG1-CE1 4.43Å; V13-F59 HydrophobicContact CG1-CE2 3.71Å; V13-F59 HydrophobicContact CG1-CZ 3.82Å; V13-F59 HydrophobicContact CG2-CE2 4.05Å
14T88Confident83.9Confident85 Ų8564.6 Ų64.652%0.52135%0.35SS..Hα-helixtrans-63.1-42177.5-56.70000111.8D10 K11 I12D10-T14 WeakPolarHBondContact O-CB 3.33Å; D10-T14 PolarHBondContact O-N 2.79Å; D10-T14 PolarHBondContact O-OG1 2.7Å; K11-T14 PolarHBondContact O-N 2.95Å; I12-T14 VanDerWaalsContact C-N 3.27Å; I12-T14 PolarHBondContact O-N 2.89Å
15C87.3Confident85.2Confident6 Ų665.9 Ų65.94%0.04135%0.352CS..Hα-helixtrans-64.7-48.2177.4-178.20000112K11 I12 K17 K18 R23 I31K11-C15 WeakPolarHBondContact O-CB 3.34Å; K11-C15 PolarHBondContact O-N 3.29Å; I12-C15 PolarHBondContact O-N 2.79Å; C15-K17 VanDerWaalsContact C-N 3.28Å; C15-K17 PolarHBondContact O-N 3Å; C15-K18 WeakPolarHBondContact O-CB 3.38Å; C15-K18 PolarHBondContact O-N 3.36Å; C15-K18 VanDerWaalsContact O-N 3.13Å; C15-R23 PolarHBondContact O-NE 3.42Å; C15-I31 HydrophobicContact CB-CD1 4.04Å
16I88.2Confident86.2Confident2 Ų268.8 Ų68.81%0.0136%0.363CS..Hα-helixtrans-71.9-23.4-177.5-55.8165.3000111.9I12 V13 K18 R23 F35 F59 L82I12-I16 HydrophobicContact CG2-CD1 3.59Å; I12-I16 HydrophobicContact CG2-CG1 4.4Å; I12-I16 WeakPolarHBondContact O-CG1 3.46Å; I12-I16 PolarHBondContact O-N 2.63Å; V13-I16 PolarHBondContact O-N 2.77Å; I16-K18 VanDerWaalsContact C-N 3.27Å; I16-K18 PolarHBondContact O-N 3.2Å; I16-R23 PolarHBondContact O-NH2 2.74Å; I16-F35 HydrophobicContact CD1-CE2 3.92Å; I16-F35 HydrophobicContact CD1-CZ 3.55Å; I16-F59 HydrophobicContact CB-CB 4.35Å; I16-F59 HydrophobicContact CG2-CB 3.84Å; I16-L82 HydrophobicContact CD1-CD1 3.88Å
17K91.3Very high86.9Confident121 Ų12166.9 Ų66.953%0.52635%0.351SS..Hα-helixtrans-68.9-23.3172-80.3178.7176.2-176.80113.3V13 C15 F59V13-K17 HydrophobicContact CG1-CD 3.97Å; V13-K17 HydrophobicContact CG1-CG 4.4Å; V13-K17 WeakPolarHBondContact O-CB 3.42Å; V13-K17 VanDerWaalsContact O-CG 3.25Å; V13-K17 WeakPolarHBondContact O-CG 3.18Å; V13-K17 PolarHBondContact O-N 2.87Å; C15-K17 VanDerWaalsContact C-N 3.28Å; C15-K17 PolarHBondContact O-N 3Å; K17-F59 HydrophobicContact CD-CD1 4.25Å; K17-F59 HydrophobicContact CD-CE1 4.46Å; K17-F59 VanDerWaalsContact CE-CD1 3.41Å; K17-F59 HydrophobicContact CG-CB 3.96Å; K17-F59 HydrophobicContact CG-CD1 3.74Å; K17-F59 HydrophobicContact CG-CE1 4.42Å; K17-F59 HydrophobicContact CG-CG 3.87Å
18K90.7Very high87.5Confident57 Ų5762.1 Ų62.125%0.24833%0.326CS..SBendtrans-70.2147.4174.8-61.8178.4-172.5177.10110.5C15 I16 E22 R23 E27C15-K18 WeakPolarHBondContact O-CB 3.38Å; C15-K18 PolarHBondContact O-N 3.36Å; C15-K18 VanDerWaalsContact O-N 3.13Å; I16-K18 VanDerWaalsContact C-N 3.27Å; I16-K18 PolarHBondContact O-N 3.2Å; K18-E22 HydrophobicContact CB-CB 4.35Å; K18-R23 HydrophobicContact CB-CG 4.11Å; K18-R23 VanDerWaalsContact O-CZ 3.24Å; K18-R23 PolarHBondContact O-NE 2.9Å; K18-R23 PolarHBondContact O-NH2 3.19Å; K18-E27 IonicContact NZ-OE1 2.67Å; K18-E27 PolarHBondContact NZ-OE1 3.37Å; K18-E27 IonicContact NZ-OE2 2.79Å; K18-E27 PolarHBondContact NZ-OE2 3.27Å
19P88Confident87.8Confident54 Ų5464 Ų6435%0.35134%0.336SS..  trans-62.5153170.927.9-34.7000111.2S21 E22P19-S21 PolarHBondContact O-N 3.49Å; P19-E22 WeakPolarHBondContact CD-OE2 3.19Å; P19-E22 HydrophobicContact CG-CB 4Å; P19-E22 HydrophobicContact CG-CG 3.74Å; P19-E22 PolarHBondContact O-N 3.4Å
20P85.5Confident88Confident54 Ų5466.6 Ų66.635%0.35135%0.349SS..THydrogen-bonded Turntrans-53.8-27.6-178.1-30.136.7000115.4E22 K55P20-E22 VanDerWaalsContact C-N 3.35Å; P20-K55 WeakPolarHBondContact CB-O 3.38Å
21S87Confident88.1Confident109 Ų10962 Ų6276%0.76233%0.325SS*.THydrogen-bonded Turntrans-73-23.6178.349.30000114P19P19-S21 PolarHBondContact O-N 3.49Å
22E90Very high88.1Confident123 Ų12357.6 Ų57.658%0.57531%0.307SS*.THydrogen-bonded Turntrans-100.3-6.3-176.5-69.1175.9-16700113K18 P19 P20 T24K18-E22 HydrophobicContact CB-CB 4.35Å; P19-E22 WeakPolarHBondContact CD-OE2 3.19Å; P19-E22 HydrophobicContact CG-CB 4Å; P19-E22 HydrophobicContact CG-CG 3.74Å; P19-E22 PolarHBondContact O-N 3.4Å; P20-E22 VanDerWaalsContact C-N 3.35Å; E22-T24 PolarHBondContact O-N 3.24Å
23R90.4Very high88.1Confident17 Ų1761.6 Ų61.66%0.06433%0.333CS..  trans-78.9117.1176.6-62.6-179.2-163.5168.111.6109.5C15 I16 K18 I28 I54 K55 C57C15-R23 PolarHBondContact O-NE 3.42Å; I16-R23 PolarHBondContact O-NH2 2.74Å; K18-R23 HydrophobicContact CB-CG 4.11Å; K18-R23 VanDerWaalsContact O-CZ 3.24Å; K18-R23 PolarHBondContact O-NE 2.9Å; K18-R23 PolarHBondContact O-NH2 3.19Å; R23-I28 HydrophobicContact CB-CD1 4.19Å; R23-I28 HydrophobicContact CB-CG1 4.4Å; R23-I54 PolarHBondContact NH1-O 2.76Å; R23-K55 PolarHBondContact NH1-O 2.79Å; R23-C57 PolarHBondContact NH1-O 2.89Å; R23-C57 PolarHBondContact NH2-O 2.7Å
24T88.8Confident88Confident66 Ų6662.3 Ų62.341%0.40533%0.334SS..  trans-77.1156.1177.163.10000110.8E22 D26 E27 I28E22-T24 PolarHBondContact O-N 3.24Å; T24-D26 VanDerWaalsContact C-N 3.29Å; T24-D26 PolarHBondContact O-N 3.26Å; T24-E27 PolarHBondContact O-N 2.69Å; T24-E27 WeakPolarHBondContact OG1-CB 3.41Å; T24-E27 WeakPolarHBondContact OG1-CG 3.33Å; T24-E27 PolarHBondContact OG1-N 2.84Å; T24-I28 WeakPolarHBondContact O-CG1 3.29Å; T24-I28 PolarHBondContact O-N 2.76Å
25I87.1Confident87.7Confident121 Ų12158.4 Ų58.462%0.62131%0.31SS*.Hα-helixtrans-62-42.7178-62.3169.3000109.8E27 I28 E29I25-E27 PolarHBondContact O-N 2.8Å; I25-I28 WeakPolarHBondContact O-CB 3.25Å; I25-I28 PolarHBondContact O-N 3.3Å; I25-I28 VanDerWaalsContact O-N 3.13Å; I25-E29 HydrophobicContact CG2-CG 4.34Å; I25-E29 WeakPolarHBondContact O-CG 3.36Å; I25-E29 PolarHBondContact O-N 2.71Å
26D88.5Confident87.7Confident122 Ų12260.4 Ų60.465%0.65232%0.322SS*.Hα-helixtrans-60.6-41.8179.2-54-32.1000112.4T24 I28 E29 E30T24-D26 VanDerWaalsContact C-N 3.29Å; T24-D26 PolarHBondContact O-N 3.26Å; D26-I28 VanDerWaalsContact C-N 3.33Å; D26-I28 PolarHBondContact O-N 2.91Å; D26-E29 PolarHBondContact O-N 3.2Å; D26-E30 PolarHBondContact O-N 3.43Å
27E87.7Confident87.5Confident54 Ų5466.6 Ų66.625%0.25235%0.351SS..Hα-helixtrans-63.3-39.2175.9-78176.6-176.700111.8K18 T24 I25 E30 I31K18-E27 IonicContact NZ-OE1 2.67Å; K18-E27 PolarHBondContact NZ-OE1 3.37Å; K18-E27 IonicContact NZ-OE2 2.79Å; K18-E27 PolarHBondContact NZ-OE2 3.27Å; T24-E27 PolarHBondContact O-N 2.69Å; T24-E27 WeakPolarHBondContact OG1-CB 3.41Å; T24-E27 WeakPolarHBondContact OG1-CG 3.33Å; T24-E27 PolarHBondContact OG1-N 2.84Å; I25-E27 PolarHBondContact O-N 2.8Å; E27-E30 PolarHBondContact O-N 2.9Å; E27-I31 WeakPolarHBondContact O-CG1 3.48Å; E27-I31 PolarHBondContact O-N 3.37Å
28I88.5Confident87Confident9 Ų964.4 Ų64.45%0.04634%0.341CS..Hα-helixtrans-67.3-42.7178-66.5165.6000110.3R23 T24 I25 D26 E30 I31 C32 K51 I54 K55R23-I28 HydrophobicContact CB-CD1 4.19Å; R23-I28 HydrophobicContact CB-CG1 4.4Å; T24-I28 WeakPolarHBondContact O-CG1 3.29Å; T24-I28 PolarHBondContact O-N 2.76Å; I25-I28 WeakPolarHBondContact O-CB 3.25Å; I25-I28 PolarHBondContact O-N 3.3Å; I25-I28 VanDerWaalsContact O-N 3.13Å; D26-I28 VanDerWaalsContact C-N 3.33Å; D26-I28 PolarHBondContact O-N 2.91Å; I28-E30 VanDerWaalsContact C-N 3.33Å; I28-I31 WeakPolarHBondContact O-CG1 3.43Å; I28-I31 PolarHBondContact O-N 2.9Å; I28-C32 VanDerWaalsContact O-CB 3.3Å; I28-C32 WeakPolarHBondContact O-CB 3.45Å; I28-C32 PolarHBondContact O-N 3.22Å; I28-K51 HydrophobicContact CG2-CB 4.04Å; I28-K51 HydrophobicContact CG2-CG 4.11Å; I28-I54 HydrophobicContact CB-CG2 4.4Å; I28-I54 HydrophobicContact CG1-CG2 4.18Å; I28-I54 HydrophobicContact CG2-CB 4.1Å; I28-I54 HydrophobicContact CG2-CG2 3.88Å; I28-K55 HydrophobicContact CD1-CB 3.86Å; I28-K55 HydrophobicContact CD1-CG 4.06Å
29E88.4Confident86.5Confident94 Ų9461.8 Ų61.844%0.43933%0.33SS..Hα-helixtrans-65.7-35.3177.7-70-167.3160.900112.5I25 D26 P33 K51I25-E29 HydrophobicContact CG2-CG 4.34Å; I25-E29 WeakPolarHBondContact O-CG 3.36Å; I25-E29 PolarHBondContact O-N 2.71Å; D26-E29 PolarHBondContact O-N 3.2Å; E29-P33 VanDerWaalsContact O-CD 3.31Å; E29-P33 WeakPolarHBondContact O-CD 3.24Å; E29-K51 IonicContact OE1-NZ 2.96Å; E29-K51 PolarHBondContact OE1-NZ 2.88Å
30E87.6Confident85.9Confident92 Ų9267.9 Ų67.943%0.4335%0.351SS..Hα-helixtrans-63-42.7175-170.4-177.6168.600111.6F8 K11 D26 E27 I28 P33F8-E30 HydrophobicContact CE2-CG 4.26Å; F8-E30 WeakPolarHBondContact CZ-O 3.28Å; K11-E30 IonicContact NZ-OE1 2.93Å; K11-E30 PolarHBondContact NZ-OE1 3.32Å; D26-E30 PolarHBondContact O-N 3.43Å; E27-E30 PolarHBondContact O-N 2.9Å; I28-E30 VanDerWaalsContact C-N 3.33Å; E30-P33 WeakPolarHBondContact O-CD 3.35Å
31I86.7Confident85.4Confident4 Ų467.8 Ų67.82%0.02135%0.345CS..Hα-helixtrans-89.4-18-17567.7178.8000114.6I12 C15 E27 I28 P33 W34 F35 I54I12-I31 HydrophobicContact CG1-CB 4.09Å; I12-I31 HydrophobicContact CG1-CG2 3.8Å; C15-I31 HydrophobicContact CB-CD1 4.04Å; E27-I31 WeakPolarHBondContact O-CG1 3.48Å; E27-I31 PolarHBondContact O-N 3.37Å; I28-I31 WeakPolarHBondContact O-CG1 3.43Å; I28-I31 PolarHBondContact O-N 2.9Å; I31-P33 VanDerWaalsContact C-CD 3.48Å; I31-W34 PolarHBondContact O-N 3.13Å; I31-W34 VanDerWaalsContact O-N 3.16Å; I31-F35 HydrophobicContact CD1-CE2 4.3Å; I31-F35 PolarHBondContact O-N 2.92Å; I31-I54 HydrophobicContact CD1-CG2 3.48Å; I31-I54 VanDerWaalsContact CD1-CG2 3.48Å; I31-I54 HydrophobicContact CG1-CD1 4.49Å; I31-I54 HydrophobicContact CG1-CG2 3.91Å
32C86.8Confident85Confident8 Ų862.6 Ų62.65%0.05431%0.309CS..Hα-helixtrans-53.7-44.3-178.3-174.40000113.9I28 W34 F35 V36 I54I28-C32 VanDerWaalsContact O-CB 3.3Å; I28-C32 WeakPolarHBondContact O-CB 3.45Å; I28-C32 PolarHBondContact O-N 3.22Å; C32-W34 VanDerWaalsContact C-N 3.27Å; C32-W34 PolarHBondContact O-N 3.21Å; C32-F35 WeakPolarHBondContact O-CB 3.25Å; C32-F35 PolarHBondContact O-N 3.41Å; C32-F35 VanDerWaalsContact O-N 3.14Å; C32-V36 WeakPolarHBondContact O-CG2 3.49Å; C32-V36 PolarHBondContact O-N 3.42Å; C32-V36 VanDerWaalsContact O-N 3.09Å; C32-I54 HydrophobicContact CB-CD1 3.92Å
33P86.2Confident84.3Confident84 Ų8460.2 Ų60.255%0.54531%0.306SS..Hα-helixtrans-57.5-37.3178.5-26.635.8000113.6E29 E30 I31 V36 E37E29-P33 VanDerWaalsContact O-CD 3.31Å; E29-P33 WeakPolarHBondContact O-CD 3.24Å; E30-P33 WeakPolarHBondContact O-CD 3.35Å; I31-P33 VanDerWaalsContact C-CD 3.48Å; P33-V36 PolarHBondContact O-N 3.47Å; P33-E37 WeakPolarHBondContact O-CB 3.5Å; P33-E37 PolarHBondContact O-N 3.3Å
34W84.5Confident83.7Confident27 Ų2766.1 Ų66.110%0.10234%0.338CS..Hα-helixtrans-68.9-38.3178.7-178.9102.9000112.2F8 Y9 I12 I31 C32 V36 E37 K38 L82F8-W34 HydrophobicContact CD1-CB 4.29Å; F8-W34 AromaticContact CD1-CD1 3.79Å; F8-W34 HydrophobicContact CD1-CG 4.22Å; F8-W34 HydrophobicContact CE1-CB 3.56Å; F8-W34 AromaticContact CE1-CD1 3.95Å; F8-W34 AromaticContact CE1-CG 3.96Å; F8-W34 HydrophobicContact CE1-CG 3.96Å; F8-W34 HydrophobicContact CZ-CB 4.5Å; Y9-W34 HydrophobicContact CD2-CH2 4.29Å; Y9-W34 AromaticContact CD2-CZ2 3.78Å; Y9-W34 HydrophobicContact CD2-CZ2 3.78Å; Y9-W34 HydrophobicContact CE2-CH2 4.21Å; Y9-W34 HydrophobicContact CE2-CZ2 4.11Å; I12-W34 HydrophobicContact CD1-CB 3.97Å; I12-W34 HydrophobicContact CD1-CD2 3.22Å; I12-W34 HydrophobicContact CD1-CE3 3.58Å; I12-W34 HydrophobicContact CD1-CG 3.4Å; I12-W34 HydrophobicContact CD1-CH2 4.45Å; I12-W34 HydrophobicContact CD1-CZ2 4.14Å; I12-W34 HydrophobicContact CD1-CZ3 4.19Å; I31-W34 PolarHBondContact O-N 3.13Å; I31-W34 VanDerWaalsContact O-N 3.16Å; C32-W34 VanDerWaalsContact C-N 3.27Å; C32-W34 PolarHBondContact O-N 3.21Å; W34-V36 VanDerWaalsContact C-N 3.34Å; W34-E37 PolarHBondContact O-N 3.46Å; W34-K38 HydrophobicContact CD2-CG 3.68Å; W34-K38 VanDerWaalsContact CE2-CG 3.48Å; W34-K38 HydrophobicContact CE3-CB 4.37Å; W34-K38 HydrophobicContact CE3-CG 3.99Å; W34-K38 HydrophobicContact CG-CG 4.29Å; W34-K38 HydrophobicContact CH2-CB 4.39Å; W34-K38 HydrophobicContact CH2-CG 3.94Å; W34-K38 HydrophobicContact CZ2-CG 3.64Å; W34-K38 HydrophobicContact CZ3-CB 4.3Å; W34-K38 HydrophobicContact CZ3-CG 4.11Å; W34-K38 WeakPolarHBondContact O-CB 3.41Å; W34-K38 WeakPolarHBondContact O-CG 3.23Å; W34-K38 PolarHBondContact O-N 3.12Å; W34-L82 HydrophobicContact CH2-CD2 4.27Å; W34-L82 HydrophobicContact CZ3-CD2 4Å
35F83.1Confident83.4Confident2 Ų264.4 Ų64.41%0.00933%0.327CS..Hα-helixtrans-61.7-44.6174.2-92.5-83.2000111.4I12 I16 I31 C32 E37 K38 V39 F42 V50 I54 L82I12-F35 HydrophobicContact CG2-CE2 4.07Å; I16-F35 HydrophobicContact CD1-CE2 3.92Å; I16-F35 HydrophobicContact CD1-CZ 3.55Å; I31-F35 HydrophobicContact CD1-CE2 4.3Å; I31-F35 PolarHBondContact O-N 2.92Å; C32-F35 WeakPolarHBondContact O-CB 3.25Å; C32-F35 PolarHBondContact O-N 3.41Å; C32-F35 VanDerWaalsContact O-N 3.14Å; F35-E37 VanDerWaalsContact C-N 3.33Å; F35-E37 PolarHBondContact O-N 3.38Å; F35-K38 PolarHBondContact O-N 3.36Å; F35-V39 HydrophobicContact CD1-CG2 4.44Å; F35-V39 VanDerWaalsContact O-CB 3.23Å; F35-V39 WeakPolarHBondContact O-CB 3.45Å; F35-V39 PolarHBondContact O-N 3.29Å; F35-F42 HydrophobicContact CB-CD2 4.1Å; F35-F42 HydrophobicContact CB-CE2 4.3Å; F35-F42 HydrophobicContact CD1-CD2 4.39Å; F35-F42 AromaticContact CD1-CE2 3.85Å; F35-F42 HydrophobicContact CD1-CE2 3.85Å; F35-F42 HydrophobicContact CG-CE2 4.5Å; F35-V50 HydrophobicContact CB-CG1 4.36Å; F35-I54 HydrophobicContact CB-CD1 4.06Å; F35-I54 HydrophobicContact CD2-CD1 3.63Å; F35-I54 HydrophobicContact CD2-CG1 3.76Å; F35-I54 HydrophobicContact CE2-CD1 4.26Å; F35-I54 HydrophobicContact CE2-CG1 3.96Å; F35-I54 HydrophobicContact CG-CD1 3.94Å; F35-I54 HydrophobicContact CG-CG1 4.04Å; F35-I54 HydrophobicContact CZ-CG1 4.39Å; F35-L82 HydrophobicContact CE1-CD2 3.84Å; F35-L82 HydrophobicContact CZ-CD2 3.91Å
36V85.8Confident83.3Confident49 Ų4964.5 Ų64.530%0.29733%0.329SS..Hα-helixtrans-63.7-39.1176.7177.10000111.6C32 P33 W34 F42 V50C32-V36 WeakPolarHBondContact O-CG2 3.49Å; C32-V36 PolarHBondContact O-N 3.42Å; C32-V36 VanDerWaalsContact O-N 3.09Å; P33-V36 PolarHBondContact O-N 3.47Å; W34-V36 VanDerWaalsContact C-N 3.34Å; V36-F42 HydrophobicContact CG2-CB 4.47Å; V36-V50 HydrophobicContact CG2-CG1 4.17Å; V36-V50 HydrophobicContact CG2-CG2 4.41Å
37E84.3Confident83.1Confident131 Ų13161.8 Ų61.861%0.61232%0.319SS*.Hα-helixtrans-68.7-44.6177.9-169.7-156.3127.700112.4P33 W34 F35P33-E37 WeakPolarHBondContact O-CB 3.5Å; P33-E37 PolarHBondContact O-N 3.3Å; W34-E37 PolarHBondContact O-N 3.46Å; F35-E37 VanDerWaalsContact C-N 3.33Å; F35-E37 PolarHBondContact O-N 3.38Å
38K80.5Confident83Confident76 Ų7664.9 Ų64.933%0.3334%0.337SS..Hα-helixtrans-79.5-37.3-175.4-66.1-47.9-178.4-1500113.1W34 F35 K40 G136W34-K38 HydrophobicContact CD2-CG 3.68Å; W34-K38 VanDerWaalsContact CE2-CG 3.48Å; W34-K38 HydrophobicContact CE3-CB 4.37Å; W34-K38 HydrophobicContact CE3-CG 3.99Å; W34-K38 HydrophobicContact CG-CG 4.29Å; W34-K38 HydrophobicContact CH2-CB 4.39Å; W34-K38 HydrophobicContact CH2-CG 3.94Å; W34-K38 HydrophobicContact CZ2-CG 3.64Å; W34-K38 HydrophobicContact CZ3-CB 4.3Å; W34-K38 HydrophobicContact CZ3-CG 4.11Å; W34-K38 WeakPolarHBondContact O-CB 3.41Å; W34-K38 WeakPolarHBondContact O-CG 3.23Å; W34-K38 PolarHBondContact O-N 3.12Å; F35-K38 PolarHBondContact O-N 3.36Å; K38-K40 PolarHBondContact O-N 3.12Å; K38-G136 VanDerWaalsContact O-CA 3.31Å; K38-G136 WeakPolarHBondContact O-CA 3.49Å
39V81.1Confident83Confident1 Ų166.2 Ų66.21%0.00635%0.346CS..SBendtrans-99.293.2-176.2-176.40000108.3F35 F41 F42 I80F35-V39 HydrophobicContact CD1-CG2 4.44Å; F35-V39 VanDerWaalsContact O-CB 3.23Å; F35-V39 WeakPolarHBondContact O-CB 3.45Å; F35-V39 PolarHBondContact O-N 3.29Å; V39-F41 HydrophobicContact CG1-CD1 3.2Å; V39-F41 HydrophobicContact CG1-CE1 3.01Å; V39-F41 HydrophobicContact CG1-CG 4.1Å; V39-F41 HydrophobicContact CG1-CZ 3.81Å; V39-F41 PolarHBondContact O-N 3.47Å; V39-F42 HydrophobicContact CB-CB 4.26Å; V39-F42 HydrophobicContact CB-CD1 4.48Å; V39-F42 HydrophobicContact CB-CD2 3.67Å; V39-F42 HydrophobicContact CB-CE2 4.15Å; V39-F42 HydrophobicContact CB-CG 3.86Å; V39-F42 HydrophobicContact CG1-CB 4.34Å; V39-F42 HydrophobicContact CG1-CD1 3.83Å; V39-F42 HydrophobicContact CG1-CD2 3.85Å; V39-F42 HydrophobicContact CG1-CE1 4.15Å; V39-F42 HydrophobicContact CG1-CE2 4.13Å; V39-F42 HydrophobicContact CG1-CG 3.7Å; V39-F42 HydrophobicContact CG1-CZ 4.28Å; V39-F42 HydrophobicContact CG2-CD2 4.16Å; V39-F42 HydrophobicContact CG2-CE2 4.23Å; V39-F42 WeakPolarHBondContact O-CB 3.06Å; V39-F42 PolarHBondContact O-N 3.21Å; V39-I80 HydrophobicContact CG2-CG2 3.67Å
40K74.4Confident83Confident182 Ų18261.7 Ų61.779%0.79133%0.325SS*.G310 helixtrans-52.7-29.8-172.7-67.2-175.4179.6-1790114.7K38 F42 S43K38-K40 PolarHBondContact O-N 3.12Å; K40-F42 VanDerWaalsContact C-N 3.34Å; K40-S43 PolarHBondContact O-OG 3.45Å
41F75.4Confident83.1Confident52 Ų5259.9 Ų59.923%0.22832%0.315CS..G310 helixtrans-77.5-19.8179.580.2-93.2000113.2V39 S43 N44 L45 F78 S138 L175 H179V39-F41 HydrophobicContact CG1-CD1 3.2Å; V39-F41 HydrophobicContact CG1-CE1 3.01Å; V39-F41 HydrophobicContact CG1-CG 4.1Å; V39-F41 HydrophobicContact CG1-CZ 3.81Å; V39-F41 PolarHBondContact O-N 3.47Å; F41-S43 VanDerWaalsContact C-N 3.27Å; F41-S43 PolarHBondContact O-N 2.86Å; F41-N44 PolarHBondContact O-N 3.49Å; F41-L45 HydrophobicContact CD2-CD1 4.14Å; F41-L45 HydrophobicContact CE2-CD1 4.1Å; F41-F78 HydrophobicContact CE1-CZ 4.43Å; F41-F78 HydrophobicContact CZ-CE1 4.13Å; F41-F78 HydrophobicContact CZ-CZ 4.09Å; F41-S138 WeakPolarHBondContact CE1-OG 3.38Å; F41-L175 HydrophobicContact CE2-CD1 4.13Å; F41-L175 HydrophobicContact CE2-CD2 3.84Å; F41-L175 HydrophobicContact CZ-CD1 4.29Å; F41-H179 AromaticContact CE2-NE2 3.9Å
42F79.3Confident83.3Confident1 Ų161.7 Ų61.70%0.00433%0.325CS..G310 helixtrans-71.1-19.8176.4-74.8-4.9000113.2F35 V36 V39 K40 N44 L45 V50 I53 I80F35-F42 HydrophobicContact CB-CD2 4.1Å; F35-F42 HydrophobicContact CB-CE2 4.3Å; F35-F42 HydrophobicContact CD1-CD2 4.39Å; F35-F42 AromaticContact CD1-CE2 3.85Å; F35-F42 HydrophobicContact CD1-CE2 3.85Å; F35-F42 HydrophobicContact CG-CE2 4.5Å; V36-F42 HydrophobicContact CG2-CB 4.47Å; V39-F42 HydrophobicContact CB-CB 4.26Å; V39-F42 HydrophobicContact CB-CD1 4.48Å; V39-F42 HydrophobicContact CB-CD2 3.67Å; V39-F42 HydrophobicContact CB-CE2 4.15Å; V39-F42 HydrophobicContact CB-CG 3.86Å; V39-F42 HydrophobicContact CG1-CB 4.34Å; V39-F42 HydrophobicContact CG1-CD1 3.83Å; V39-F42 HydrophobicContact CG1-CD2 3.85Å; V39-F42 HydrophobicContact CG1-CE1 4.15Å; V39-F42 HydrophobicContact CG1-CE2 4.13Å; V39-F42 HydrophobicContact CG1-CG 3.7Å; V39-F42 HydrophobicContact CG1-CZ 4.28Å; V39-F42 HydrophobicContact CG2-CD2 4.16Å; V39-F42 HydrophobicContact CG2-CE2 4.23Å; V39-F42 WeakPolarHBondContact O-CB 3.06Å; V39-F42 PolarHBondContact O-N 3.21Å; K40-F42 VanDerWaalsContact C-N 3.34Å; F42-N44 PolarHBondContact O-N 2.92Å; F42-L45 HydrophobicContact CD1-CD1 3.69Å; F42-L45 HydrophobicContact CE1-CD1 4.16Å; F42-L45 PolarHBondContact O-N 3.46Å; F42-V50 HydrophobicContact CB-CG2 4.17Å; F42-V50 HydrophobicContact CD2-CG1 3.98Å; F42-V50 HydrophobicContact CD2-CG2 4.48Å; F42-V50 HydrophobicContact CE2-CG1 4.3Å; F42-V50 HydrophobicContact CG-CG2 4.26Å; F42-I53 HydrophobicContact CE1-CD1 3.89Å; F42-I53 HydrophobicContact CZ-CD1 3.94Å; F42-I53 HydrophobicContact CZ-CG2 4.08Å; F42-I80 HydrophobicContact CE1-CD1 4.27Å; F42-I80 HydrophobicContact CE2-CD1 3.98Å; F42-I80 HydrophobicContact CZ-CD1 3.42Å; F42-I80 VanDerWaalsContact CZ-CD1 3.42Å
43S75.7Confident83.4Confident73 Ų7361.4 Ų61.451%0.5132%0.323SS..G310 helixtrans-63.1-22.8174.967.20000113.4K40 F41K40-S43 PolarHBondContact O-OG 3.45Å; F41-S43 VanDerWaalsContact C-N 3.27Å; F41-S43 PolarHBondContact O-N 2.86Å
44N76.8Confident83.6Confident140 Ų14057.4 Ų57.475%0.74930%0.297SS*.G310 helixtrans-96.8-0.5-178.2-61.1-13.7000112.6F41 F42F41-N44 PolarHBondContact O-N 3.49Å; F42-N44 PolarHBondContact O-N 2.92Å
45L81.9Confident83.9Confident30 Ų3060.8 Ų60.816%0.15731%0.312CS..SBendtrans-101.2153.1-179.2-61.4178.5000111F41 F42 V50 L175 V178F41-L45 HydrophobicContact CD2-CD1 4.14Å; F41-L45 HydrophobicContact CE2-CD1 4.1Å; F42-L45 HydrophobicContact CD1-CD1 3.69Å; F42-L45 HydrophobicContact CE1-CD1 4.16Å; F42-L45 PolarHBondContact O-N 3.46Å; L45-V50 HydrophobicContact CB-CG2 4.25Å; L45-L175 HydrophobicContact CD1-CD2 3.35Å; L45-V178 HydrophobicContact CD2-CG2 4.19Å
46N85.4Confident84.3Confident124 Ų12462.8 Ų62.866%0.66332%0.323SS*.  trans-62.6140.6172.5-69.7-20.2000110.5D48 V49 V50N46-D48 PolarHBondContact O-N 2.64Å; N46-D48 VanDerWaalsContact O-N 3.17Å; N46-V49 HydrophobicContact CB-CG2 4.09Å; N46-V49 WeakPolarHBondContact O-CB 3.46Å; N46-V49 PolarHBondContact O-N 3.2Å; N46-V50 PolarHBondContact O-N 3.18Å
47S84.7Confident84.6Confident64 Ų6460.5 Ų60.545%0.44831%0.309SS..Hα-helixtrans-53.7-38.8-179.1-172.50000112.5V49 V50 K51S47-V49 VanDerWaalsContact C-N 3.29Å; S47-V49 PolarHBondContact O-N 3.16Å; S47-V50 PolarHBondContact O-N 3.43Å; S47-V50 VanDerWaalsContact O-N 3.16Å; S47-K51 WeakPolarHBondContact O-CG 3.39Å; S47-K51 PolarHBondContact O-N 3.39Å
48D86.9Confident85Confident120 Ų12060.6 Ų60.664%0.64231%0.31SS*.Hα-helixtrans-62.5-34.7178.5-60-37.5000113.1N46 K51 D52N46-D48 PolarHBondContact O-N 2.64Å; N46-D48 VanDerWaalsContact O-N 3.17Å; D48-K51 PolarHBondContact O-N 3.25Å; D48-D52 WeakPolarHBondContact O-CB 3.43Å; D48-D52 PolarHBondContact O-N 2.94Å
49V87.6Confident85.7Confident36 Ų3658.2 Ų58.222%0.21830%0.299CS..Hα-helixtrans-67.9-42177.2-1790000109.9N46 S47 D52 I53 S174N46-V49 HydrophobicContact CB-CG2 4.09Å; N46-V49 WeakPolarHBondContact O-CB 3.46Å; N46-V49 PolarHBondContact O-N 3.2Å; S47-V49 VanDerWaalsContact C-N 3.29Å; S47-V49 PolarHBondContact O-N 3.16Å; V49-D52 PolarHBondContact O-N 3Å; V49-I53 HydrophobicContact CG1-CD1 4.2Å; V49-I53 VanDerWaalsContact O-CG1 3.28Å; V49-I53 WeakPolarHBondContact O-CG1 3.4Å; V49-I53 PolarHBondContact O-N 2.83Å; V49-S174 WeakPolarHBondContact CG1-O 3.38Å
50V89.2Confident86.3Confident0 Ų059.2 Ų59.20%031%0.307CS..Hα-helixtrans-65.1-44.2176.7-176.70000110.5F35 V36 F42 L45 N46 S47 D52 I53 I54F35-V50 HydrophobicContact CB-CG1 4.36Å; V36-V50 HydrophobicContact CG2-CG1 4.17Å; V36-V50 HydrophobicContact CG2-CG2 4.41Å; F42-V50 HydrophobicContact CB-CG2 4.17Å; F42-V50 HydrophobicContact CD2-CG1 3.98Å; F42-V50 HydrophobicContact CD2-CG2 4.48Å; F42-V50 HydrophobicContact CE2-CG1 4.3Å; F42-V50 HydrophobicContact CG-CG2 4.26Å; L45-V50 HydrophobicContact CB-CG2 4.25Å; N46-V50 PolarHBondContact O-N 3.18Å; S47-V50 PolarHBondContact O-N 3.43Å; S47-V50 VanDerWaalsContact O-N 3.16Å; V50-D52 VanDerWaalsContact C-N 3.34Å; V50-D52 PolarHBondContact O-N 2.93Å; V50-I53 WeakPolarHBondContact O-CB 3.36Å; V50-I53 PolarHBondContact O-N 3.13Å; V50-I54 HydrophobicContact CG1-CD1 3.87Å; V50-I54 HydrophobicContact CG1-CG1 4.42Å; V50-I54 VanDerWaalsContact O-CG1 3.29Å; V50-I54 WeakPolarHBondContact O-CG1 3.29Å; V50-I54 PolarHBondContact O-N 2.89Å
51K89.6Confident87.3Confident54 Ų5454.4 Ų54.424%0.23529%0.287CS..Hα-helixtrans-60-42175.6-68.8179.7-174-174.10112.1I28 E29 S47 D48 I54 K55I28-K51 HydrophobicContact CG2-CB 4.04Å; I28-K51 HydrophobicContact CG2-CG 4.11Å; E29-K51 IonicContact OE1-NZ 2.96Å; E29-K51 PolarHBondContact OE1-NZ 2.88Å; S47-K51 WeakPolarHBondContact O-CG 3.39Å; S47-K51 PolarHBondContact O-N 3.39Å; D48-K51 PolarHBondContact O-N 3.25Å; K51-I54 PolarHBondContact O-N 3.37Å; K51-K55 WeakPolarHBondContact O-CB 3.45Å; K51-K55 PolarHBondContact O-N 3.43Å
52D89.5Confident88.2Confident42 Ų4254.9 Ų54.923%0.22529%0.287CS..Hα-helixtrans-63.9-39.6176179.656.4000112.4D48 V49 V50 K55 N56 R173 S174D48-D52 WeakPolarHBondContact O-CB 3.43Å; D48-D52 PolarHBondContact O-N 2.94Å; V49-D52 PolarHBondContact O-N 3Å; V50-D52 VanDerWaalsContact C-N 3.34Å; V50-D52 PolarHBondContact O-N 2.93Å; D52-K55 PolarHBondContact O-N 3.43Å; D52-N56 PolarHBondContact O-N 2.81Å; D52-N56 PolarHBondContact O-ND2 3.33Å; D52-N56 PolarHBondContact OD1-ND2 3.14Å; D52-R173 VanDerWaalsContact CG-NH2 3.33Å; D52-R173 IonicContact OD1-CZ 3.09Å; D52-R173 IonicContact OD1-NE 2.77Å; D52-R173 IonicContact OD1-NH2 3.95Å; D52-R173 PolarHBondContact OD1-NH2 2.82Å; D52-R173 IonicContact OD2-CZ 2.75Å; D52-R173 VanDerWaalsContact OD2-CZ 3.24Å; D52-R173 IonicContact OD2-NE 3.86Å; D52-R173 PolarHBondContact OD2-NE 2.96Å; D52-R173 IonicContact OD2-NH2 2.63Å; D52-R173 PolarHBondContact OD2-NH2 3.12Å; D52-S174 PolarHBondContact OD2-OG 2.9Å; D52-S174 VanDerWaalsContact OD2-OG 3.13Å
53I90.1Very high88.9Confident1 Ų159.1 Ų59.11%0.00531%0.307CS..Hα-helixtrans-62.7-48.8174.1-68.6163.8000110.4F42 V49 V50 K55 N56 C57 I166 T170 L175F42-I53 HydrophobicContact CE1-CD1 3.89Å; F42-I53 HydrophobicContact CZ-CD1 3.94Å; F42-I53 HydrophobicContact CZ-CG2 4.08Å; V49-I53 HydrophobicContact CG1-CD1 4.2Å; V49-I53 VanDerWaalsContact O-CG1 3.28Å; V49-I53 WeakPolarHBondContact O-CG1 3.4Å; V49-I53 PolarHBondContact O-N 2.83Å; V50-I53 WeakPolarHBondContact O-CB 3.36Å; V50-I53 PolarHBondContact O-N 3.13Å; I53-K55 VanDerWaalsContact C-N 3.28Å; I53-K55 PolarHBondContact O-N 2.75Å; I53-N56 PolarHBondContact O-N 2.86Å; I53-C57 VanDerWaalsContact O-CB 3.28Å; I53-C57 WeakPolarHBondContact O-CB 3.38Å; I53-C57 PolarHBondContact O-N 3.48Å; I53-I166 HydrophobicContact CG2-CD1 3.46Å; I53-I166 VanDerWaalsContact CG2-CD1 3.46Å; I53-I166 HydrophobicContact CG2-CG1 3.95Å; I53-T170 HydrophobicContact CG1-CG2 4.35Å; I53-L175 HydrophobicContact CD1-CD1 4Å; I53-L175 HydrophobicContact CD1-CD2 3.87Å; I53-L175 HydrophobicContact CD1-CG 3.93Å
54I90Very high89.8Confident0 Ų058.3 Ų58.30%030%0.299CS..Hα-helixtrans-61.1-39.5179.7-67.4168000110.8R23 I28 I31 C32 F35 V50 K51 N56 C57R23-I54 PolarHBondContact NH1-O 2.76Å; I28-I54 HydrophobicContact CB-CG2 4.4Å; I28-I54 HydrophobicContact CG1-CG2 4.18Å; I28-I54 HydrophobicContact CG2-CB 4.1Å; I28-I54 HydrophobicContact CG2-CG2 3.88Å; I31-I54 HydrophobicContact CD1-CG2 3.48Å; I31-I54 VanDerWaalsContact CD1-CG2 3.48Å; I31-I54 HydrophobicContact CG1-CD1 4.49Å; I31-I54 HydrophobicContact CG1-CG2 3.91Å; C32-I54 HydrophobicContact CB-CD1 3.92Å; F35-I54 HydrophobicContact CB-CD1 4.06Å; F35-I54 HydrophobicContact CD2-CD1 3.63Å; F35-I54 HydrophobicContact CD2-CG1 3.76Å; F35-I54 HydrophobicContact CE2-CD1 4.26Å; F35-I54 HydrophobicContact CE2-CG1 3.96Å; F35-I54 HydrophobicContact CG-CD1 3.94Å; F35-I54 HydrophobicContact CG-CG1 4.04Å; F35-I54 HydrophobicContact CZ-CG1 4.39Å; V50-I54 HydrophobicContact CG1-CD1 3.87Å; V50-I54 HydrophobicContact CG1-CG1 4.42Å; V50-I54 VanDerWaalsContact O-CG1 3.29Å; V50-I54 WeakPolarHBondContact O-CG1 3.29Å; V50-I54 PolarHBondContact O-N 2.89Å; K51-I54 PolarHBondContact O-N 3.37Å; I54-N56 VanDerWaalsContact C-N 3.34Å; I54-N56 PolarHBondContact O-N 3.46Å; I54-C57 PolarHBondContact O-SG 2.87Å
55K90.8Very high90.6Very high98 Ų9854.2 Ų54.243%0.42628%0.277SS..Hα-helixtrans-61.9-39.6178-173.2174.5-179.5176.70112.9P20 R23 I28 K51 D52 I53P20-K55 WeakPolarHBondContact CB-O 3.38Å; R23-K55 PolarHBondContact NH1-O 2.79Å; I28-K55 HydrophobicContact CD1-CB 3.86Å; I28-K55 HydrophobicContact CD1-CG 4.06Å; K51-K55 WeakPolarHBondContact O-CB 3.45Å; K51-K55 PolarHBondContact O-N 3.43Å; D52-K55 PolarHBondContact O-N 3.43Å; I53-K55 VanDerWaalsContact C-N 3.28Å; I53-K55 PolarHBondContact O-N 2.75Å
56N91.4Very high91.2Very high44 Ų4454 Ų5424%0.23528%0.276CS..Hα-helixtrans-107.2-3-168.9-63.5-77.6000115D52 I53 I54 T170 R173D52-N56 PolarHBondContact O-N 2.81Å; D52-N56 PolarHBondContact O-ND2 3.33Å; D52-N56 PolarHBondContact OD1-ND2 3.14Å; I53-N56 PolarHBondContact O-N 2.86Å; I54-N56 VanDerWaalsContact C-N 3.34Å; I54-N56 PolarHBondContact O-N 3.46Å; N56-T170 HydrophobicContact CB-CG2 4.11Å; N56-T170 WeakPolarHBondContact CB-OG1 3.29Å; N56-R173 PolarHBondContact ND2-NH2 3.42Å
57C91.8Very high91.6Very high2 Ų248.9 Ų48.91%0.01425%0.249CC..  trans-73.3152.6176.567.20000112.2R23 I53 I54 A164 V165 I166R23-C57 PolarHBondContact NH1-O 2.89Å; R23-C57 PolarHBondContact NH2-O 2.7Å; I53-C57 VanDerWaalsContact O-CB 3.28Å; I53-C57 WeakPolarHBondContact O-CB 3.38Å; I53-C57 PolarHBondContact O-N 3.48Å; I54-C57 PolarHBondContact O-SG 2.87Å; C57-A164 HydrophobicContact CB-CB 4.33Å; C57-V165 CarbonylContact C-O 3.51Å; C57-V165 VanDerWaalsContact CA-O 3.29Å; C57-V165 WeakPolarHBondContact CA-O 3.3Å; C57-I166 HydrophobicContact CB-CG1 4.02Å
58E93.5Very high92Very high133 Ų13346.5 Ų46.562%0.62123%0.231SC*.EExtended strand (participates in β ladder)trans-112.9143.1177.6-177.1-179.7170.400110.6A164 V165E58-A164 CarbonylContact O-C 3.56Å; E58-A164 WeakPolarHBondContact O-CA 3.46Å; E58-V165 HydrophobicContact CB-CB 4.34Å; E58-V165 PolarHBondContact N-O 2.86Å; E58-V165 PolarHBondContact O-N 3.06Å
59F93.9Very high92.4Very high25 Ų2541.1 Ų41.111%0.1120%0.202CC..EExtended strand (participates in β ladder)trans-81.9128.3175.6-178.5-97000110.8V13 I16 K17 E61 L82 H162V13-F59 HydrophobicContact CB-CE2 4.39Å; V13-F59 HydrophobicContact CG1-CD2 4.23Å; V13-F59 HydrophobicContact CG1-CE1 4.43Å; V13-F59 HydrophobicContact CG1-CE2 3.71Å; V13-F59 HydrophobicContact CG1-CZ 3.82Å; V13-F59 HydrophobicContact CG2-CE2 4.05Å; I16-F59 HydrophobicContact CB-CB 4.35Å; I16-F59 HydrophobicContact CG2-CB 3.84Å; K17-F59 HydrophobicContact CD-CD1 4.25Å; K17-F59 HydrophobicContact CD-CE1 4.46Å; K17-F59 VanDerWaalsContact CE-CD1 3.41Å; K17-F59 HydrophobicContact CG-CB 3.96Å; K17-F59 HydrophobicContact CG-CD1 3.74Å; K17-F59 HydrophobicContact CG-CE1 4.42Å; K17-F59 HydrophobicContact CG-CG 3.87Å; F59-E61 HydrophobicContact CE1-CB 3.89Å; F59-E61 HydrophobicContact CZ-CB 4.35Å; F59-L82 HydrophobicContact CD2-CD1 4.1Å; F59-L82 HydrophobicContact CE2-CD1 4.29Å; F59-H162 HydrophobicContact CE2-CB 3.75Å; F59-H162 AromaticContact CE2-CG 3.88Å; F59-H162 HydrophobicContact CZ-CB 3.96Å; F59-H162 AromaticContact CZ-CD2 3.87Å; F59-H162 AromaticContact CZ-CG 3.64Å; F59-H162 AromaticContact CZ-ND1 3.9Å
60S94.5Very high92.6Very high23 Ų2342.5 Ų42.516%0.16120%0.203CC..EExtended strand (participates in β ladder)trans-127.9130.3173-175.20000110.8R62 L163 V165S60-R62 PolarHBondContact OG-NE 2.92Å; S60-L163 PolarHBondContact N-O 3.05Å; S60-L163 PolarHBondContact O-N 2.88Å; S60-V165 VanDerWaalsContact CB-CG2 3.5Å
61E94.7Very high92.7Very high81 Ų8143.4 Ų43.438%0.37921%0.208SC..EExtended strand (participates in β ladder)trans-108.1134.2177.1-177.6170.6176.400109.5F59 K160 H162F59-E61 HydrophobicContact CE1-CB 3.89Å; F59-E61 HydrophobicContact CZ-CB 4.35Å; E61-K160 WeakPolarHBondContact OE1-CE 3.31Å; E61-K160 IonicContact OE1-NZ 2.61Å; E61-K160 PolarHBondContact OE1-NZ 3.33Å; E61-H162 IonicContact OE1-NE2 3.38Å
62R95.1Very high92.8Very high61 Ų6144.9 Ų44.923%0.2321%0.214CC..EExtended strand (participates in β ladder)trans-129.3135.3-176.3-60.8-65.9178.4164.94.1109.7S60 D66 I68 A157 K160 T161 L163S60-R62 PolarHBondContact OG-NE 2.92Å; R62-D66 HydrophobicContact CB-CB 4.37Å; R62-I68 HydrophobicContact CG-CD1 4.48Å; R62-I68 HydrophobicContact CG-CG1 4.08Å; R62-A157 HydrophobicContact CB-CB 4.31Å; R62-K160 CarbonylContact O-C 3.56Å; R62-K160 WeakPolarHBondContact O-CA 3.11Å; R62-T161 PolarHBondContact N-O 2.87Å; R62-T161 PolarHBondContact O-N 3.47Å; R62-L163 HydrophobicContact CG-CD1 3.95Å
63E95Very high92.9Very high90 Ų9046.9 Ų46.942%0.42122%0.222SC..  trans-85.5168.1177.3-73-62.5152.700110.9D65 D66 A157E63-D65 PolarHBondContact O-N 3.49Å; E63-D66 PolarHBondContact N-OD2 3.44Å; E63-D66 VanDerWaalsContact O-CB 3.29Å; E63-D66 WeakPolarHBondContact O-CB 3.22Å; E63-D66 PolarHBondContact O-N 2.98Å; E63-D66 VanDerWaalsContact O-N 3.14Å; E63-A157 WeakPolarHBondContact O-CB 3.34Å
64T94.1Very high92.9Very high57 Ų5754.1 Ų54.135%0.3526%0.256SS..THydrogen-bonded Turntrans-59137.9177.3-53.50000110.9D66 D158 C159 K160T64-D66 PolarHBondContact O-N 3.49Å; T64-D158 WeakPolarHBondContact CG2-O 3.5Å; T64-C159 WeakPolarHBondContact OG1-CA 3.31Å; T64-K160 PolarHBondContact OG1-N 2.54Å
65D92.7Very high92.8Very high54 Ų5454.1 Ų54.129%0.28926%0.256SS..THydrogen-bonded Turntrans67.46.5-175.5-59.2-46.7000115.5E63 I67 K119 A120 R123 A157E63-D65 PolarHBondContact O-N 3.49Å; D65-I67 PolarHBondContact O-N 2.98Å; D65-K119 CarbonylContact O-C 3.48Å; D65-K119 WeakPolarHBondContact O-CA 3.29Å; D65-A120 PolarHBondContact O-N 2.99Å; D65-R123 IonicContact OD1-CZ 2.75Å; D65-R123 IonicContact OD1-NE 3.7Å; D65-R123 PolarHBondContact OD1-NE 2.72Å; D65-R123 IonicContact OD1-NH2 3.58Å; D65-R123 PolarHBondContact OD1-NH2 3.49Å; D65-A157 WeakPolarHBondContact CA-O 3.42Å; D65-A157 PolarHBondContact N-O 3.2Å
66D94.7Very high92.7Very high24 Ų2453.9 Ų53.913%0.12826%0.259CS..BIsolated β-bridgetrans-67.6134.6172.9-77.9-10.5000111R62 E63 T64 R118 I156 A157R62-D66 HydrophobicContact CB-CB 4.37Å; E63-D66 PolarHBondContact N-OD2 3.44Å; E63-D66 VanDerWaalsContact O-CB 3.29Å; E63-D66 WeakPolarHBondContact O-CB 3.22Å; E63-D66 PolarHBondContact O-N 2.98Å; E63-D66 VanDerWaalsContact O-N 3.14Å; T64-D66 PolarHBondContact O-N 3.49Å; D66-R118 CarbonylContact C-O 3.53Å; D66-R118 WeakPolarHBondContact CA-O 3.39Å; D66-I156 WeakPolarHBondContact O-CA 3.32Å; D66-A157 PolarHBondContact O-N 2.82Å
67I93.4Very high92.7Very high17 Ų1752.7 Ų52.79%0.08725%0.254CS..EExtended strand (participates in β ladder)trans-87.2113.3173.8-59.3165.8000108.1D65 I69 R70 R118 A120 T154 I156D65-I67 PolarHBondContact O-N 2.98Å; I67-I69 VanDerWaalsContact CG2-O 3.31Å; I67-I69 WeakPolarHBondContact CG2-O 3.21Å; I67-R70 HydrophobicContact CG2-CG 3.39Å; I67-R118 PolarHBondContact N-O 3.32Å; I67-A120 HydrophobicContact CD1-CB 3.86Å; I67-A120 HydrophobicContact CG1-CB 3.77Å; I67-T154 HydrophobicContact CG2-CG2 3.9Å; I67-I156 HydrophobicContact CG1-CG1 4.3Å
68I94.2Very high92.8Very high14 Ų1452.6 Ų52.67%0.07225%0.254CS..EExtended strand (participates in β ladder)trans-84.3-40.7-177.1-55.6165.3000110.1R62 Y79 V86 F139 V155 A157 L163R62-I68 HydrophobicContact CG-CD1 4.48Å; R62-I68 HydrophobicContact CG-CG1 4.08Å; I68-Y79 HydrophobicContact CG2-CD1 4.32Å; I68-Y79 HydrophobicContact CG2-CE1 4.07Å; I68-Y79 HydrophobicContact CG2-CE2 4.49Å; I68-V86 HydrophobicContact CD1-CG1 3.69Å; I68-F139 HydrophobicContact CD1-CZ 4.21Å; I68-F139 HydrophobicContact CG2-CE2 4.13Å; I68-F139 HydrophobicContact CG2-CZ 4.17Å; I68-V155 HydrophobicContact CD1-CG1 4.24Å; I68-V155 PolarHBondContact N-O 3.38Å; I68-A157 HydrophobicContact CD1-CB 4.19Å; I68-L163 HydrophobicContact CD1-CD1 3.89Å; I68-L163 HydrophobicContact CG1-CD1 4.33Å; I68-L163 HydrophobicContact CG2-CD1 3.83Å
69I94.2Very high92.8Very high8 Ų847.3 Ų47.34%0.04123%0.228CC..EExtended strand (participates in β ladder)trans-136.4137178.7-64.3179.6000106.9I67 Y79 F139 R151 A153 T154 V155I67-I69 VanDerWaalsContact CG2-O 3.31Å; I67-I69 WeakPolarHBondContact CG2-O 3.21Å; I69-Y79 HydrophobicContact CD1-CD2 3.9Å; I69-Y79 HydrophobicContact CD1-CE2 3.74Å; I69-Y79 HydrophobicContact CG1-CD2 4.44Å; I69-Y79 HydrophobicContact CG1-CE2 3.9Å; I69-F139 HydrophobicContact CD1-CD2 3.68Å; I69-F139 HydrophobicContact CD1-CE2 3.7Å; I69-F139 HydrophobicContact CG1-CE2 4.3Å; I69-R151 HydrophobicContact CG2-CB 3.66Å; I69-R151 VanDerWaalsContact CG2-CD 3.44Å; I69-R151 HydrophobicContact CG2-CG 3.5Å; I69-A153 VanDerWaalsContact CG2-O 3.29Å; I69-A153 WeakPolarHBondContact CG2-O 3.21Å; I69-T154 CarbonylContact O-C 3.6Å; I69-T154 WeakPolarHBondContact O-CA 3.31Å; I69-T154 WeakPolarHBondContact O-CG2 3.48Å; I69-V155 HydrophobicContact CB-CB 4.12Å; I69-V155 HydrophobicContact CB-CG2 4.07Å; I69-V155 HydrophobicContact CD1-CG2 4.14Å; I69-V155 HydrophobicContact CG1-CG2 4.45Å; I69-V155 PolarHBondContact N-O 3.14Å; I69-V155 PolarHBondContact O-N 2.88Å
70R92.5Very high92.8Very high64 Ų6446.2 Ų46.224%0.24222%0.223CC..  trans-105.5141.5165.3-62.3165.2165.6-82.79.4110.5I67 F72 E73 V116 E117 R151 A153I67-R70 HydrophobicContact CG2-CG 3.39Å; R70-F72 PolarHBondContact O-N 2.97Å; R70-E73 VanDerWaalsContact CB-CD 3.47Å; R70-E73 HydrophobicContact CB-CG 3.87Å; R70-E73 WeakPolarHBondContact CB-OE2 3.31Å; R70-E73 WeakPolarHBondContact CD-OE1 3.4Å; R70-E73 PolarHBondContact N-OE2 3.27Å; R70-E73 WeakPolarHBondContact O-CB 3.5Å; R70-E73 PolarHBondContact O-N 3.11Å; R70-V116 VanDerWaalsContact NE-CG1 3.26Å; R70-E117 PolarHBondContact NH2-O 2.85Å; R70-R151 VanDerWaalsContact O-CB 3.3Å; R70-R151 WeakPolarHBondContact O-CB 3.29Å; R70-A153 CarbonylContact C-O 3.54Å
71Q92Very high92.8Very high20 Ų2045.2 Ų45.29%0.09322%0.216CC..THydrogen-bonded Turntrans-57.1138.6172.1-170.3176.61.400109.6E73 N91 R151 N152 A153 T154Q71-E73 VanDerWaalsContact C-N 3.27Å; Q71-E73 PolarHBondContact O-N 3.09Å; Q71-N91 PolarHBondContact NE2-O 3.49Å; Q71-N91 VanDerWaalsContact NE2-O 3.16Å; Q71-R151 CarbonylContact C-O 3.5Å; Q71-N152 PolarHBondContact NE2-O 2.83Å; Q71-A153 PolarHBondContact N-O 3.26Å; Q71-T154 WeakPolarHBondContact CB-OG1 3.3Å; Q71-T154 PolarHBondContact N-OG1 2.94Å
72F90.2Very high92.7Very high85 Ų8541.4 Ų41.437%0.37320%0.199SC..THydrogen-bonded Turntrans71.61.2-176.7-48-62.3000117.1R70 L94 V95 I150 R151R70-F72 PolarHBondContact O-N 2.97Å; F72-L94 HydrophobicContact CE2-CB 3.53Å; F72-L94 HydrophobicContact CE2-CD1 4.12Å; F72-L94 HydrophobicContact CE2-CG 4.49Å; F72-L94 HydrophobicContact CZ-CB 3.6Å; F72-L94 WeakPolarHBondContact CZ-O 3.47Å; F72-V95 HydrophobicContact CE1-CG2 4.29Å; F72-V95 HydrophobicContact CZ-CG2 4.1Å; F72-I150 HydrophobicContact CB-CG2 4.44Å; F72-I150 HydrophobicContact CD1-CG2 4.2Å; F72-R151 PolarHBondContact N-O 2.99Å
73E91.7Very high92.5Very high83 Ų8339.9 Ų39.939%0.38820%0.197SC..SBendtrans-74.3159.1167.9-73.1-177165.600111.6R70 Q71 R151R70-E73 VanDerWaalsContact CB-CD 3.47Å; R70-E73 HydrophobicContact CB-CG 3.87Å; R70-E73 WeakPolarHBondContact CB-OE2 3.31Å; R70-E73 WeakPolarHBondContact CD-OE1 3.4Å; R70-E73 PolarHBondContact N-OE2 3.27Å; R70-E73 WeakPolarHBondContact O-CB 3.5Å; R70-E73 PolarHBondContact O-N 3.11Å; Q71-E73 VanDerWaalsContact C-N 3.27Å; Q71-E73 PolarHBondContact O-N 3.09Å; E73-R151 WeakPolarHBondContact O-CB 3.33Å; E73-R151 WeakPolarHBondContact O-CG 3.35Å; E73-R151 PolarHBondContact O-N 3.38Å
74E90.7Very high92.5Very high154 Ų15436.5 Ų36.572%0.7219%0.187SC*.BIsolated β-bridgetrans-71.3139.1169.7-166.2178.8171.800110.2C149E74-C149 CarbonylContact C-O 3.48Å; E74-C149 WeakPolarHBondContact CA-O 3.5Å; E74-C149 HydrophobicContact CG-CB 4.1Å
75G87.3Confident92.6Very high0 Ų037.3 Ų37.30%019%0.186CC..  trans-124113.8-176.100000111.7L144 C149 R151G75-L144 WeakPolarHBondContact O-CD2 3.48Å; G75-C149 PolarHBondContact N-O 3.36Å; G75-R151 VanDerWaalsContact CA-CZ 3.42Å
76D89.2Confident92.7Very high93 Ų9334.7 Ų34.750%0.49717%0.172SC..  trans-113.8-1.5-179.767-19.8000113.3R168D76-R168 WeakPolarHBondContact O-CA 3.4Å; D76-R168 VanDerWaalsContact O-CB 3.25Å; D76-R168 WeakPolarHBondContact O-CB 3.18Å; D76-R168 PolarHBondContact O-N 2.78Å
77C90.9Very high92.7Very high19 Ų1934 Ų3413%0.12817%0.17CC..EExtended strand (participates in β ladder)trans-130.7155.8-177.1-62.40000113.1Y79 R151 V165 I166C77-Y79 HydrophobicContact CB-CE2 4.34Å; C77-R151 PolarHBondContact O-NH1 3.35Å; C77-R151 PolarHBondContact O-NH2 2.81Å; C77-V165 HydrophobicContact CB-CG1 3.63Å; C77-I166 CarbonylContact C-O 3.47Å; C77-I166 WeakPolarHBondContact CA-O 3.27Å
78F93.7Very high92.7Very high0 Ų034 Ų340%017%0.169CC..EExtended strand (participates in β ladder)trans-115.7145.7171.4170.3-115.4000109.3F41 I80 S138 F139 E141 L144 V165 I166 Y171 L175F41-F78 HydrophobicContact CE1-CZ 4.43Å; F41-F78 HydrophobicContact CZ-CE1 4.13Å; F41-F78 HydrophobicContact CZ-CZ 4.09Å; F78-I80 HydrophobicContact CD1-CG1 4.5Å; F78-I80 HydrophobicContact CE1-CD1 4.24Å; F78-I80 HydrophobicContact CE1-CG1 3.88Å; F78-I80 HydrophobicContact CZ-CG1 4.43Å; F78-S138 WeakPolarHBondContact CZ-OG 3.2Å; F78-F139 WeakPolarHBondContact CD2-O 3.28Å; F78-E141 HydrophobicContact CD2-CB 3.88Å; F78-E141 HydrophobicContact CE2-CB 3.82Å; F78-L144 HydrophobicContact CB-CD1 3.77Å; F78-V165 CarbonylContact O-C 3.56Å; F78-I166 HydrophobicContact CB-CB 4.34Å; F78-I166 HydrophobicContact CD1-CB 4.21Å; F78-I166 HydrophobicContact CD1-CD1 3.61Å; F78-I166 HydrophobicContact CD1-CG1 4.44Å; F78-I166 HydrophobicContact CE1-CD1 3.98Å; F78-I166 PolarHBondContact N-O 3.34Å; F78-I166 PolarHBondContact O-N 3.35Å; F78-Y171 HydrophobicContact CB-CD2 3.76Å; F78-Y171 HydrophobicContact CB-CE2 4.29Å; F78-Y171 HydrophobicContact CB-CG 4.47Å; F78-Y171 AromaticContact CD1-CD2 3.95Å; F78-Y171 HydrophobicContact CD1-CD2 3.95Å; F78-Y171 HydrophobicContact CD1-CE2 4.29Å; F78-Y171 HydrophobicContact CD2-CE2 4.31Å; F78-Y171 AromaticContact CG-CD2 3.86Å; F78-Y171 HydrophobicContact CG-CD2 3.86Å; F78-Y171 HydrophobicContact CG-CE2 4.06Å; F78-L175 HydrophobicContact CD1-CD1 4.1Å; F78-L175 HydrophobicContact CE1-CD1 3.77Å
79Y94.7Very high92.7Very high22 Ų2234.3 Ų34.39%0.08617%0.17CC..EExtended strand (participates in β ladder)trans-121.7138.8-172.2-60.5-89.8000111.3I68 I69 C77 S138 F139 L163 A164 V165I68-Y79 HydrophobicContact CG2-CD1 4.32Å; I68-Y79 HydrophobicContact CG2-CE1 4.07Å; I68-Y79 HydrophobicContact CG2-CE2 4.49Å; I69-Y79 HydrophobicContact CD1-CD2 3.9Å; I69-Y79 HydrophobicContact CD1-CE2 3.74Å; I69-Y79 HydrophobicContact CG1-CD2 4.44Å; I69-Y79 HydrophobicContact CG1-CE2 3.9Å; C77-Y79 HydrophobicContact CB-CE2 4.34Å; Y79-S138 CarbonylContact O-C 3.6Å; Y79-S138 WeakPolarHBondContact O-CA 3.46Å; Y79-S138 VanDerWaalsContact O-CB 3.31Å; Y79-S138 WeakPolarHBondContact O-CB 3.3Å; Y79-F139 HydrophobicContact CD2-CD2 4.05Å; Y79-F139 AromaticContact CD2-CE2 3.61Å; Y79-F139 HydrophobicContact CD2-CE2 3.61Å; Y79-F139 HydrophobicContact CD2-CZ 4.32Å; Y79-F139 HydrophobicContact CE2-CE2 4.45Å; Y79-F139 HydrophobicContact CG-CD2 4.38Å; Y79-F139 AromaticContact CG-CE2 3.72Å; Y79-F139 HydrophobicContact CG-CE2 3.72Å; Y79-F139 AromaticContact CG-CZ 3.95Å; Y79-F139 HydrophobicContact CG-CZ 3.95Å; Y79-F139 PolarHBondContact N-O 3.09Å; Y79-F139 PolarHBondContact O-N 3.18Å; Y79-L163 HydrophobicContact CD1-CB 4.41Å; Y79-L163 HydrophobicContact CD1-CD1 3.96Å; Y79-L163 HydrophobicContact CE1-CD1 4.49Å; Y79-A164 WeakPolarHBondContact CA-O 3.29Å; Y79-V165 HydrophobicContact CD1-CB 4.42Å; Y79-V165 HydrophobicContact CD1-CG1 4.3Å; Y79-V165 HydrophobicContact CD1-CG2 3.82Å; Y79-V165 HydrophobicContact CE1-CB 4.35Å; Y79-V165 HydrophobicContact CE1-CG1 3.89Å; Y79-V165 HydrophobicContact CE1-CG2 3.71Å
80I93.4Very high92.5Very high1 Ų134.5 Ų34.51%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-118.8131.6169.4-59.5176.9000108.3V39 F42 F78 L82 L163 A164 I166V39-I80 HydrophobicContact CG2-CG2 3.67Å; F42-I80 HydrophobicContact CE1-CD1 4.27Å; F42-I80 HydrophobicContact CE2-CD1 3.98Å; F42-I80 HydrophobicContact CZ-CD1 3.42Å; F42-I80 VanDerWaalsContact CZ-CD1 3.42Å; F78-I80 HydrophobicContact CD1-CG1 4.5Å; F78-I80 HydrophobicContact CE1-CD1 4.24Å; F78-I80 HydrophobicContact CE1-CG1 3.88Å; F78-I80 HydrophobicContact CZ-CG1 4.43Å; I80-L82 PolarHBondContact O-N 3.47Å; I80-L163 CarbonylContact O-C 3.55Å; I80-L163 VanDerWaalsContact O-CA 3.29Å; I80-L163 WeakPolarHBondContact O-CA 3.2Å; I80-A164 HydrophobicContact CB-CB 4.3Å; I80-A164 PolarHBondContact N-O 3.28Å; I80-A164 PolarHBondContact O-N 3.47Å; I80-I166 HydrophobicContact CD1-CD1 3.51Å; I80-I166 HydrophobicContact CG1-CD1 4Å
81I94.2Very high92.4Very high2 Ų233.3 Ų33.31%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-83.1108.2180-54.9171.6000109.1V86 F133 G136 A137 F139 T161 L163I81-V86 HydrophobicContact CD1-CG1 4.26Å; I81-V86 HydrophobicContact CD1-CG2 3.56Å; I81-F133 HydrophobicContact CD1-CB 3.65Å; I81-G136 PolarHBondContact O-N 2.76Å; I81-A137 WeakPolarHBondContact CB-O 3.44Å; I81-A137 HydrophobicContact CD1-CB 4.36Å; I81-A137 PolarHBondContact N-O 3.44Å; I81-F139 HydrophobicContact CD1-CD1 4.1Å; I81-F139 HydrophobicContact CD1-CE1 3.9Å; I81-F139 HydrophobicContact CG1-CD1 4.15Å; I81-F139 HydrophobicContact CG1-CE1 3.69Å; I81-T161 HydrophobicContact CG2-CG2 4.14Å; I81-L163 HydrophobicContact CB-CD2 4.38Å; I81-L163 HydrophobicContact CG1-CD2 3.89Å
82L92.3Very high92.1Very high2 Ų232.7 Ų32.71%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-80.3-37.4176.5-58.5178.1000111.6Y9 I16 W34 F35 F59 I80 T135 H162 A164Y9-L82 HydrophobicContact CE2-CB 4.32Å; I16-L82 HydrophobicContact CD1-CD1 3.88Å; W34-L82 HydrophobicContact CH2-CD2 4.27Å; W34-L82 HydrophobicContact CZ3-CD2 4Å; F35-L82 HydrophobicContact CE1-CD2 3.84Å; F35-L82 HydrophobicContact CZ-CD2 3.91Å; F59-L82 HydrophobicContact CD2-CD1 4.1Å; F59-L82 HydrophobicContact CE2-CD1 4.29Å; I80-L82 PolarHBondContact O-N 3.47Å; L82-T135 WeakPolarHBondContact O-CG2 3.49Å; L82-H162 HydrophobicContact CB-CB 4.19Å; L82-H162 WeakPolarHBondContact CB-O 3.26Å; L82-H162 PolarHBondContact N-O 2.8Å; L82-A164 HydrophobicContact CD1-CB 4.12Å; L82-A164 HydrophobicContact CD2-CB 4.05Å; L82-A164 HydrophobicContact CG-CB 4.12Å
83S91.9Very high91.8Very high29 Ų2931.5 Ų31.520%0.20316%0.163CC..EExtended strand (participates in β ladder)trans-157152.8170.768.70000110.2Y9 T135 T161 H162Y9-S83 VanDerWaalsContact OH-CB 3.22Å; Y9-S83 WeakPolarHBondContact OH-CB 3.32Å; Y9-S83 PolarHBondContact OH-OG 2.76Å; S83-T135 WeakPolarHBondContact CA-OG1 3.43Å; S83-T161 CarbonylContact O-C 3.58Å; S83-T161 VanDerWaalsContact O-CA 3.31Å; S83-T161 WeakPolarHBondContact O-CA 3.44Å; S83-T161 VanDerWaalsContact O-CG2 3.32Å; S83-T161 WeakPolarHBondContact O-CG2 3.2Å; S83-H162 PolarHBondContact N-O 2.87Å; S83-H162 PolarHBondContact O-N 2.58Å; S83-H162 WeakPolarHBondContact OG-CB 3.48Å; S83-H162 PolarHBondContact OG-ND1 2.79Å
84G94.2Very high91.4Very high19 Ų1931.8 Ų31.820%0.19617%0.167CC..SBendtrans106.3-166.1178.300000113T135G84-T135 PolarHBondContact O-N 3.32Å
85H96.1Very high90.8Very high73 Ų7325.4 Ų25.434%0.33814%0.138SC..EExtended strand (participates in β ladder)trans-145138.7-177.4-170.4-81.9000109.8F133 D158 C159 T161H85-F133 CarbonylContact C-O 3.47Å; H85-F133 WeakPolarHBondContact CA-O 3.29Å; H85-D158 HydrophobicContact CB-CB 4.39Å; H85-D158 IonicContact CE1-OD2 3.79Å; H85-D158 PolarHBondContact CE1-OD2 3.09Å; H85-D158 VanDerWaalsContact CE1-OD2 3.31Å; H85-D158 IonicContact CG-OD2 3.87Å; H85-D158 IonicContact ND1-OD2 3.9Å; H85-D158 PolarHBondContact ND1-OD2 3.23Å; H85-D158 WeakPolarHBondContact O-CB 3.42Å; H85-D158 PolarHBondContact O-N 3.26Å; H85-C159 PolarHBondContact N-SG 2.99Å; H85-C159 VanDerWaalsContact N-SG 3.37Å; H85-T161 PolarHBondContact N-OG1 3.4Å; H85-T161 PolarHBondContact O-OG1 2.88Å
86V95.8Very high90.1Very high0 Ų031.7 Ų31.70%017%0.167CC..EExtended strand (participates in β ladder)trans-127.9149.7177.7-52.40000110.3I68 I81 G132 F133 F139 V155 I156 D158 T161I68-V86 HydrophobicContact CD1-CG1 3.69Å; I81-V86 HydrophobicContact CD1-CG1 4.26Å; I81-V86 HydrophobicContact CD1-CG2 3.56Å; V86-G132 CarbonylContact O-C 3.57Å; V86-G132 WeakPolarHBondContact O-CA 3.23Å; V86-F133 HydrophobicContact CG2-CB 3.83Å; V86-F133 PolarHBondContact N-O 2.89Å; V86-F133 PolarHBondContact O-N 3.49Å; V86-F139 HydrophobicContact CG1-CE1 4.48Å; V86-F139 HydrophobicContact CG2-CD1 4.24Å; V86-F139 HydrophobicContact CG2-CE1 3.93Å; V86-V155 HydrophobicContact CB-CG1 3.83Å; V86-V155 HydrophobicContact CG1-CG1 4.47Å; V86-V155 HydrophobicContact CG2-CG1 3.82Å; V86-I156 CarbonylContact C-O 3.59Å; V86-I156 VanDerWaalsContact CA-O 3.23Å; V86-I156 WeakPolarHBondContact CA-O 3.39Å; V86-I156 WeakPolarHBondContact CB-O 3.48Å; V86-D158 VanDerWaalsContact C-OD2 3.24Å; V86-T161 HydrophobicContact CG1-CG2 3.89Å
87S95.1Very high89Confident10 Ų1030.1 Ų30.17%0.0716%0.159CC..EExtended strand (participates in β ladder)trans-115.7134.9175.5-78.90000110.5Y89 I156 D158S87-Y89 VanDerWaalsContact CB-CE2 3.47Å; S87-I156 PolarHBondContact N-O 3.16Å; S87-I156 PolarHBondContact O-N 2.85Å; S87-D158 WeakPolarHBondContact CB-OD2 3.49Å; S87-D158 PolarHBondContact N-OD2 2.84Å; S87-D158 VanDerWaalsContact OG-CG 3.26Å; S87-D158 PolarHBondContact OG-OD1 2.67Å; S87-D158 PolarHBondContact OG-OD2 3.06Å
88I93.4Very high87.6Confident16 Ų1633.2 Ų33.28%0.08217%0.174CC..EExtended strand (participates in β ladder)trans-103126.4-179.5-55.3-165.5000109.9V90 V130 V131 F133 F139 A153 T154 V155I88-V90 HydrophobicContact CG2-CG2 4.36Å; I88-V130 HydrophobicContact CG2-CB 4.44Å; I88-V130 WeakPolarHBondContact O-CB 3.3Å; I88-V130 PolarHBondContact O-N 3.38Å; I88-V131 HydrophobicContact CB-CG1 3.98Å; I88-V131 HydrophobicContact CD1-CG1 3.9Å; I88-V131 HydrophobicContact CG1-CG1 4.04Å; I88-V131 PolarHBondContact N-O 3.29Å; I88-F133 HydrophobicContact CD1-CD2 3.51Å; I88-F133 HydrophobicContact CD1-CE2 3.19Å; I88-F133 HydrophobicContact CD1-CZ 4.02Å; I88-F133 HydrophobicContact CG1-CD2 4.24Å; I88-F133 HydrophobicContact CG1-CE2 4.3Å; I88-F139 HydrophobicContact CD1-CB 4.45Å; I88-A153 HydrophobicContact CG2-CB 3.58Å; I88-T154 CarbonylContact C-O 3.54Å; I88-T154 WeakPolarHBondContact CA-O 3.43Å; I88-V155 HydrophobicContact CD1-CG2 4.29Å; I88-V155 HydrophobicContact CG1-CG1 4.42Å; I88-V155 HydrophobicContact CG1-CG2 4.08Å
89Y92.9Very high85.5Confident20 Ų2041.6 Ų41.68%0.07821%0.213CC..EExtended strand (participates in β ladder)trans-117.6136.9178-61.1-98.7000109.7S87 R123 C126 N128 L129 T154 I156S87-Y89 VanDerWaalsContact CB-CE2 3.47Å; Y89-R123 HydrophobicContact CE1-CB 4.09Å; Y89-R123 WeakPolarHBondContact OH-CD 3.42Å; Y89-C126 WeakPolarHBondContact CB-O 3.48Å; Y89-C126 HydrophobicContact CG-CB 4.06Å; Y89-N128 WeakPolarHBondContact CA-O 3.49Å; Y89-L129 HydrophobicContact CD1-CB 4.12Å; Y89-L129 HydrophobicContact CD1-CD1 4.43Å; Y89-L129 HydrophobicContact CE1-CB 3.81Å; Y89-L129 HydrophobicContact CE1-CD1 3.95Å; Y89-L129 HydrophobicContact CE1-CG 4.44Å; Y89-L129 HydrophobicContact CE2-CD1 4.07Å; Y89-T154 PolarHBondContact N-O 3.42Å; Y89-T154 PolarHBondContact O-N 3.37Å; Y89-I156 HydrophobicContact CD2-CD1 3.64Å; Y89-I156 HydrophobicContact CD2-CG1 4.01Å; Y89-I156 HydrophobicContact CE2-CB 4.31Å; Y89-I156 HydrophobicContact CE2-CD1 3.65Å; Y89-I156 HydrophobicContact CE2-CG1 4.11Å; Y89-I156 HydrophobicContact CG-CD1 4.49Å
90V91.5Very high83.2Confident12 Ų1247.9 Ų47.97%0.07324%0.243CC..EExtended strand (participates in β ladder)trans-136.4127.1177.7177.10000109.2I88 T92 N128 V130 A153I88-V90 HydrophobicContact CG2-CG2 4.36Å; V90-T92 PolarHBondContact O-N 3.22Å; V90-N128 PolarHBondContact N-O 2.84Å; V90-N128 PolarHBondContact O-N 2.84Å; V90-N128 VanDerWaalsContact O-N 3.14Å; V90-V130 HydrophobicContact CB-CG2 3.69Å; V90-V130 HydrophobicContact CG2-CG2 3.62Å; V90-A153 HydrophobicContact CG2-CB 3.34Å
91N89.1Confident80.8Confident40 Ų4053.5 Ų53.521%0.21428%0.277CS..  trans-87.4100.5165.9-167.5-22.1000109.5Q71 E93 L94Q71-N91 PolarHBondContact NE2-O 3.49Å; Q71-N91 VanDerWaalsContact NE2-O 3.16Å; N91-E93 PolarHBondContact O-N 3.41Å; N91-E93 PolarHBondContact OD1-N 3.11Å; N91-L94 HydrophobicContact CB-CB 4.43Å; N91-L94 HydrophobicContact CB-CD1 3.98Å; N91-L94 HydrophobicContact CB-CG 4.21Å; N91-L94 VanDerWaalsContact ND2-CD1 3.26Å; N91-L94 WeakPolarHBondContact ND2-CD1 3.28Å; N91-L94 WeakPolarHBondContact ND2-CG 3.33Å; N91-L94 PolarHBondContact O-N 2.91Å
92T85.8Confident78.1Confident6 Ų658.4 Ų58.44%0.03731%0.307CS..G310 helixtrans-64-28.5-178.5-67.50000112.9V90 L94 L203 Q206 R345 L346V90-T92 PolarHBondContact O-N 3.22Å; T92-L94 VanDerWaalsContact C-N 3.34Å; T92-L203 HydrophobicContact CG2-CD2 3.52Å; T92-Q206 PolarHBondContact OG1-OE1 2.84Å; T92-R345 PolarHBondContact OG1-NH1 3.04Å; T92-L346 HydrophobicContact CG2-CD2 4.33Å
93E84.1Confident75.5Confident60 Ų6065.4 Ų65.428%0.2834%0.34SS..G310 helixtrans-76.5-22.5-175-60.7-73.3148.500112.4N91 S349 R350N91-E93 PolarHBondContact O-N 3.41Å; N91-E93 PolarHBondContact OD1-N 3.11Å; E93-S349 PolarHBondContact OE1-OG 3.39Å; E93-R350 VanDerWaalsContact CD-NH2 3.34Å; E93-R350 PolarHBondContact OE1-N 2.93Å; E93-R350 IonicContact OE2-CZ 3.37Å; E93-R350 IonicContact OE2-NE 2.72Å; E93-R350 PolarHBondContact OE2-NE 3.1Å; E93-R350 IonicContact OE2-NH2 3.32Å; E93-R350 PolarHBondContact OE2-NH2 2.78Å
94L82.5Confident72.8Confident90 Ų9073.2 Ų73.247%0.47137%0.373SS..G310 helixtrans-90.9-6.9-178.6-64.9179.3000114.1F72 N91 T92 H96F72-L94 HydrophobicContact CE2-CB 3.53Å; F72-L94 HydrophobicContact CE2-CD1 4.12Å; F72-L94 HydrophobicContact CE2-CG 4.49Å; F72-L94 HydrophobicContact CZ-CB 3.6Å; F72-L94 WeakPolarHBondContact CZ-O 3.47Å; N91-L94 HydrophobicContact CB-CB 4.43Å; N91-L94 HydrophobicContact CB-CD1 3.98Å; N91-L94 HydrophobicContact CB-CG 4.21Å; N91-L94 VanDerWaalsContact ND2-CD1 3.26Å; N91-L94 WeakPolarHBondContact ND2-CD1 3.28Å; N91-L94 WeakPolarHBondContact ND2-CG 3.33Å; N91-L94 PolarHBondContact O-N 2.91Å; T92-L94 VanDerWaalsContact C-N 3.34Å; L94-H96 PolarHBondContact O-CE1 2.96Å; L94-H96 PolarHBondContact O-N 3.35Å; L94-H96 PolarHBondContact O-ND1 3.35Å; L94-H96 VanDerWaalsContact O-ND1 3.11Å
95V78.5Confident69.6Low20 Ų2079.9 Ų79.912%0.12140%0.399CS..  trans-78.5109-176.8179.40000109.5F72 R351F72-V95 HydrophobicContact CE1-CG2 4.29Å; F72-V95 HydrophobicContact CZ-CG2 4.1Å; V95-R351 VanDerWaalsContact O-CZ 3.24Å; V95-R351 PolarHBondContact O-NH1 2.83Å; V95-R351 PolarHBondContact O-NH2 2.96Å
96H72.2Confident66.6Low131 Ų13183.7 Ų83.761%0.60642%0.422SS*.  trans-66.4151.8178.6-60.477.9000111.1L94L94-H96 PolarHBondContact O-CE1 2.96Å; L94-H96 PolarHBondContact O-N 3.35Å; L94-H96 PolarHBondContact O-ND1 3.35Å; L94-H96 VanDerWaalsContact O-ND1 3.11Å
97D66.5Low63.6Low61 Ų6192.6 Ų92.633%0.32646%0.463SS..  trans-77142.4168.9-70.5-48.1000109.2Q99 E100 S202 R351D97-Q99 PolarHBondContact O-N 3.35Å; D97-E100 PolarHBondContact O-N 2.83Å; D97-S202 WeakPolarHBondContact OD1-CB 3.5Å; D97-S202 PolarHBondContact OD1-N 3.08Å; D97-S202 PolarHBondContact OD1-OG 3.46Å; D97-R351 IonicContact OD1-NH2 3.46Å; D97-R351 PolarHBondContact OD1-NH2 2.95Å; D97-R351 IonicContact OD2-NH2 3.35Å; D97-R351 PolarHBondContact OD2-NH2 3.3Å
98D60.9Low60.6Low84 Ų8497 Ų9745%0.44949%0.494SS..G310 helixtrans-57.1-13.4-172.1-50.9-44.2000114.3E100 K205D98-E100 VanDerWaalsContact C-N 3.32Å; D98-E100 PolarHBondContact O-N 2.99Å; D98-K205 IonicContact OD1-NZ 2.82Å; D98-K205 PolarHBondContact OD1-NZ 3.42Å; D98-K205 VanDerWaalsContact OD2-CE 3.26Å; D98-K205 WeakPolarHBondContact OD2-CE 3.38Å; D98-K205 IonicContact OD2-NZ 3.83Å; D98-K205 PolarHBondContact OD2-NZ 3.03Å
99Q50.6Low57.4Low176 Ų176100.2 Ų100.282%0.82253%0.531SS*.G310 helixtrans-76.4-11.5-174.9-68.1-174.65.300114.5D97D97-Q99 PolarHBondContact O-N 3.35Å
100E45.5Very low54.3Low153 Ų153103.3 Ų103.372%0.71556%0.556SS**G310 helixtrans-97.14.3-178.4-75-167.8165.100115.4D97 D98 V102D97-E100 PolarHBondContact O-N 2.83Å; D98-E100 VanDerWaalsContact C-N 3.32Å; D98-E100 PolarHBondContact O-N 2.99Å; E100-V102 PolarHBondContact O-N 3.34Å
101V43.5Very low51.6Low119 Ų119107.8 Ų107.872%0.72159%0.588SS**  trans-80.749.6167.2-156.40000110.3
102V36.8Very low48.9Very low106 Ų106110 Ų11064%0.64260%0.603SS**SBendtrans-96.898.2165.2-179.30000106E100 Q104E100-V102 PolarHBondContact O-N 3.34Å; V102-Q104 PolarHBondContact O-N 3.03Å
103H39.7Very low46.3Very low148 Ų148119.1 Ų119.169%0.68564%0.642SS**  trans41.868.6159-58.5-78.9000116.5Q105H103-Q105 PolarHBondContact O-N 3.21Å
104Q33.6Very low44Very low194 Ų194122.9 Ų122.991%0.90766%0.659SS**  trans-82.767.9140.9-72.1-176.122.100107.7V102 D106V102-Q104 PolarHBondContact O-N 3.03Å; Q104-D106 PolarHBondContact O-N 3.16Å
105Q27Very low42Very low159 Ų159123.8 Ų123.874%0.74367%0.673SS**  trans-73.688.3144.4-78.1179.5-26.300104.5H103H103-Q105 PolarHBondContact O-N 3.21Å
106D34.1Very low40.7Very low153 Ų153126.5 Ų126.582%0.81869%0.689SS**  trans-147.2125.5156.6-88.9-34.8000109.7Q104 S108Q104-D106 PolarHBondContact O-N 3.16Å; D106-S108 PolarHBondContact O-N 3.32Å
107E31.3Very low40Very low186 Ų186126.5 Ų126.587%0.86969%0.69SS**  trans-36.9116.4179-56.7-169.6150.400114.6
108S33.3Very low40.2Very low103 Ų103132.4 Ų132.472%0.7271%0.708SS**  -168.7100.5129.3-88.60000108.9D106 S110D106-S108 PolarHBondContact O-N 3.32Å; S108-S110 PolarHBondContact O-N 3.38Å
109G25.7Very low41.3Very low83 Ų83134.2 Ų134.286%0.85671%0.711SS**  trans-61.770.6151.300000109.5S111G109-S111 VanDerWaalsContact C-N 3.34Å; G109-S111 PolarHBondContact O-N 3.44Å
110S28.9Very low42.8Very low85 Ų85126.2 Ų126.259%0.59468%0.676SS**  trans-9189.2154.7-79.30000105.1S108 V112S108-S110 PolarHBondContact O-N 3.38Å; S110-V112 PolarHBondContact O-N 2.92Å
111S33.6Very low44.3Very low107 Ų107124.6 Ų124.675%0.74868%0.676SS**  trans-59.372154.5-50.50000107.3G109 K113G109-S111 VanDerWaalsContact C-N 3.34Å; G109-S111 PolarHBondContact O-N 3.44Å; S111-K113 PolarHBondContact O-N 2.95Å
112V32Very low46.1Very low87 Ų87122.1 Ų122.153%0.52766%0.659SS.*  trans-72.688.5169.4-160.50000103.9S110 H114S110-V112 PolarHBondContact O-N 2.92Å; V112-H114 HydrophobicContact CG1-CB 4.35Å; V112-H114 WeakPolarHBondContact CG1-CD2 3.48Å; V112-H114 VanDerWaalsContact CG1-NE2 3.28Å; V112-H114 WeakPolarHBondContact CG1-NE2 3.45Å; V112-H114 PolarHBondContact O-N 3.46Å
113K31.6Very low48.4Very low196 Ų196120.3 Ų120.385%0.85264%0.64SS**  trans-61.562.8153.4-64179.5-179.61770106.4S111 S115S111-K113 PolarHBondContact O-N 2.95Å; K113-S115 PolarHBondContact O-N 3.43Å
114H35.8Very low50.4Low139 Ų139120.9 Ų120.964%0.64464%0.644SS**  trans-54.7119.3155.2-83-54.2000102.9V112 V116V112-H114 HydrophobicContact CG1-CB 4.35Å; V112-H114 WeakPolarHBondContact CG1-CD2 3.48Å; V112-H114 VanDerWaalsContact CG1-NE2 3.28Å; V112-H114 WeakPolarHBondContact CG1-NE2 3.45Å; V112-H114 PolarHBondContact O-N 3.46Å; H114-V116 VanDerWaalsContact O-CG2 3.29Å; H114-V116 WeakPolarHBondContact O-CG2 3.35Å; H114-V116 PolarHBondContact O-N 2.7Å
115S41.4Very low52.7Low110 Ų110119.6 Ų119.677%0.76964%0.635SS**  trans-48.487.5161.347.60000106.3K113 E117K113-S115 PolarHBondContact O-N 3.43Å; S115-E117 VanDerWaalsContact C-N 3.35Å; S115-E117 PolarHBondContact O-N 2.84Å
116V51.1Low55.4Low76 Ų76112.9 Ų112.946%0.46161%0.605SS.*  trans-62.4106.8-173.8178.80000103.5R70 H114 R118R70-V116 VanDerWaalsContact NE-CG1 3.26Å; H114-V116 VanDerWaalsContact O-CG2 3.29Å; H114-V116 WeakPolarHBondContact O-CG2 3.35Å; H114-V116 PolarHBondContact O-N 2.7Å; V116-R118 VanDerWaalsContact C-N 3.27Å; V116-R118 PolarHBondContact O-N 3.06Å
117E56.9Low57.8Low132 Ų132106.2 Ų106.262%0.61757%0.573SS**  trans-55.3101174-72.3-178.4167.800105.4R70 S115 K119R70-E117 PolarHBondContact NH2-O 2.85Å; S115-E117 VanDerWaalsContact C-N 3.35Å; S115-E117 PolarHBondContact O-N 2.84Å; E117-K119 PolarHBondContact O-N 2.97Å; E117-K119 VanDerWaalsContact O-N 3.13Å
118R72.1Confident60.6Low185 Ų185101.7 Ų101.770%0.69855%0.554SS**  trans-67.1-16.5-175.6-72.4-176.4179.1148-1.2110.9D66 I67 V116D66-R118 CarbonylContact C-O 3.53Å; D66-R118 WeakPolarHBondContact CA-O 3.39Å; I67-R118 PolarHBondContact N-O 3.32Å; V116-R118 VanDerWaalsContact C-N 3.27Å; V116-R118 PolarHBondContact O-N 3.06Å
119K83.2Confident63.2Low121 Ų121100 Ų10053%0.52654%0.537SS..BIsolated β-bridgetrans-99.5133179.7-61.9-162.5171.5-159.20112.3D65 E117 T121D65-K119 CarbonylContact O-C 3.48Å; D65-K119 WeakPolarHBondContact O-CA 3.29Å; E117-K119 PolarHBondContact O-N 2.97Å; E117-K119 VanDerWaalsContact O-N 3.13Å; K119-T121 PolarHBondContact O-N 3.17Å
120A81.5Confident66Low9 Ų996.9 Ų96.97%0.07450%0.501CS..  trans-82.488.3172.500000110.7D65 I67 R123 I156D65-A120 PolarHBondContact O-N 2.99Å; I67-A120 HydrophobicContact CD1-CB 3.86Å; I67-A120 HydrophobicContact CG1-CB 3.77Å; A120-R123 HydrophobicContact CB-CG 4.43Å; A120-I156 HydrophobicContact CB-CD1 3.73Å; A120-I156 HydrophobicContact CB-CG1 4.39Å; A120-I156 HydrophobicContact CB-CG2 3.98Å
121T77Confident68.8Low118 Ų11894.9 Ų94.972%0.72449%0.486SS*.SBendtrans-65.9-35.8176.552.40000113.1K119K119-T121 PolarHBondContact O-N 3.17Å
122N82.4Confident71.6Confident67 Ų6791.4 Ų91.436%0.35847%0.466SS..  trans-132.8110.1172.3-175.1-8.9000110.2E124N122-E124 VanDerWaalsContact C-N 3.28Å; N122-E124 PolarHBondContact O-N 3.28Å; N122-E124 VanDerWaalsContact OD1-CB 3.29Å; N122-E124 WeakPolarHBondContact OD1-CB 3.42Å; N122-E124 WeakPolarHBondContact OD1-CG 3.4Å; N122-E124 PolarHBondContact OD1-N 3.37Å
123R85.2Confident74.3Confident68 Ų6890 Ų9026%0.25745%0.453SS..G310 helixtrans-69.3-22.9-177.4-57.9-179.7178.3-158.5-6.3113.3D65 Y89 A120 K125 C126 I156 D158D65-R123 IonicContact OD1-CZ 2.75Å; D65-R123 IonicContact OD1-NE 3.7Å; D65-R123 PolarHBondContact OD1-NE 2.72Å; D65-R123 IonicContact OD1-NH2 3.58Å; D65-R123 PolarHBondContact OD1-NH2 3.49Å; Y89-R123 HydrophobicContact CE1-CB 4.09Å; Y89-R123 WeakPolarHBondContact OH-CD 3.42Å; A120-R123 HydrophobicContact CB-CG 4.43Å; R123-K125 PolarHBondContact O-N 3.4Å; R123-C126 WeakPolarHBondContact O-CB 3.42Å; R123-C126 PolarHBondContact O-N 3.48Å; R123-I156 HydrophobicContact CB-CD1 4.41Å; R123-I156 HydrophobicContact CG-CD1 4.14Å; R123-D158 IonicContact CZ-OD1 3.24Å; R123-D158 IonicContact NH1-OD1 2.7Å; R123-D158 PolarHBondContact NH1-OD1 3.32Å; R123-D158 IonicContact NH2-OD1 2.78Å; R123-D158 PolarHBondContact NH2-OD1 3.23Å
124E79.8Confident77.1Confident161 Ų16181.9 Ų81.975%0.75243%0.425SS*.G310 helixtrans-62.4-28.4179.9-61176.4162.600112.4N122 C126 G127N122-E124 VanDerWaalsContact C-N 3.28Å; N122-E124 PolarHBondContact O-N 3.28Å; N122-E124 VanDerWaalsContact OD1-CB 3.29Å; N122-E124 WeakPolarHBondContact OD1-CB 3.42Å; N122-E124 WeakPolarHBondContact OD1-CG 3.4Å; N122-E124 PolarHBondContact OD1-N 3.37Å; E124-C126 PolarHBondContact O-N 3.28Å; E124-G127 PolarHBondContact O-N 3.07Å
125K83.6Confident79.8Confident166 Ų16679 Ų7972%0.72242%0.418SS*.G310 helixtrans-66.1-22.5177.1-66.1-176.5-179.9178.20113R123 G127R123-K125 PolarHBondContact O-N 3.4Å; K125-G127 PolarHBondContact O-N 2.65Å
126C82.4Confident81.9Confident18 Ų1874.4 Ų74.412%0.12239%0.387CS..G310 helixtrans-82.50.2-178.7-58.40000112.9Y89 R123 E124 T154 I156Y89-C126 WeakPolarHBondContact CB-O 3.48Å; Y89-C126 HydrophobicContact CG-CB 4.06Å; R123-C126 WeakPolarHBondContact O-CB 3.42Å; R123-C126 PolarHBondContact O-N 3.48Å; E124-C126 PolarHBondContact O-N 3.28Å; C126-T154 HydrophobicContact CB-CG2 4.07Å; C126-I156 HydrophobicContact CB-CD1 4.49Å
127G85.9Confident83.8Confident13 Ų1372.1 Ų72.113%0.13438%0.376CS..  trans94.4-156.8-177.400000112.5E124 K125E124-G127 PolarHBondContact O-N 3.07Å; K125-G127 PolarHBondContact O-N 2.65Å
128N88.6Confident85.4Confident91 Ų9167.2 Ų67.249%0.48736%0.356SS..EExtended strand (participates in β ladder)trans-84.4138.6-172.5-61.431.9000109.9Y89 V90 V130 R345Y89-N128 WeakPolarHBondContact CA-O 3.49Å; V90-N128 PolarHBondContact N-O 2.84Å; V90-N128 PolarHBondContact O-N 2.84Å; V90-N128 VanDerWaalsContact O-N 3.14Å; N128-V130 PolarHBondContact O-N 2.73Å; N128-R345 HydrophobicContact CB-CG 4.31Å
129L87.6Confident86.4Confident68 Ų6858.6 Ų58.636%0.35632%0.324SS..EExtended strand (participates in β ladder)trans-64.3121171.6178.566.9000109.9Y89Y89-L129 HydrophobicContact CD1-CB 4.12Å; Y89-L129 HydrophobicContact CD1-CD1 4.43Å; Y89-L129 HydrophobicContact CE1-CB 3.81Å; Y89-L129 HydrophobicContact CE1-CD1 3.95Å; Y89-L129 HydrophobicContact CE1-CG 4.44Å; Y89-L129 HydrophobicContact CE2-CD1 4.07Å
130V86.5Confident86.7Confident17 Ų1753.4 Ų53.410%0.10331%0.305CS..EExtended strand (participates in β ladder)trans-93.4-58.9-178.1175.80000109.9I88 V90 N128 N342I88-V130 HydrophobicContact CG2-CB 4.44Å; I88-V130 WeakPolarHBondContact O-CB 3.3Å; I88-V130 PolarHBondContact O-N 3.38Å; V90-V130 HydrophobicContact CB-CG2 3.69Å; V90-V130 HydrophobicContact CG2-CG2 3.62Å; N128-V130 PolarHBondContact O-N 2.73Å; V130-N342 WeakPolarHBondContact CG1-OD1 3.44Å; V130-N342 PolarHBondContact O-OD1 3.44Å
131V87.6Confident87.1Confident44 Ų4455 Ų5527%0.26731%0.311SS..EExtended strand (participates in β ladder)trans-156151.3-172.167.40000110.8I88 F133I88-V131 HydrophobicContact CB-CG1 3.98Å; I88-V131 HydrophobicContact CD1-CG1 3.9Å; I88-V131 HydrophobicContact CG1-CG1 4.04Å; I88-V131 PolarHBondContact N-O 3.29Å; V131-F133 HydrophobicContact CB-CE1 4.28Å; V131-F133 HydrophobicContact CG1-CD1 4.24Å; V131-F133 HydrophobicContact CG1-CE1 3.66Å; V131-F133 HydrophobicContact CG1-CE2 4.12Å; V131-F133 HydrophobicContact CG1-CZ 3.59Å; V131-F133 HydrophobicContact CG2-CD1 3.97Å; V131-F133 HydrophobicContact CG2-CE1 3.59Å; V131-F133 HydrophobicContact CG2-CZ 4.35Å
132G90.5Very high87.6Confident33 Ų3350.8 Ų50.834%0.3428%0.284SS..EExtended strand (participates in β ladder)trans-106.3136.3168.300000110.1V86V86-G132 CarbonylContact O-C 3.57Å; V86-G132 WeakPolarHBondContact O-CA 3.23Å
133F90.3Very high87.8Confident58 Ų5847.7 Ų47.725%0.25427%0.268SS..EExtended strand (participates in β ladder)trans-119.2128.3178.4-69.9-27000110I81 H85 V86 I88 V131 A137 F139I81-F133 HydrophobicContact CD1-CB 3.65Å; H85-F133 CarbonylContact C-O 3.47Å; H85-F133 WeakPolarHBondContact CA-O 3.29Å; V86-F133 HydrophobicContact CG2-CB 3.83Å; V86-F133 PolarHBondContact N-O 2.89Å; V86-F133 PolarHBondContact O-N 3.49Å; I88-F133 HydrophobicContact CD1-CD2 3.51Å; I88-F133 HydrophobicContact CD1-CE2 3.19Å; I88-F133 HydrophobicContact CD1-CZ 4.02Å; I88-F133 HydrophobicContact CG1-CD2 4.24Å; I88-F133 HydrophobicContact CG1-CE2 4.3Å; V131-F133 HydrophobicContact CB-CE1 4.28Å; V131-F133 HydrophobicContact CG1-CD1 4.24Å; V131-F133 HydrophobicContact CG1-CE1 3.66Å; V131-F133 HydrophobicContact CG1-CE2 4.12Å; V131-F133 HydrophobicContact CG1-CZ 3.59Å; V131-F133 HydrophobicContact CG2-CD1 3.97Å; V131-F133 HydrophobicContact CG2-CE1 3.59Å; V131-F133 HydrophobicContact CG2-CZ 4.35Å; F133-A137 HydrophobicContact CB-CB 3.8Å; F133-A137 HydrophobicContact CD1-CB 4.3Å; F133-A137 HydrophobicContact CG-CB 4.06Å; F133-F139 HydrophobicContact CD2-CB 4.16Å; F133-F139 HydrophobicContact CD2-CD1 4.38Å; F133-F139 HydrophobicContact CE2-CB 4.08Å
134G90.4Very high87.9Confident26 Ų2644.5 Ų44.527%0.26826%0.256SS..EExtended strand (participates in β ladder)trans-101.4-172.9174.400000112.8G136 A137G134-G136 PolarHBondContact O-N 3.37Å; G134-A137 VanDerWaalsContact O-CB 3.29Å; G134-A137 WeakPolarHBondContact O-CB 3.32Å; G134-A137 PolarHBondContact O-N 3.33Å; G134-A137 VanDerWaalsContact O-N 3.12Å
135T91Very high88.3Confident79 Ų7937.5 Ų37.549%0.48522%0.223SC..THydrogen-bonded Turntrans-44.3132.5173.3-54.80000113.2L82 S83 G84 A137L82-T135 WeakPolarHBondContact O-CG2 3.49Å; S83-T135 WeakPolarHBondContact CA-OG1 3.43Å; G84-T135 PolarHBondContact O-N 3.32Å; T135-A137 VanDerWaalsContact C-N 3.31Å
136G87Confident88.4Confident12 Ų1231.6 Ų31.612%0.12420%0.2CC..THydrogen-bonded Turntrans88.8-15.6179.800000114.6K38 I81 G134K38-G136 VanDerWaalsContact O-CA 3.31Å; K38-G136 WeakPolarHBondContact O-CA 3.49Å; I81-G136 PolarHBondContact O-N 2.76Å; G134-G136 PolarHBondContact O-N 3.37Å
137A90.8Very high88.2Confident28 Ų2840 Ų4023%0.23123%0.234CC..  trans-78.4161172.300000111.6I81 F133 G134 T135I81-A137 WeakPolarHBondContact CB-O 3.44Å; I81-A137 HydrophobicContact CD1-CB 4.36Å; I81-A137 PolarHBondContact N-O 3.44Å; F133-A137 HydrophobicContact CB-CB 3.8Å; F133-A137 HydrophobicContact CD1-CB 4.3Å; F133-A137 HydrophobicContact CG-CB 4.06Å; G134-A137 VanDerWaalsContact O-CB 3.29Å; G134-A137 WeakPolarHBondContact O-CB 3.32Å; G134-A137 PolarHBondContact O-N 3.33Å; G134-A137 VanDerWaalsContact O-N 3.12Å; T135-A137 VanDerWaalsContact C-N 3.31Å
138S90.9Very high87.9Confident29 Ų2944.1 Ų44.120%0.20325%0.253CS..EExtended strand (participates in β ladder)trans-134.7157-178.9610000111.2F41 F78 Y79F41-S138 WeakPolarHBondContact CE1-OG 3.38Å; F78-S138 WeakPolarHBondContact CZ-OG 3.2Å; Y79-S138 CarbonylContact O-C 3.6Å; Y79-S138 WeakPolarHBondContact O-CA 3.46Å; Y79-S138 VanDerWaalsContact O-CB 3.31Å; Y79-S138 WeakPolarHBondContact O-CB 3.3Å
139F92.8Very high87.8Confident4 Ų439.9 Ų39.92%0.01823%0.231CC..EExtended strand (participates in β ladder)trans-157.1160.1-17961.4-91.6000112.4I68 I69 F78 Y79 I81 V86 I88 F133 E141 V155 L163I68-F139 HydrophobicContact CD1-CZ 4.21Å; I68-F139 HydrophobicContact CG2-CE2 4.13Å; I68-F139 HydrophobicContact CG2-CZ 4.17Å; I69-F139 HydrophobicContact CD1-CD2 3.68Å; I69-F139 HydrophobicContact CD1-CE2 3.7Å; I69-F139 HydrophobicContact CG1-CE2 4.3Å; F78-F139 WeakPolarHBondContact CD2-O 3.28Å; Y79-F139 HydrophobicContact CD2-CD2 4.05Å; Y79-F139 AromaticContact CD2-CE2 3.61Å; Y79-F139 HydrophobicContact CD2-CE2 3.61Å; Y79-F139 HydrophobicContact CD2-CZ 4.32Å; Y79-F139 HydrophobicContact CE2-CE2 4.45Å; Y79-F139 HydrophobicContact CG-CD2 4.38Å; Y79-F139 AromaticContact CG-CE2 3.72Å; Y79-F139 HydrophobicContact CG-CE2 3.72Å; Y79-F139 AromaticContact CG-CZ 3.95Å; Y79-F139 HydrophobicContact CG-CZ 3.95Å; Y79-F139 PolarHBondContact N-O 3.09Å; Y79-F139 PolarHBondContact O-N 3.18Å; I81-F139 HydrophobicContact CD1-CD1 4.1Å; I81-F139 HydrophobicContact CD1-CE1 3.9Å; I81-F139 HydrophobicContact CG1-CD1 4.15Å; I81-F139 HydrophobicContact CG1-CE1 3.69Å; V86-F139 HydrophobicContact CG1-CE1 4.48Å; V86-F139 HydrophobicContact CG2-CD1 4.24Å; V86-F139 HydrophobicContact CG2-CE1 3.93Å; I88-F139 HydrophobicContact CD1-CB 4.45Å; F133-F139 HydrophobicContact CD2-CB 4.16Å; F133-F139 HydrophobicContact CD2-CD1 4.38Å; F133-F139 HydrophobicContact CE2-CB 4.08Å; F139-E141 WeakPolarHBondContact CA-OE2 3.26Å; F139-V155 HydrophobicContact CD2-CB 4.47Å; F139-V155 HydrophobicContact CD2-CG1 4.2Å; F139-V155 HydrophobicContact CD2-CG2 3.97Å; F139-V155 HydrophobicContact CE1-CG1 4.39Å; F139-V155 HydrophobicContact CE2-CB 4.18Å; F139-V155 HydrophobicContact CE2-CG1 3.81Å; F139-V155 HydrophobicContact CE2-CG2 4.17Å; F139-V155 HydrophobicContact CZ-CG1 3.92Å; F139-L163 HydrophobicContact CE1-CD2 4.19Å; F139-L163 HydrophobicContact CZ-CD1 4.46Å; F139-L163 HydrophobicContact CZ-CD2 4.22Å
140G89.7Confident87.9Confident13 Ų1340 Ų4013%0.13423%0.231CC..  trans97.95.117500000114.4L142 R151G140-L142 VanDerWaalsContact C-N 3.28Å; G140-L142 PolarHBondContact O-N 3.14Å; G140-R151 VanDerWaalsContact CA-NH1 3.3Å; G140-R151 PolarHBondContact O-NH1 3.16Å
141E89.6Confident88.2Confident43 Ų4339.7 Ų39.720%0.20123%0.228CC..Hα-helixtrans-61.8-34.917971.5-71.8174.600112.4F78 F139 A143 L144 I145 Y171F78-E141 HydrophobicContact CD2-CB 3.88Å; F78-E141 HydrophobicContact CE2-CB 3.82Å; F139-E141 WeakPolarHBondContact CA-OE2 3.26Å; E141-A143 PolarHBondContact O-N 3.41Å; E141-L144 PolarHBondContact O-N 2.81Å; E141-I145 HydrophobicContact CB-CD1 4.45Å; E141-I145 HydrophobicContact CG-CD1 4.22Å; E141-I145 WeakPolarHBondContact O-CG1 3.47Å; E141-I145 PolarHBondContact O-N 2.94Å; E141-Y171 HydrophobicContact CB-CE2 4.07Å; E141-Y171 WeakPolarHBondContact CB-OH 3.37Å
142L86.1Confident88.3Confident28 Ų2839.3 Ų39.315%0.14722%0.224CC..Hα-helixtrans-65.4-34.7-172.7-66.9160.3000113.8G140 L144 I145 N146 F183 M209G140-L142 VanDerWaalsContact C-N 3.28Å; G140-L142 PolarHBondContact O-N 3.14Å; L142-L144 PolarHBondContact O-N 3.48Å; L142-I145 HydrophobicContact CD2-CD1 4.43Å; L142-I145 PolarHBondContact O-N 2.94Å; L142-N146 WeakPolarHBondContact O-CB 3.43Å; L142-N146 PolarHBondContact O-N 2.89Å; L142-N146 VanDerWaalsContact O-N 3.08Å; L142-F183 HydrophobicContact CD2-CD2 4.16Å; L142-F183 HydrophobicContact CD2-CE2 4.07Å; L142-F183 HydrophobicContact CD2-CZ 4.42Å; L142-M209 HydrophobicContact CD1-CB 4.21Å; L142-M209 HydrophobicContact CD1-CG 3.69Å; L142-M209 HydrophobicContact CD1-SD 3.3Å; L142-M209 WeakPolarHBondContact CD1-SD 3.43Å; L142-M209 HydrophobicContact CD2-CG 3.77Å; L142-M209 HydrophobicContact CD2-SD 3.94Å; L142-M209 HydrophobicContact CG-CG 4.37Å; L142-M209 HydrophobicContact CG-SD 4.11Å
143A87.7Confident88.4Confident3 Ų338.7 Ų38.73%0.02522%0.216CC..Hα-helixtrans-67.9-27.717500000111.5E141 N146 C149E141-A143 PolarHBondContact O-N 3.41Å; A143-N146 VanDerWaalsContact O-O 3.12Å; A143-C149 VanDerWaalsContact O-CA 3.24Å; A143-C149 WeakPolarHBondContact O-CA 3.36Å; A143-C149 PolarHBondContact O-SG 2.83Å; A143-C149 VanDerWaalsContact O-SG 3.36Å
144L88.2Confident88.6Confident1 Ų136.3 Ų36.31%0.00521%0.206CC..Hα-helixtrans-86.6-25.8179.8-55.7-178.1000112.7G75 F78 E141 L142 R168 Y171G75-L144 WeakPolarHBondContact O-CD2 3.48Å; F78-L144 HydrophobicContact CB-CD1 3.77Å; E141-L144 PolarHBondContact O-N 2.81Å; L142-L144 PolarHBondContact O-N 3.48Å; L144-R168 HydrophobicContact CD2-CB 4.21Å; L144-R168 HydrophobicContact CD2-CG 4.07Å; L144-Y171 HydrophobicContact CB-CD1 3.46Å; L144-Y171 VanDerWaalsContact CB-CD1 3.46Å; L144-Y171 HydrophobicContact CB-CE1 3.41Å; L144-Y171 VanDerWaalsContact CB-CE1 3.41Å; L144-Y171 HydrophobicContact CB-CG 4.23Å; L144-Y171 HydrophobicContact CD1-CD1 3.48Å; L144-Y171 VanDerWaalsContact CD1-CD1 3.48Å; L144-Y171 HydrophobicContact CD1-CD2 3.82Å; L144-Y171 HydrophobicContact CD1-CE1 4.06Å; L144-Y171 HydrophobicContact CD1-CE2 4.35Å; L144-Y171 HydrophobicContact CD1-CG 3.35Å; L144-Y171 HydrophobicContact CG-CD1 4.12Å; L144-Y171 HydrophobicContact CG-CE1 4.38Å; L144-Y171 HydrophobicContact CG-CG 4.44Å
145I87.7Confident88.8Confident13 Ų1335.2 Ų35.27%0.06720%0.195CC..Hα-helixtrans-70.5-47.7172.6-64164.7000109.8E141 L142 Y171 H179 E180E141-I145 HydrophobicContact CB-CD1 4.45Å; E141-I145 HydrophobicContact CG-CD1 4.22Å; E141-I145 WeakPolarHBondContact O-CG1 3.47Å; E141-I145 PolarHBondContact O-N 2.94Å; L142-I145 HydrophobicContact CD2-CD1 4.43Å; L142-I145 PolarHBondContact O-N 2.94Å; I145-Y171 WeakPolarHBondContact CG1-OH 2.99Å; I145-H179 HydrophobicContact CD1-CB 3.84Å; I145-H179 HydrophobicContact CG1-CB 4.39Å; I145-E180 HydrophobicContact CG2-CB 4.26Å; I145-E180 HydrophobicContact CG2-CG 4.23Å
146N84.7Confident89Confident43 Ų4331.5 Ų31.523%0.2317%0.172CC..SBendtrans-73.9146.5-179.7-68.3-14.4000111.8L142 A143L142-N146 WeakPolarHBondContact O-CB 3.43Å; L142-N146 PolarHBondContact O-N 2.89Å; L142-N146 VanDerWaalsContact O-N 3.08Å; A143-N146 VanDerWaalsContact O-O 3.12Å
147K78.4Confident89.5Confident193 Ų19330.9 Ų30.984%0.83917%0.166SC*.THydrogen-bonded Turntrans-68.1-35.3-179.6-68-177.4-179.6178.20112.9C149K147-C149 PolarHBondContact O-N 2.86Å
148D80.6Confident89.7Confident100 Ų10031.3 Ų31.354%0.53516%0.164SC..THydrogen-bonded Turntrans-74.4-13.2-174-45.2-30.8000112.6I150D148-I150 HydrophobicContact CB-CD1 4.04Å; D148-I150 HydrophobicContact CB-CG1 4.01Å; D148-I150 WeakPolarHBondContact O-CG1 3.22Å; D148-I150 PolarHBondContact O-N 3.21Å; D148-I150 VanDerWaalsContact O-N 3.12Å
149C86.6Confident89.9Confident3 Ų332.3 Ų32.32%0.0217%0.171CC..  trans55.825.2-178.6-650000115.8E74 G75 A143 K147 R168E74-C149 CarbonylContact C-O 3.48Å; E74-C149 WeakPolarHBondContact CA-O 3.5Å; E74-C149 HydrophobicContact CG-CB 4.1Å; G75-C149 PolarHBondContact N-O 3.36Å; A143-C149 VanDerWaalsContact O-CA 3.24Å; A143-C149 WeakPolarHBondContact O-CA 3.36Å; A143-C149 PolarHBondContact O-SG 2.83Å; A143-C149 VanDerWaalsContact O-SG 3.36Å; K147-C149 PolarHBondContact O-N 2.86Å; C149-R168 PolarHBondContact SG-NH2 3.43Å
150I89.9Confident90Very high69 Ų6936.8 Ų36.835%0.35419%0.19SC..BIsolated β-bridgetrans-84.2138.6179.6-58.3175.8000111F72 D148F72-I150 HydrophobicContact CB-CG2 4.44Å; F72-I150 HydrophobicContact CD1-CG2 4.2Å; D148-I150 HydrophobicContact CB-CD1 4.04Å; D148-I150 HydrophobicContact CB-CG1 4.01Å; D148-I150 WeakPolarHBondContact O-CG1 3.22Å; D148-I150 PolarHBondContact O-N 3.21Å; D148-I150 VanDerWaalsContact O-N 3.12Å
151R92.4Very high90.3Very high11 Ų1136.1 Ų36.14%0.04218%0.183CC..  trans-77.8120.7174.4-65-68.7-166-164.4-2.5110.9I69 R70 Q71 F72 E73 G75 C77 G140 A153I69-R151 HydrophobicContact CG2-CB 3.66Å; I69-R151 VanDerWaalsContact CG2-CD 3.44Å; I69-R151 HydrophobicContact CG2-CG 3.5Å; R70-R151 VanDerWaalsContact O-CB 3.3Å; R70-R151 WeakPolarHBondContact O-CB 3.29Å; Q71-R151 CarbonylContact C-O 3.5Å; F72-R151 PolarHBondContact N-O 2.99Å; E73-R151 WeakPolarHBondContact O-CB 3.33Å; E73-R151 WeakPolarHBondContact O-CG 3.35Å; E73-R151 PolarHBondContact O-N 3.38Å; G75-R151 VanDerWaalsContact CA-CZ 3.42Å; C77-R151 PolarHBondContact O-NH1 3.35Å; C77-R151 PolarHBondContact O-NH2 2.81Å; G140-R151 VanDerWaalsContact CA-NH1 3.3Å; G140-R151 PolarHBondContact O-NH1 3.16Å; R151-A153 VanDerWaalsContact C-N 3.3Å; R151-A153 PolarHBondContact O-N 3.36Å
152N89.8Confident90.6Very high36 Ų3635.5 Ų35.519%0.19318%0.18CC..  trans-80.6-9.2-178.6-63.7-32000114.3Q71 M209Q71-N152 PolarHBondContact NE2-O 2.83Å; N152-M209 HydrophobicContact CB-CE 4.27Å; N152-M209 HydrophobicContact CB-SD 4.35Å; N152-M209 PolarHBondContact ND2-SD 3.41Å; N152-M209 VanDerWaalsContact ND2-SD 3.4Å
153A91.9Very high91Very high20 Ų2034.1 Ų34.117%0.16517%0.173CC..SBendtrans-149157.4-172.100000111.7I69 R70 Q71 I88 V90 R151I69-A153 VanDerWaalsContact CG2-O 3.29Å; I69-A153 WeakPolarHBondContact CG2-O 3.21Å; R70-A153 CarbonylContact C-O 3.54Å; Q71-A153 PolarHBondContact N-O 3.26Å; I88-A153 HydrophobicContact CG2-CB 3.58Å; V90-A153 HydrophobicContact CG2-CB 3.34Å; R151-A153 VanDerWaalsContact C-N 3.3Å; R151-A153 PolarHBondContact O-N 3.36Å
154T94.4Very high91.3Very high8 Ų834 Ų345%0.04917%0.172CC..EExtended strand (participates in β ladder)trans-95.5134.3168.4-57.60000109.1I67 I69 Q71 I88 Y89 C126 I156I67-T154 HydrophobicContact CG2-CG2 3.9Å; I69-T154 CarbonylContact O-C 3.6Å; I69-T154 WeakPolarHBondContact O-CA 3.31Å; I69-T154 WeakPolarHBondContact O-CG2 3.48Å; Q71-T154 WeakPolarHBondContact CB-OG1 3.3Å; Q71-T154 PolarHBondContact N-OG1 2.94Å; I88-T154 CarbonylContact C-O 3.54Å; I88-T154 WeakPolarHBondContact CA-O 3.43Å; Y89-T154 PolarHBondContact N-O 3.42Å; Y89-T154 PolarHBondContact O-N 3.37Å; C126-T154 HydrophobicContact CB-CG2 4.07Å; T154-I156 HydrophobicContact CG2-CD1 4.48Å; T154-I156 HydrophobicContact CG2-CG1 4.12Å
155V95.1Very high91.6Very high4 Ų434.8 Ų34.82%0.02418%0.177CC..EExtended strand (participates in β ladder)trans-119.7127178.4-174.50000109.2I68 I69 V86 I88 F139I68-V155 HydrophobicContact CD1-CG1 4.24Å; I68-V155 PolarHBondContact N-O 3.38Å; I69-V155 HydrophobicContact CB-CB 4.12Å; I69-V155 HydrophobicContact CB-CG2 4.07Å; I69-V155 HydrophobicContact CD1-CG2 4.14Å; I69-V155 HydrophobicContact CG1-CG2 4.45Å; I69-V155 PolarHBondContact N-O 3.14Å; I69-V155 PolarHBondContact O-N 2.88Å; V86-V155 HydrophobicContact CB-CG1 3.83Å; V86-V155 HydrophobicContact CG1-CG1 4.47Å; V86-V155 HydrophobicContact CG2-CG1 3.82Å; I88-V155 HydrophobicContact CD1-CG2 4.29Å; I88-V155 HydrophobicContact CG1-CG1 4.42Å; I88-V155 HydrophobicContact CG1-CG2 4.08Å; F139-V155 HydrophobicContact CD2-CB 4.47Å; F139-V155 HydrophobicContact CD2-CG1 4.2Å; F139-V155 HydrophobicContact CD2-CG2 3.97Å; F139-V155 HydrophobicContact CE1-CG1 4.39Å; F139-V155 HydrophobicContact CE2-CB 4.18Å; F139-V155 HydrophobicContact CE2-CG1 3.81Å; F139-V155 HydrophobicContact CE2-CG2 4.17Å; F139-V155 HydrophobicContact CZ-CG1 3.92Å
156I95.9Very high91.9Very high0 Ų034.1 Ų34.10%017%0.174CC..EExtended strand (participates in β ladder)trans-122.4134.2-175.1-50.8178.8000108.9D66 I67 V86 S87 Y89 A120 R123 C126 T154 D158D66-I156 WeakPolarHBondContact O-CA 3.32Å; I67-I156 HydrophobicContact CG1-CG1 4.3Å; V86-I156 CarbonylContact C-O 3.59Å; V86-I156 VanDerWaalsContact CA-O 3.23Å; V86-I156 WeakPolarHBondContact CA-O 3.39Å; V86-I156 WeakPolarHBondContact CB-O 3.48Å; S87-I156 PolarHBondContact N-O 3.16Å; S87-I156 PolarHBondContact O-N 2.85Å; Y89-I156 HydrophobicContact CD2-CD1 3.64Å; Y89-I156 HydrophobicContact CD2-CG1 4.01Å; Y89-I156 HydrophobicContact CE2-CB 4.31Å; Y89-I156 HydrophobicContact CE2-CD1 3.65Å; Y89-I156 HydrophobicContact CE2-CG1 4.11Å; Y89-I156 HydrophobicContact CG-CD1 4.49Å; A120-I156 HydrophobicContact CB-CD1 3.73Å; A120-I156 HydrophobicContact CB-CG1 4.39Å; A120-I156 HydrophobicContact CB-CG2 3.98Å; R123-I156 HydrophobicContact CB-CD1 4.41Å; R123-I156 HydrophobicContact CG-CD1 4.14Å; C126-I156 HydrophobicContact CB-CD1 4.49Å; T154-I156 HydrophobicContact CG2-CD1 4.48Å; T154-I156 HydrophobicContact CG2-CG1 4.12Å; I156-D158 PolarHBondContact O-N 3.26Å
157A96.2Very high92.2Very high0 Ų035.5 Ų35.50%018%0.181CC..EExtended strand (participates in β ladder)trans-73.1121.2172.800000110.7R62 E63 D65 D66 I68R62-A157 HydrophobicContact CB-CB 4.31Å; E63-A157 WeakPolarHBondContact O-CB 3.34Å; D65-A157 WeakPolarHBondContact CA-O 3.42Å; D65-A157 PolarHBondContact N-O 3.2Å; D66-A157 PolarHBondContact O-N 2.82Å; I68-A157 HydrophobicContact CD1-CB 4.19Å
158D94.6Very high92.8Very high37 Ų3731 Ų3120%0.19816%0.158CC..SBendtrans-82-22.8178.2-67.1-45.9000112.7T64 H85 V86 S87 R123 I156T64-D158 WeakPolarHBondContact CG2-O 3.5Å; H85-D158 HydrophobicContact CB-CB 4.39Å; H85-D158 IonicContact CE1-OD2 3.79Å; H85-D158 PolarHBondContact CE1-OD2 3.09Å; H85-D158 VanDerWaalsContact CE1-OD2 3.31Å; H85-D158 IonicContact CG-OD2 3.87Å; H85-D158 IonicContact ND1-OD2 3.9Å; H85-D158 PolarHBondContact ND1-OD2 3.23Å; H85-D158 WeakPolarHBondContact O-CB 3.42Å; H85-D158 PolarHBondContact O-N 3.26Å; V86-D158 VanDerWaalsContact C-OD2 3.24Å; S87-D158 WeakPolarHBondContact CB-OD2 3.49Å; S87-D158 PolarHBondContact N-OD2 2.84Å; S87-D158 VanDerWaalsContact OG-CG 3.26Å; S87-D158 PolarHBondContact OG-OD1 2.67Å; S87-D158 PolarHBondContact OG-OD2 3.06Å; R123-D158 IonicContact CZ-OD1 3.24Å; R123-D158 IonicContact NH1-OD1 2.7Å; R123-D158 PolarHBondContact NH1-OD1 3.32Å; R123-D158 IonicContact NH2-OD1 2.78Å; R123-D158 PolarHBondContact NH2-OD1 3.23Å; I156-D158 PolarHBondContact O-N 3.26Å
159C95.1Very high93.4Very high50 Ų5029 Ų2934%0.33816%0.157SC..SBendtrans-148.2177.9173.662.20000109.1T64 H85 T161T64-C159 WeakPolarHBondContact OG1-CA 3.31Å; H85-C159 PolarHBondContact N-SG 2.99Å; H85-C159 VanDerWaalsContact N-SG 3.37Å; C159-T161 PolarHBondContact O-N 3.48Å; C159-T161 PolarHBondContact O-OG1 3.32Å
160K95.5Very high93.6Very high97 Ų9729 Ų2942%0.42216%0.156SC..  trans-51.9117.6170.2-177.1172.1177.9155.30110.1E61 R62 T64E61-K160 WeakPolarHBondContact OE1-CE 3.31Å; E61-K160 IonicContact OE1-NZ 2.61Å; E61-K160 PolarHBondContact OE1-NZ 3.33Å; R62-K160 CarbonylContact O-C 3.56Å; R62-K160 WeakPolarHBondContact O-CA 3.11Å; T64-K160 PolarHBondContact OG1-N 2.54Å
161T96Very high93.7Very high0 Ų025.7 Ų25.70%014%0.139CC..EExtended strand (participates in β ladder)trans-127.3129.3-168.7-61.80000110R62 I81 S83 H85 V86 C159 L163R62-T161 PolarHBondContact N-O 2.87Å; R62-T161 PolarHBondContact O-N 3.47Å; I81-T161 HydrophobicContact CG2-CG2 4.14Å; S83-T161 CarbonylContact O-C 3.58Å; S83-T161 VanDerWaalsContact O-CA 3.31Å; S83-T161 WeakPolarHBondContact O-CA 3.44Å; S83-T161 VanDerWaalsContact O-CG2 3.32Å; S83-T161 WeakPolarHBondContact O-CG2 3.2Å; H85-T161 PolarHBondContact N-OG1 3.4Å; H85-T161 PolarHBondContact O-OG1 2.88Å; V86-T161 HydrophobicContact CG1-CG2 3.89Å; C159-T161 PolarHBondContact O-N 3.48Å; C159-T161 PolarHBondContact O-OG1 3.32Å; T161-L163 HydrophobicContact CG2-CD2 3.63Å; T161-L163 HydrophobicContact CG2-CG 4.07Å
162H95.3Very high93.7Very high29 Ų2927.8 Ų27.813%0.13415%0.151CC..EExtended strand (participates in β ladder)trans-101.3129.7172.5-62.9170.5000109.6Y9 F59 E61 L82 S83Y9-H162 AromaticContact CE1-ND1 3.94Å; Y9-H162 AromaticContact CZ-ND1 3.85Å; Y9-H162 WeakPolarHBondContact OH-CB 3.45Å; Y9-H162 PolarHBondContact OH-ND1 3.47Å; F59-H162 HydrophobicContact CE2-CB 3.75Å; F59-H162 AromaticContact CE2-CG 3.88Å; F59-H162 HydrophobicContact CZ-CB 3.96Å; F59-H162 AromaticContact CZ-CD2 3.87Å; F59-H162 AromaticContact CZ-CG 3.64Å; F59-H162 AromaticContact CZ-ND1 3.9Å; E61-H162 IonicContact OE1-NE2 3.38Å; L82-H162 HydrophobicContact CB-CB 4.19Å; L82-H162 WeakPolarHBondContact CB-O 3.26Å; L82-H162 PolarHBondContact N-O 2.8Å; S83-H162 PolarHBondContact N-O 2.87Å; S83-H162 PolarHBondContact O-N 2.58Å; S83-H162 WeakPolarHBondContact OG-CB 3.48Å; S83-H162 PolarHBondContact OG-ND1 2.79Å
163L95.1Very high93.7Very high0 Ų032.1 Ų32.10%017%0.165CC..EExtended strand (participates in β ladder)trans-122.5142.5-176-56.8172.3000110.3S60 R62 I68 Y79 I80 I81 F139 T161S60-L163 PolarHBondContact N-O 3.05Å; S60-L163 PolarHBondContact O-N 2.88Å; R62-L163 HydrophobicContact CG-CD1 3.95Å; I68-L163 HydrophobicContact CD1-CD1 3.89Å; I68-L163 HydrophobicContact CG1-CD1 4.33Å; I68-L163 HydrophobicContact CG2-CD1 3.83Å; Y79-L163 HydrophobicContact CD1-CB 4.41Å; Y79-L163 HydrophobicContact CD1-CD1 3.96Å; Y79-L163 HydrophobicContact CE1-CD1 4.49Å; I80-L163 CarbonylContact O-C 3.55Å; I80-L163 VanDerWaalsContact O-CA 3.29Å; I80-L163 WeakPolarHBondContact O-CA 3.2Å; I81-L163 HydrophobicContact CB-CD2 4.38Å; I81-L163 HydrophobicContact CG1-CD2 3.89Å; F139-L163 HydrophobicContact CE1-CD2 4.19Å; F139-L163 HydrophobicContact CZ-CD1 4.46Å; F139-L163 HydrophobicContact CZ-CD2 4.22Å; T161-L163 HydrophobicContact CG2-CD2 3.63Å; T161-L163 HydrophobicContact CG2-CG 4.07Å
164A93.4Very high93.5Very high0 Ų032 Ų320%016%0.163CC..EExtended strand (participates in β ladder)trans-94.9119.5158.300000108.5C57 E58 Y79 I80 L82C57-A164 HydrophobicContact CB-CB 4.33Å; E58-A164 CarbonylContact O-C 3.56Å; E58-A164 WeakPolarHBondContact O-CA 3.46Å; Y79-A164 WeakPolarHBondContact CA-O 3.29Å; I80-A164 HydrophobicContact CB-CB 4.3Å; I80-A164 PolarHBondContact N-O 3.28Å; I80-A164 PolarHBondContact O-N 3.47Å; L82-A164 HydrophobicContact CD1-CB 4.12Å; L82-A164 HydrophobicContact CD2-CB 4.05Å; L82-A164 HydrophobicContact CG-CB 4.12Å
165V95Very high93.2Very high17 Ų1731.7 Ų31.710%0.10316%0.161CC..EExtended strand (participates in β ladder)trans-96.7123.2179.8-170.70000108.5C57 E58 S60 C77 F78 Y79C57-V165 CarbonylContact C-O 3.51Å; C57-V165 VanDerWaalsContact CA-O 3.29Å; C57-V165 WeakPolarHBondContact CA-O 3.3Å; E58-V165 HydrophobicContact CB-CB 4.34Å; E58-V165 PolarHBondContact N-O 2.86Å; E58-V165 PolarHBondContact O-N 3.06Å; S60-V165 VanDerWaalsContact CB-CG2 3.5Å; C77-V165 HydrophobicContact CB-CG1 3.63Å; F78-V165 CarbonylContact O-C 3.56Å; Y79-V165 HydrophobicContact CD1-CB 4.42Å; Y79-V165 HydrophobicContact CD1-CG1 4.3Å; Y79-V165 HydrophobicContact CD1-CG2 3.82Å; Y79-V165 HydrophobicContact CE1-CB 4.35Å; Y79-V165 HydrophobicContact CE1-CG1 3.89Å; Y79-V165 HydrophobicContact CE1-CG2 3.71Å
166I93.5Very high93Very high0 Ų034 Ų340%017%0.171CC..EExtended strand (participates in β ladder)trans-110.7120.6-179.7-62.5162000107.3I53 C57 C77 F78 I80 T170I53-I166 HydrophobicContact CG2-CD1 3.46Å; I53-I166 VanDerWaalsContact CG2-CD1 3.46Å; I53-I166 HydrophobicContact CG2-CG1 3.95Å; C57-I166 HydrophobicContact CB-CG1 4.02Å; C77-I166 CarbonylContact C-O 3.47Å; C77-I166 WeakPolarHBondContact CA-O 3.27Å; F78-I166 HydrophobicContact CB-CB 4.34Å; F78-I166 HydrophobicContact CD1-CB 4.21Å; F78-I166 HydrophobicContact CD1-CD1 3.61Å; F78-I166 HydrophobicContact CD1-CG1 4.44Å; F78-I166 HydrophobicContact CE1-CD1 3.98Å; F78-I166 PolarHBondContact N-O 3.34Å; F78-I166 PolarHBondContact O-N 3.35Å; I80-I166 HydrophobicContact CD1-CD1 3.51Å; I80-I166 HydrophobicContact CG1-CD1 4Å; I166-T170 HydrophobicContact CG2-CG2 3.93Å
167N92.1Very high92.7Very high72 Ų7240 Ų4039%0.38520%0.203SC..EExtended strand (participates in β ladder)trans-68.9158.418067.99.7000112.1A169 T170 Y171N167-A169 VanDerWaalsContact C-N 3.26Å; N167-A169 PolarHBondContact O-N 3.28Å; N167-T170 PolarHBondContact O-N 3.39Å; N167-T170 VanDerWaalsContact O-N 3.16Å; N167-T170 WeakPolarHBondContact OD1-CB 3.35Å; N167-T170 PolarHBondContact OD1-N 2.76Å; N167-T170 PolarHBondContact OD1-OG1 2.78Å; N167-Y171 WeakPolarHBondContact O-CB 3.44Å; N167-Y171 PolarHBondContact O-N 3Å
168R91.5Very high92.3Very high97 Ų9743.1 Ų43.137%0.36622%0.221SC..Hα-helixtrans-51.2-42.3178.2-173.2167.2-172.6-173.82.4113.6D76 L144 C149 T170 Y171 N172D76-R168 WeakPolarHBondContact O-CA 3.4Å; D76-R168 VanDerWaalsContact O-CB 3.25Å; D76-R168 WeakPolarHBondContact O-CB 3.18Å; D76-R168 PolarHBondContact O-N 2.78Å; L144-R168 HydrophobicContact CD2-CB 4.21Å; L144-R168 HydrophobicContact CD2-CG 4.07Å; C149-R168 PolarHBondContact SG-NH2 3.43Å; R168-T170 PolarHBondContact O-N 2.59Å; R168-Y171 PolarHBondContact O-N 3.31Å; R168-N172 VanDerWaalsContact O-CB 3.25Å; R168-N172 WeakPolarHBondContact O-CB 3.33Å; R168-N172 PolarHBondContact O-N 3.19Å; R168-N172 PolarHBondContact O-ND2 2.68Å; R168-N172 PolarHBondContact O-OD1 3.18Å
169A91.6Very high92.1Very high60 Ų6042.6 Ų42.650%0.49622%0.218SC..Hα-helixtrans-64.5-40.2-177.900000112.5N167 R173N167-A169 VanDerWaalsContact C-N 3.26Å; N167-A169 PolarHBondContact O-N 3.28Å; A169-R173 PolarHBondContact O-N 3.14Å; A169-R173 PolarHBondContact O-NH1 2.86Å
170T91.8Very high91.9Very high1 Ų144.4 Ų44.41%0.00622%0.221CC..Hα-helixtrans-73.6-43.5176.3-55.40000111.1I53 N56 I166 N167 R168 N172 R173 S174I53-T170 HydrophobicContact CG1-CG2 4.35Å; N56-T170 HydrophobicContact CB-CG2 4.11Å; N56-T170 WeakPolarHBondContact CB-OG1 3.29Å; I166-T170 HydrophobicContact CG2-CG2 3.93Å; N167-T170 PolarHBondContact O-N 3.39Å; N167-T170 VanDerWaalsContact O-N 3.16Å; N167-T170 WeakPolarHBondContact OD1-CB 3.35Å; N167-T170 PolarHBondContact OD1-N 2.76Å; N167-T170 PolarHBondContact OD1-OG1 2.78Å; R168-T170 PolarHBondContact O-N 2.59Å; T170-N172 VanDerWaalsContact C-N 3.33Å; T170-N172 PolarHBondContact O-N 3.4Å; T170-R173 WeakPolarHBondContact O-CG 3.49Å; T170-R173 PolarHBondContact O-N 3.09Å; T170-R173 PolarHBondContact OG1-NH1 3.01Å; T170-R173 PolarHBondContact OG1-NH2 3.28Å; T170-S174 VanDerWaalsContact O-CB 3.23Å; T170-S174 WeakPolarHBondContact O-CB 3.33Å; T170-S174 PolarHBondContact O-N 3.35Å; T170-S174 PolarHBondContact O-OG 3.26Å
171Y92.2Very high91.7Very high0 Ų042 Ų420%022%0.219CC..Hα-helixtrans-58-45.8175.3179.2-89.4000112.3F78 E141 L144 I145 N167 R168 R173 S174 L175 K176 H179F78-Y171 HydrophobicContact CB-CD2 3.76Å; F78-Y171 HydrophobicContact CB-CE2 4.29Å; F78-Y171 HydrophobicContact CB-CG 4.47Å; F78-Y171 AromaticContact CD1-CD2 3.95Å; F78-Y171 HydrophobicContact CD1-CD2 3.95Å; F78-Y171 HydrophobicContact CD1-CE2 4.29Å; F78-Y171 HydrophobicContact CD2-CE2 4.31Å; F78-Y171 AromaticContact CG-CD2 3.86Å; F78-Y171 HydrophobicContact CG-CD2 3.86Å; F78-Y171 HydrophobicContact CG-CE2 4.06Å; E141-Y171 HydrophobicContact CB-CE2 4.07Å; E141-Y171 WeakPolarHBondContact CB-OH 3.37Å; L144-Y171 HydrophobicContact CB-CD1 3.46Å; L144-Y171 VanDerWaalsContact CB-CD1 3.46Å; L144-Y171 HydrophobicContact CB-CE1 3.41Å; L144-Y171 VanDerWaalsContact CB-CE1 3.41Å; L144-Y171 HydrophobicContact CB-CG 4.23Å; L144-Y171 HydrophobicContact CD1-CD1 3.48Å; L144-Y171 VanDerWaalsContact CD1-CD1 3.48Å; L144-Y171 HydrophobicContact CD1-CD2 3.82Å; L144-Y171 HydrophobicContact CD1-CE1 4.06Å; L144-Y171 HydrophobicContact CD1-CE2 4.35Å; L144-Y171 HydrophobicContact CD1-CG 3.35Å; L144-Y171 HydrophobicContact CG-CD1 4.12Å; L144-Y171 HydrophobicContact CG-CE1 4.38Å; L144-Y171 HydrophobicContact CG-CG 4.44Å; I145-Y171 WeakPolarHBondContact CG1-OH 2.99Å; N167-Y171 WeakPolarHBondContact O-CB 3.44Å; N167-Y171 PolarHBondContact O-N 3Å; R168-Y171 PolarHBondContact O-N 3.31Å; Y171-R173 PolarHBondContact O-N 2.81Å; Y171-S174 PolarHBondContact O-N 3.05Å; Y171-L175 HydrophobicContact CD2-CB 3.87Å; Y171-L175 HydrophobicContact CD2-CD1 4.04Å; Y171-L175 HydrophobicContact CE2-CB 3.8Å; Y171-L175 HydrophobicContact CE2-CD1 4.27Å; Y171-L175 HydrophobicContact CG-CB 4.49Å; Y171-L175 PolarHBondContact O-N 2.86Å; Y171-K176 HydrophobicContact CD1-CB 4.1Å; Y171-K176 HydrophobicContact CE1-CB 3.75Å; Y171-K176 HydrophobicContact CE1-CG 4.17Å; Y171-K176 PolarHBondContact O-N 2.94Å; Y171-H179 AromaticContact CE2-CE1 3.95Å; Y171-H179 AromaticContact CE2-ND1 3.52Å; Y171-H179 AromaticContact CZ-ND1 3.59Å; Y171-H179 WeakPolarHBondContact OH-CB 3.31Å; Y171-H179 PolarHBondContact OH-ND1 3.31Å
172N91.8Very high91.5Very high55 Ų5544.6 Ų44.629%0.29423%0.234SC..Hα-helixtrans-62.7-40-177.2-76.3-9.2000113.3R168 T170R168-N172 VanDerWaalsContact O-CB 3.25Å; R168-N172 WeakPolarHBondContact O-CB 3.33Å; R168-N172 PolarHBondContact O-N 3.19Å; R168-N172 PolarHBondContact O-ND2 2.68Å; R168-N172 PolarHBondContact O-OD1 3.18Å; T170-N172 VanDerWaalsContact C-N 3.33Å; T170-N172 PolarHBondContact O-N 3.4Å
173R90.4Very high91.4Very high127 Ų12744.2 Ų44.248%0.47923%0.231SC..Hα-helixtrans-81.5-17.2-179.372.4179.3178.9-97.8-0.9114.1D52 N56 A169 T170 Y171D52-R173 VanDerWaalsContact CG-NH2 3.33Å; D52-R173 IonicContact OD1-CZ 3.09Å; D52-R173 IonicContact OD1-NE 2.77Å; D52-R173 IonicContact OD1-NH2 3.95Å; D52-R173 PolarHBondContact OD1-NH2 2.82Å; D52-R173 IonicContact OD2-CZ 2.75Å; D52-R173 VanDerWaalsContact OD2-CZ 3.24Å; D52-R173 IonicContact OD2-NE 3.86Å; D52-R173 PolarHBondContact OD2-NE 2.96Å; D52-R173 IonicContact OD2-NH2 2.63Å; D52-R173 PolarHBondContact OD2-NH2 3.12Å; N56-R173 PolarHBondContact ND2-NH2 3.42Å; A169-R173 PolarHBondContact O-N 3.14Å; A169-R173 PolarHBondContact O-NH1 2.86Å; T170-R173 WeakPolarHBondContact O-CG 3.49Å; T170-R173 PolarHBondContact O-N 3.09Å; T170-R173 PolarHBondContact OG1-NH1 3.01Å; T170-R173 PolarHBondContact OG1-NH2 3.28Å; Y171-R173 PolarHBondContact O-N 2.81Å
174S87Confident91.3Very high19 Ų1950.2 Ų50.213%0.13326%0.258CS..Hα-helixtrans-116.5-39.2-168.3-630000114.2V49 D52 T170 Y171V49-S174 WeakPolarHBondContact CG1-O 3.38Å; D52-S174 PolarHBondContact OD2-OG 2.9Å; D52-S174 VanDerWaalsContact OD2-OG 3.13Å; T170-S174 VanDerWaalsContact O-CB 3.23Å; T170-S174 WeakPolarHBondContact O-CB 3.33Å; T170-S174 PolarHBondContact O-N 3.35Å; T170-S174 PolarHBondContact O-OG 3.26Å; Y171-S174 PolarHBondContact O-N 3.05Å
175L88.7Confident91.4Very high0 Ų055.2 Ų55.20%028%0.279CS..THydrogen-bonded Turntrans-123.9-24.1-168.5-63.9-178.4000114.6F41 L45 I53 F78 Y171 D177 V178 H179F41-L175 HydrophobicContact CE2-CD1 4.13Å; F41-L175 HydrophobicContact CE2-CD2 3.84Å; F41-L175 HydrophobicContact CZ-CD1 4.29Å; L45-L175 HydrophobicContact CD1-CD2 3.35Å; I53-L175 HydrophobicContact CD1-CD1 4Å; I53-L175 HydrophobicContact CD1-CD2 3.87Å; I53-L175 HydrophobicContact CD1-CG 3.93Å; F78-L175 HydrophobicContact CD1-CD1 4.1Å; F78-L175 HydrophobicContact CE1-CD1 3.77Å; Y171-L175 HydrophobicContact CD2-CB 3.87Å; Y171-L175 HydrophobicContact CD2-CD1 4.04Å; Y171-L175 HydrophobicContact CE2-CB 3.8Å; Y171-L175 HydrophobicContact CE2-CD1 4.27Å; Y171-L175 HydrophobicContact CG-CB 4.49Å; Y171-L175 PolarHBondContact O-N 2.86Å; L175-D177 PolarHBondContact O-N 3.32Å; L175-V178 PolarHBondContact O-N 3.15Å; L175-H179 PolarHBondContact O-N 2.9Å
176K90.3Very high91.4Very high53 Ų5356.6 Ų56.623%0.2328%0.283CS..Hα-helixtrans-57.6-49.6-169.9-177.8179.2179.4-177.50113Y171 V178 H179 E180Y171-K176 HydrophobicContact CD1-CB 4.1Å; Y171-K176 HydrophobicContact CE1-CB 3.75Å; Y171-K176 HydrophobicContact CE1-CG 4.17Å; Y171-K176 PolarHBondContact O-N 2.94Å; K176-V178 VanDerWaalsContact C-N 3.31Å; K176-V178 PolarHBondContact O-N 2.76Å; K176-H179 PolarHBondContact O-N 3.5Å; K176-E180 WeakPolarHBondContact CE-OE2 3.43Å; K176-E180 WeakPolarHBondContact O-CB 3.49Å; K176-E180 PolarHBondContact O-N 3.32Å
177D89.7Confident91.5Very high127 Ų12757.9 Ų57.968%0.67929%0.289SS*.Hα-helixtrans-62.2-39.4-175.3-64-18.3000112.1L175 A181L175-D177 PolarHBondContact O-N 3.32Å; D177-A181 VanDerWaalsContact O-CB 3.27Å; D177-A181 WeakPolarHBondContact O-CB 3.42Å; D177-A181 PolarHBondContact O-N 3.19Å
178V87.7Confident91.6Very high64 Ų6458.4 Ų58.439%0.38829%0.29SS..Hα-helixtrans-65.3-51.5177.2-179.80000110.2L45 L175 K176 E180 A181 D182L45-V178 HydrophobicContact CD2-CG2 4.19Å; L175-V178 PolarHBondContact O-N 3.15Å; K176-V178 VanDerWaalsContact C-N 3.31Å; K176-V178 PolarHBondContact O-N 2.76Å; V178-E180 PolarHBondContact O-N 3.12Å; V178-A181 PolarHBondContact O-N 3.43Å; V178-D182 PolarHBondContact O-N 3.37Å
179H90.1Very high91.8Very high26 Ų2655.2 Ų55.212%0.1228%0.278CS..Hα-helixtrans-66.4-37.3-179-70.1-178.7000112.8F41 I145 Y171 L175 K176 D182 F183F41-H179 AromaticContact CE2-NE2 3.9Å; I145-H179 HydrophobicContact CD1-CB 3.84Å; I145-H179 HydrophobicContact CG1-CB 4.39Å; Y171-H179 AromaticContact CE2-CE1 3.95Å; Y171-H179 AromaticContact CE2-ND1 3.52Å; Y171-H179 AromaticContact CZ-ND1 3.59Å; Y171-H179 WeakPolarHBondContact OH-CB 3.31Å; Y171-H179 PolarHBondContact OH-ND1 3.31Å; L175-H179 PolarHBondContact O-N 2.9Å; K176-H179 PolarHBondContact O-N 3.5Å; H179-D182 PolarHBondContact O-N 3.49Å; H179-F183 VanDerWaalsContact O-CB 3.3Å; H179-F183 WeakPolarHBondContact O-CB 3.43Å; H179-F183 PolarHBondContact O-N 2.87Å
180E91.7Very high92Very high88 Ų8852.3 Ų52.341%0.41126%0.255SS..Hα-helixtrans-66.1-44.4177.2-176170.1179.300110.9I145 K176 V178 D182 F183 K184I145-E180 HydrophobicContact CG2-CB 4.26Å; I145-E180 HydrophobicContact CG2-CG 4.23Å; K176-E180 WeakPolarHBondContact CE-OE2 3.43Å; K176-E180 WeakPolarHBondContact O-CB 3.49Å; K176-E180 PolarHBondContact O-N 3.32Å; V178-E180 PolarHBondContact O-N 3.12Å; E180-D182 PolarHBondContact O-N 3.19Å; E180-F183 PolarHBondContact O-N 3.49Å; E180-K184 WeakPolarHBondContact O-CB 3.35Å; E180-K184 PolarHBondContact O-N 3.34Å
181A91.5Very high92.1Very high46 Ų4655.4 Ų55.438%0.3827%0.271SS..Hα-helixtrans-60.4-4417500000112D177 V178 K184 K185D177-A181 VanDerWaalsContact O-CB 3.27Å; D177-A181 WeakPolarHBondContact O-CB 3.42Å; D177-A181 PolarHBondContact O-N 3.19Å; V178-A181 PolarHBondContact O-N 3.43Å; A181-K184 PolarHBondContact O-N 3.09Å; A181-K185 WeakPolarHBondContact O-CG 3.23Å; A181-K185 PolarHBondContact O-N 3.3Å
182D90.7Very high92.2Very high56 Ų5662.1 Ų62.130%0.29930%0.3SS..Hα-helixtrans-71.2-34.3178.9-72.6-17.2000112.9V178 H179 E180 K185 R186V178-D182 PolarHBondContact O-N 3.37Å; H179-D182 PolarHBondContact O-N 3.49Å; E180-D182 PolarHBondContact O-N 3.19Å; D182-K185 IonicContact OD1-NZ 3.06Å; D182-K185 PolarHBondContact OD1-NZ 2.86Å; D182-R186 WeakPolarHBondContact O-CG 3.48Å; D182-R186 PolarHBondContact O-N 2.98Å; D182-R186 PolarHBondContact O-NE 3.16Å
183F92.7Very high92.2Very high20 Ų2059.6 Ų59.69%0.08829%0.287CS..Hα-helixtrans-66.9-41172.2-171.9-115.9000111.7L142 H179 E180 K185 R186 I187 A208 M209L142-F183 HydrophobicContact CD2-CD2 4.16Å; L142-F183 HydrophobicContact CD2-CE2 4.07Å; L142-F183 HydrophobicContact CD2-CZ 4.42Å; H179-F183 VanDerWaalsContact O-CB 3.3Å; H179-F183 WeakPolarHBondContact O-CB 3.43Å; H179-F183 PolarHBondContact O-N 2.87Å; E180-F183 PolarHBondContact O-N 3.49Å; F183-K185 PolarHBondContact O-N 2.92Å; F183-R186 WeakPolarHBondContact O-CB 3.24Å; F183-R186 PolarHBondContact O-N 3.37Å; F183-I187 HydrophobicContact CD1-CG1 4.32Å; F183-I187 HydrophobicContact CE1-CD1 4.24Å; F183-I187 HydrophobicContact CE1-CG1 3.95Å; F183-I187 HydrophobicContact CE2-CD1 4.49Å; F183-I187 HydrophobicContact CE2-CG1 4.43Å; F183-I187 HydrophobicContact CZ-CD1 3.93Å; F183-I187 HydrophobicContact CZ-CG1 4.01Å; F183-I187 PolarHBondContact O-N 3.02Å; F183-A208 HydrophobicContact CE2-CB 4.02Å; F183-M209 HydrophobicContact CE2-CG 3.58Å; F183-M209 HydrophobicContact CZ-CG 4.02Å
184K94.5Very high92.1Very high127 Ų12755.4 Ų55.455%0.55228%0.276SS*.Hα-helixtrans-59.1-46.5175.6-173.2-177.3-179.6-171.90111.9E180 A181 R186 I187 E188E180-K184 WeakPolarHBondContact O-CB 3.35Å; E180-K184 PolarHBondContact O-N 3.34Å; A181-K184 PolarHBondContact O-N 3.09Å; K184-R186 VanDerWaalsContact C-N 3.27Å; K184-R186 PolarHBondContact O-N 3Å; K184-I187 PolarHBondContact O-N 3.47Å; K184-E188 WeakPolarHBondContact CE-OE1 3.5Å; K184-E188 HydrophobicContact CG-CG 4.49Å; K184-E188 WeakPolarHBondContact O-CG 3.47Å; K184-E188 PolarHBondContact O-N 3.47Å
185K94.9Very high92.3Very high105 Ų10554.6 Ų54.646%0.45727%0.27SS..Hα-helixtrans-56.1-41175.2-69.7170.9-164.6158.40112.3A181 D182 F183 F189A181-K185 WeakPolarHBondContact O-CG 3.23Å; A181-K185 PolarHBondContact O-N 3.3Å; D182-K185 IonicContact OD1-NZ 3.06Å; D182-K185 PolarHBondContact OD1-NZ 2.86Å; F183-K185 PolarHBondContact O-N 2.92Å; K185-F189 WeakPolarHBondContact O-CB 3.42Å; K185-F189 PolarHBondContact O-N 3.5Å
186R95.5Very high92.6Very high45 Ų4554.6 Ų54.617%0.1727%0.27CS..Hα-helixtrans-67.3-42.1178.6-72.1176.1-76.4171.2-4.1111.9D182 F183 K184 F189 I190 A208 L211 Y336D182-R186 WeakPolarHBondContact O-CG 3.48Å; D182-R186 PolarHBondContact O-N 2.98Å; D182-R186 PolarHBondContact O-NE 3.16Å; F183-R186 WeakPolarHBondContact O-CB 3.24Å; F183-R186 PolarHBondContact O-N 3.37Å; K184-R186 VanDerWaalsContact C-N 3.27Å; K184-R186 PolarHBondContact O-N 3Å; R186-F189 PolarHBondContact O-N 3.47Å; R186-I190 WeakPolarHBondContact O-CG1 3.33Å; R186-I190 PolarHBondContact O-N 3.05Å; R186-A208 HydrophobicContact CB-CB 4.13Å; R186-L211 HydrophobicContact CG-CB 4.46Å; R186-Y336 HydrophobicContact CG-CE1 3.71Å
187I94.8Very high92.6Very high28 Ų2856 Ų5614%0.14428%0.281CS..Hα-helixtrans-62.8-48.2174.4-67.8-73.1000111F183 K184 F189 I190 D191 K205 A208F183-I187 HydrophobicContact CD1-CG1 4.32Å; F183-I187 HydrophobicContact CE1-CD1 4.24Å; F183-I187 HydrophobicContact CE1-CG1 3.95Å; F183-I187 HydrophobicContact CE2-CD1 4.49Å; F183-I187 HydrophobicContact CE2-CG1 4.43Å; F183-I187 HydrophobicContact CZ-CD1 3.93Å; F183-I187 HydrophobicContact CZ-CG1 4.01Å; F183-I187 PolarHBondContact O-N 3.02Å; K184-I187 PolarHBondContact O-N 3.47Å; I187-F189 PolarHBondContact O-N 3.29Å; I187-I190 PolarHBondContact O-N 2.91Å; I187-I190 VanDerWaalsContact O-N 3.13Å; I187-D191 PolarHBondContact O-N 3.42Å; I187-K205 HydrophobicContact CD1-CB 4.48Å; I187-K205 HydrophobicContact CD1-CG 4.01Å; I187-A208 HydrophobicContact CD1-CB 3.46Å; I187-A208 VanDerWaalsContact CD1-CB 3.46Å; I187-A208 HydrophobicContact CG1-CB 3.97Å
188E95.5Very high92.5Very high83 Ų8353.6 Ų53.639%0.38829%0.286SS..Hα-helixtrans-59.3-36.3177.6-72.9178.6-167.400112.4K184 K192K184-E188 WeakPolarHBondContact CE-OE1 3.5Å; K184-E188 HydrophobicContact CG-CG 4.49Å; K184-E188 WeakPolarHBondContact O-CG 3.47Å; K184-E188 PolarHBondContact O-N 3.47Å; E188-K192 WeakPolarHBondContact O-CG 3.4Å; E188-K192 PolarHBondContact O-N 3.44Å
189F95.9Very high92.7Very high29 Ų2951 Ų5113%0.12727%0.269CS..Hα-helixtrans-66-48.3173.9172.7-96.7000112K185 R186 I187 D191 K192 C193 L211 F234 I236 Y336K185-F189 WeakPolarHBondContact O-CB 3.42Å; K185-F189 PolarHBondContact O-N 3.5Å; R186-F189 PolarHBondContact O-N 3.47Å; I187-F189 PolarHBondContact O-N 3.29Å; F189-D191 VanDerWaalsContact C-N 3.3Å; F189-D191 PolarHBondContact O-N 3.19Å; F189-K192 PolarHBondContact O-N 2.92Å; F189-C193 HydrophobicContact CZ-CB 4.46Å; F189-C193 WeakPolarHBondContact O-CB 3.4Å; F189-C193 PolarHBondContact O-N 3.35Å; F189-C193 VanDerWaalsContact O-N 3.12Å; F189-L211 HydrophobicContact CD1-CD1 3.8Å; F189-L211 HydrophobicContact CE1-CD1 4.21Å; F189-F234 HydrophobicContact CE1-CB 4.13Å; F189-F234 HydrophobicContact CE1-CD1 4.19Å; F189-F234 HydrophobicContact CE1-CD2 4.31Å; F189-F234 AromaticContact CE1-CG 3.96Å; F189-F234 HydrophobicContact CE1-CG 3.96Å; F189-F234 HydrophobicContact CE2-CB 4.42Å; F189-F234 HydrophobicContact CZ-CB 3.53Å; F189-F234 AromaticContact CZ-CD1 3.82Å; F189-F234 HydrophobicContact CZ-CD1 3.82Å; F189-F234 HydrophobicContact CZ-CD2 4.48Å; F189-F234 AromaticContact CZ-CG 3.7Å; F189-F234 HydrophobicContact CZ-CG 3.7Å; F189-I236 HydrophobicContact CD2-CG2 4.02Å; F189-I236 HydrophobicContact CE2-CG2 3.83Å; F189-Y336 HydrophobicContact CB-CD2 4.39Å; F189-Y336 HydrophobicContact CB-CE2 3.9Å; F189-Y336 AromaticContact CD1-CD2 3.64Å; F189-Y336 HydrophobicContact CD1-CD2 3.64Å; F189-Y336 HydrophobicContact CD1-CE2 4.01Å; F189-Y336 AromaticContact CD2-CD2 4Å; F189-Y336 HydrophobicContact CD2-CD2 4Å; F189-Y336 HydrophobicContact CD2-CE2 4.08Å; F189-Y336 AromaticContact CE1-CD2 3.9Å; F189-Y336 HydrophobicContact CE1-CD2 3.9Å; F189-Y336 HydrophobicContact CE2-CD2 4.24Å; F189-Y336 AromaticContact CG-CD2 3.71Å; F189-Y336 HydrophobicContact CG-CD2 3.71Å; F189-Y336 AromaticContact CG-CE2 3.69Å; F189-Y336 HydrophobicContact CG-CE2 3.69Å; F189-Y336 HydrophobicContact CZ-CD2 4.21Å
190I95.3Very high92.8Very high0 Ų052.3 Ų52.30%028%0.276CS..Hα-helixtrans-58-43.6177.4-70.7-65.9000110.8R186 I187 K192 C193 F196 K204 A207 A208 L211R186-I190 WeakPolarHBondContact O-CG1 3.33Å; R186-I190 PolarHBondContact O-N 3.05Å; I187-I190 PolarHBondContact O-N 2.91Å; I187-I190 VanDerWaalsContact O-N 3.13Å; I190-K192 VanDerWaalsContact C-N 3.31Å; I190-K192 PolarHBondContact O-N 3.21Å; I190-C193 PolarHBondContact O-N 3.39Å; I190-F196 HydrophobicContact CB-CD2 4.4Å; I190-F196 HydrophobicContact CD1-CD1 4.36Å; I190-F196 HydrophobicContact CD1-CD2 3.57Å; I190-F196 HydrophobicContact CD1-CE1 4.09Å; I190-F196 HydrophobicContact CD1-CE2 3.26Å; I190-F196 HydrophobicContact CD1-CG 4.12Å; I190-F196 HydrophobicContact CD1-CZ 3.54Å; I190-F196 HydrophobicContact CG2-CB 3.95Å; I190-F196 HydrophobicContact CG2-CD2 4.04Å; I190-F196 HydrophobicContact CG2-CG 3.98Å; I190-K204 HydrophobicContact CG2-CB 3.82Å; I190-K204 HydrophobicContact CG2-CD 4.29Å; I190-K204 HydrophobicContact CG2-CG 3.83Å; I190-A207 HydrophobicContact CD1-CB 3.91Å; I190-A208 HydrophobicContact CG1-CB 4.1Å; I190-L211 HydrophobicContact CD1-CD1 3.69Å; I190-L211 HydrophobicContact CD1-CG 4.34Å; I190-L211 HydrophobicContact CG1-CD1 3.92Å
191D94.3Very high92.8Very high65 Ų6551.9 Ų51.935%0.34827%0.274SS..Hα-helixtrans-67.6-29.1-178.7-79.2-30.6000113.8I187 F189 K204I187-D191 PolarHBondContact O-N 3.42Å; F189-D191 VanDerWaalsContact C-N 3.3Å; F189-D191 PolarHBondContact O-N 3.19Å; D191-K204 WeakPolarHBondContact OD1-CD 3.5Å; D191-K204 IonicContact OD1-NZ 2.65Å; D191-K204 PolarHBondContact OD1-NZ 3.39Å
192K92.4Very high92.6Very high141 Ų14149.9 Ų49.961%0.61326%0.257SS*.Hα-helixtrans-82.8-22.4176.7-71.9172.1-177.1170.10113.2E188 F189 I190 P194 Y720E188-K192 WeakPolarHBondContact O-CG 3.4Å; E188-K192 PolarHBondContact O-N 3.44Å; F189-K192 PolarHBondContact O-N 2.92Å; I190-K192 VanDerWaalsContact C-N 3.31Å; I190-K192 PolarHBondContact O-N 3.21Å; K192-P194 WeakPolarHBondContact O-CD 3.39Å; K192-Y720 PolarHBondContact O-OH 3.01Å
193C92.6Very high92.7Very high2 Ų247.2 Ų47.21%0.01424%0.243CC..  trans-83.3120.7-172.1177.60000111.8F189 I190 L195 F196 Y720F189-C193 HydrophobicContact CZ-CB 4.46Å; F189-C193 WeakPolarHBondContact O-CB 3.4Å; F189-C193 PolarHBondContact O-N 3.35Å; F189-C193 VanDerWaalsContact O-N 3.12Å; I190-C193 PolarHBondContact O-N 3.39Å; C193-L195 PolarHBondContact O-N 3.17Å; C193-F196 HydrophobicContact CB-CD2 3.8Å; C193-F196 HydrophobicContact CB-CE2 4.13Å; C193-F196 PolarHBondContact O-N 2.86Å; C193-F196 VanDerWaalsContact O-N 3.07Å; C193-Y720 HydrophobicContact CB-CE1 4.43Å
194P89Confident92.7Very high40 Ų4047.5 Ų47.526%0.2624%0.244SC..G310 helixtrans-59.3-23.2-175.7-27.836.1000115.7K192 F196 N197 Y720K192-P194 WeakPolarHBondContact O-CD 3.39Å; P194-F196 PolarHBondContact O-N 3.37Å; P194-N197 WeakPolarHBondContact O-CB 3.16Å; P194-N197 PolarHBondContact O-N 3.35Å; P194-Y720 HydrophobicContact CG-CD1 3.69Å; P194-Y720 HydrophobicContact CG-CD2 4.14Å; P194-Y720 HydrophobicContact CG-CE1 4.14Å; P194-Y720 HydrophobicContact CG-CG 3.66Å
195L91.6Very high92.5Very high2 Ų243.9 Ų43.91%0.0123%0.228CC..G310 helixtrans-62.5-27.8177.3178.964.6000112.7C193 W199 L232 F234 I310 F343 Q358 I359 I362C193-L195 PolarHBondContact O-N 3.17Å; L195-W199 PolarHBondContact O-NE1 2.87Å; L195-L232 HydrophobicContact CD2-CD1 3.52Å; L195-F234 HydrophobicContact CD2-CE1 3.93Å; L195-F234 HydrophobicContact CD2-CZ 3.9Å; L195-I310 HydrophobicContact CB-CD1 3.98Å; L195-I310 HydrophobicContact CD2-CD1 4.23Å; L195-F343 HydrophobicContact CD2-CE2 4.47Å; L195-Q358 PolarHBondContact O-OE1 3.48Å; L195-I359 HydrophobicContact CD1-CB 3.81Å; L195-I359 HydrophobicContact CD1-CD1 4.13Å; L195-I359 HydrophobicContact CD1-CG1 4.01Å; L195-I362 HydrophobicContact CB-CD1 4.17Å; L195-I362 HydrophobicContact CD1-CD1 3.92Å
196F93.3Very high92.4Very high0 Ų039.1 Ų39.10%021%0.208CC..G310 helixtrans-101.712.4-178.1-51.8-71.1000112.7I190 C193 P194 W199 K204 A207 F234 L338I190-F196 HydrophobicContact CB-CD2 4.4Å; I190-F196 HydrophobicContact CD1-CD1 4.36Å; I190-F196 HydrophobicContact CD1-CD2 3.57Å; I190-F196 HydrophobicContact CD1-CE1 4.09Å; I190-F196 HydrophobicContact CD1-CE2 3.26Å; I190-F196 HydrophobicContact CD1-CG 4.12Å; I190-F196 HydrophobicContact CD1-CZ 3.54Å; I190-F196 HydrophobicContact CG2-CB 3.95Å; I190-F196 HydrophobicContact CG2-CD2 4.04Å; I190-F196 HydrophobicContact CG2-CG 3.98Å; C193-F196 HydrophobicContact CB-CD2 3.8Å; C193-F196 HydrophobicContact CB-CE2 4.13Å; C193-F196 PolarHBondContact O-N 2.86Å; C193-F196 VanDerWaalsContact O-N 3.07Å; P194-F196 PolarHBondContact O-N 3.37Å; F196-W199 HydrophobicContact CB-CD2 4.47Å; F196-W199 HydrophobicContact CB-CG 4.36Å; F196-W199 AromaticContact CD1-CD2 4Å; F196-W199 HydrophobicContact CD1-CD2 4Å; F196-W199 AromaticContact CD1-CE2 3.9Å; F196-W199 AromaticContact CD1-CE3 3.99Å; F196-W199 HydrophobicContact CD1-CE3 3.99Å; F196-W199 AromaticContact CD1-CH2 3.91Å; F196-W199 HydrophobicContact CD1-CH2 3.91Å; F196-W199 AromaticContact CD1-CZ2 3.86Å; F196-W199 HydrophobicContact CD1-CZ2 3.86Å; F196-W199 AromaticContact CD1-CZ3 3.95Å; F196-W199 HydrophobicContact CD1-CZ3 3.95Å; F196-W199 HydrophobicContact CE1-CH2 4.01Å; F196-W199 HydrophobicContact CE1-CZ2 4.24Å; F196-W199 HydrophobicContact CE1-CZ3 4.25Å; F196-W199 WeakPolarHBondContact O-CB 3.31Å; F196-W199 PolarHBondContact O-N 3.3Å; F196-K204 WeakPolarHBondContact O-CE 3.41Å; F196-A207 HydrophobicContact CE1-CB 4.28Å; F196-F234 HydrophobicContact CE2-CE1 4.15Å; F196-F234 HydrophobicContact CE2-CZ 4.01Å; F196-F234 HydrophobicContact CZ-CE1 4.3Å; F196-F234 HydrophobicContact CZ-CE2 4.41Å; F196-F234 AromaticContact CZ-CZ 3.72Å; F196-F234 HydrophobicContact CZ-CZ 3.72Å; F196-L338 HydrophobicContact CE1-CD2 4.33Å; F196-L338 HydrophobicContact CZ-CD2 4.23Å
197N90.3Very high92.3Very high83 Ų8337 Ų3744%0.44420%0.2SC..THydrogen-bonded Turntrans-65.4137.3177.3-78-10.7000110.6P194 W199 Q358P194-N197 WeakPolarHBondContact O-CB 3.16Å; P194-N197 PolarHBondContact O-N 3.35Å; N197-W199 PolarHBondContact O-N 3.47Å; N197-Q358 VanDerWaalsContact O-CD 3.25Å; N197-Q358 PolarHBondContact O-NE2 3.45Å; N197-Q358 PolarHBondContact O-OE1 3.09Å
198G88.1Confident92.2Very high76 Ų7635.7 Ų35.778%0.78419%0.193SC*.THydrogen-bonded Turntrans74.2-3-177.300000115.2
199W92.5Very high91.9Very high10 Ų1034.1 Ų34.14%0.03819%0.186CC..  trans-69.8137.3170.1-69.640000109.7L195 F196 N197 L203 K204 A207 L346 I347 N352L195-W199 PolarHBondContact O-NE1 2.87Å; F196-W199 HydrophobicContact CB-CD2 4.47Å; F196-W199 HydrophobicContact CB-CG 4.36Å; F196-W199 AromaticContact CD1-CD2 4Å; F196-W199 HydrophobicContact CD1-CD2 4Å; F196-W199 AromaticContact CD1-CE2 3.9Å; F196-W199 AromaticContact CD1-CE3 3.99Å; F196-W199 HydrophobicContact CD1-CE3 3.99Å; F196-W199 AromaticContact CD1-CH2 3.91Å; F196-W199 HydrophobicContact CD1-CH2 3.91Å; F196-W199 AromaticContact CD1-CZ2 3.86Å; F196-W199 HydrophobicContact CD1-CZ2 3.86Å; F196-W199 AromaticContact CD1-CZ3 3.95Å; F196-W199 HydrophobicContact CD1-CZ3 3.95Å; F196-W199 HydrophobicContact CE1-CH2 4.01Å; F196-W199 HydrophobicContact CE1-CZ2 4.24Å; F196-W199 HydrophobicContact CE1-CZ3 4.25Å; F196-W199 WeakPolarHBondContact O-CB 3.31Å; F196-W199 PolarHBondContact O-N 3.3Å; N197-W199 PolarHBondContact O-N 3.47Å; W199-L203 HydrophobicContact CE3-CB 3.98Å; W199-K204 HydrophobicContact CB-CG 3.85Å; W199-K204 WeakPolarHBondContact O-CE 3.44Å; W199-A207 HydrophobicContact CZ3-CB 4.4Å; W199-L346 HydrophobicContact CH2-CB 3.95Å; W199-L346 HydrophobicContact CZ3-CB 3.78Å; W199-L346 HydrophobicContact CZ3-CD1 4.35Å; W199-I347 HydrophobicContact CH2-CD1 4.19Å; W199-I347 HydrophobicContact CZ2-CD1 3.53Å; W199-N352 WeakPolarHBondContact CZ2-ND2 3.34Å
200I92.2Very high91.7Very high53 Ų5333.4 Ų33.427%0.27219%0.185SC..  trans-63.6153.6173.161.8-179.3000111.5S202 L203 K204 R351I200-S202 VanDerWaalsContact C-N 3.33Å; I200-S202 WeakPolarHBondContact CD1-OG 3.2Å; I200-S202 PolarHBondContact O-N 3.05Å; I200-L203 HydrophobicContact CD1-CD1 3.98Å; I200-L203 HydrophobicContact CD1-CG 3.85Å; I200-L203 HydrophobicContact CG1-CB 3.87Å; I200-L203 HydrophobicContact CG1-CD1 3.72Å; I200-L203 HydrophobicContact CG1-CG 3.55Å; I200-L203 PolarHBondContact O-N 3.41Å; I200-L203 VanDerWaalsContact O-N 3.09Å; I200-K204 PolarHBondContact O-N 2.9Å; I200-R351 HydrophobicContact CD1-CB 3.89Å; I200-R351 VanDerWaalsContact CD1-NE 3.3Å
201Q90.4Very high91.6Very high78 Ų7833.6 Ų33.636%0.36419%0.186SC..Hα-helixtrans-65-34.5-170.2-168.463.3-6.300113.4L203 K204 K205Q201-L203 PolarHBondContact O-N 2.91Å; Q201-K204 PolarHBondContact O-N 3.07Å; Q201-K205 WeakPolarHBondContact O-CG 3.5Å; Q201-K205 PolarHBondContact O-N 3.1Å
202S88.9Confident91.5Very high4 Ų434.6 Ų34.63%0.02819%0.194CC..Hα-helixtrans-61.8-40.717456.30000112.7D97 I200 K205 Q206 R351D97-S202 WeakPolarHBondContact OD1-CB 3.5Å; D97-S202 PolarHBondContact OD1-N 3.08Å; D97-S202 PolarHBondContact OD1-OG 3.46Å; I200-S202 VanDerWaalsContact C-N 3.33Å; I200-S202 WeakPolarHBondContact CD1-OG 3.2Å; I200-S202 PolarHBondContact O-N 3.05Å; S202-K205 PolarHBondContact O-N 3.14Å; S202-Q206 WeakPolarHBondContact O-CG 3.49Å; S202-Q206 PolarHBondContact O-N 3.46Å; S202-R351 PolarHBondContact OG-NH1 3.46Å; S202-R351 PolarHBondContact OG-NH2 2.96Å
203L91.3Very high91.6Very high0 Ų032.4 Ų32.40%019%0.186CC..Hα-helixtrans-70-38.5176.2-69.2-178.5000112T92 W199 I200 Q201 K205 Q206 A207 L346 R351 N352T92-L203 HydrophobicContact CG2-CD2 3.52Å; W199-L203 HydrophobicContact CE3-CB 3.98Å; I200-L203 HydrophobicContact CD1-CD1 3.98Å; I200-L203 HydrophobicContact CD1-CG 3.85Å; I200-L203 HydrophobicContact CG1-CB 3.87Å; I200-L203 HydrophobicContact CG1-CD1 3.72Å; I200-L203 HydrophobicContact CG1-CG 3.55Å; I200-L203 PolarHBondContact O-N 3.41Å; I200-L203 VanDerWaalsContact O-N 3.09Å; Q201-L203 PolarHBondContact O-N 2.91Å; L203-K205 VanDerWaalsContact C-N 3.34Å; L203-K205 PolarHBondContact O-N 3.39Å; L203-Q206 WeakPolarHBondContact O-CB 3.38Å; L203-Q206 PolarHBondContact O-N 3.23Å; L203-Q206 VanDerWaalsContact O-N 3.16Å; L203-A207 PolarHBondContact O-N 3.35Å; L203-L346 HydrophobicContact CD2-CD2 3.93Å; L203-R351 HydrophobicContact CD1-CB 4.2Å; L203-N352 HydrophobicContact CD1-CB 3.84Å
204K93.5Very high91.7Very high27 Ų2734.3 Ų34.312%0.11720%0.198CC..Hα-helixtrans-60.4-43.5173.2-73.4-179.8162.8-163.60111.8I190 D191 F196 W199 I200 Q201 Q206 A207 A208I190-K204 HydrophobicContact CG2-CB 3.82Å; I190-K204 HydrophobicContact CG2-CD 4.29Å; I190-K204 HydrophobicContact CG2-CG 3.83Å; D191-K204 WeakPolarHBondContact OD1-CD 3.5Å; D191-K204 IonicContact OD1-NZ 2.65Å; D191-K204 PolarHBondContact OD1-NZ 3.39Å; F196-K204 WeakPolarHBondContact O-CE 3.41Å; W199-K204 HydrophobicContact CB-CG 3.85Å; W199-K204 WeakPolarHBondContact O-CE 3.44Å; I200-K204 PolarHBondContact O-N 2.9Å; Q201-K204 PolarHBondContact O-N 3.07Å; K204-Q206 VanDerWaalsContact C-N 3.34Å; K204-Q206 PolarHBondContact O-N 3.4Å; K204-A207 WeakPolarHBondContact O-CB 3.22Å; K204-A207 PolarHBondContact O-N 3Å; K204-A208 WeakPolarHBondContact O-CB 3.22Å; K204-A208 PolarHBondContact O-N 3.3Å
205K91.2Very high91.9Very high50 Ų5037.1 Ų37.122%0.21721%0.211CC..Hα-helixtrans-58.8-45171.8-73.2-177.8-176.5-176.50111.2D98 I187 Q201 S202 L203 A207 A208 M209D98-K205 IonicContact OD1-NZ 2.82Å; D98-K205 PolarHBondContact OD1-NZ 3.42Å; D98-K205 VanDerWaalsContact OD2-CE 3.26Å; D98-K205 WeakPolarHBondContact OD2-CE 3.38Å; D98-K205 IonicContact OD2-NZ 3.83Å; D98-K205 PolarHBondContact OD2-NZ 3.03Å; I187-K205 HydrophobicContact CD1-CB 4.48Å; I187-K205 HydrophobicContact CD1-CG 4.01Å; Q201-K205 WeakPolarHBondContact O-CG 3.5Å; Q201-K205 PolarHBondContact O-N 3.1Å; S202-K205 PolarHBondContact O-N 3.14Å; L203-K205 VanDerWaalsContact C-N 3.34Å; L203-K205 PolarHBondContact O-N 3.39Å; K205-A207 PolarHBondContact O-N 3.15Å; K205-A208 PolarHBondContact O-N 3.26Å; K205-M209 VanDerWaalsContact O-CG 3.24Å; K205-M209 WeakPolarHBondContact O-CG 3.01Å; K205-M209 PolarHBondContact O-N 3.02Å
206Q91.2Very high92.2Very high6 Ų638.9 Ų38.93%0.02822%0.218CC..Hα-helixtrans-60.9-42.2175.4-70-177.122.400113.2T92 S202 L203 K204 M209 S210 L346T92-Q206 PolarHBondContact OG1-OE1 2.84Å; S202-Q206 WeakPolarHBondContact O-CG 3.49Å; S202-Q206 PolarHBondContact O-N 3.46Å; L203-Q206 WeakPolarHBondContact O-CB 3.38Å; L203-Q206 PolarHBondContact O-N 3.23Å; L203-Q206 VanDerWaalsContact O-N 3.16Å; K204-Q206 VanDerWaalsContact C-N 3.34Å; K204-Q206 PolarHBondContact O-N 3.4Å; Q206-M209 VanDerWaalsContact CA-CE 3.48Å; Q206-M209 HydrophobicContact CB-CE 4.12Å; Q206-M209 HydrophobicContact CG-CE 3.71Å; Q206-M209 PolarHBondContact O-N 2.95Å; Q206-S210 PolarHBondContact O-N 3.48Å; Q206-S210 PolarHBondContact O-OG 2.75Å; Q206-L346 HydrophobicContact CB-CD2 3.69Å; Q206-L346 VanDerWaalsContact OE1-CD2 3.28Å
207A93.1Very high92.4Very high0 Ų042.9 Ų42.90%024%0.244CC..Hα-helixtrans-59.6-50.1174.500000110.6I190 F196 W199 L203 K204 K205 M209 S210 L211 L346I190-A207 HydrophobicContact CD1-CB 3.91Å; F196-A207 HydrophobicContact CE1-CB 4.28Å; W199-A207 HydrophobicContact CZ3-CB 4.4Å; L203-A207 PolarHBondContact O-N 3.35Å; K204-A207 WeakPolarHBondContact O-CB 3.22Å; K204-A207 PolarHBondContact O-N 3Å; K205-A207 PolarHBondContact O-N 3.15Å; A207-M209 VanDerWaalsContact C-N 3.33Å; A207-M209 PolarHBondContact O-N 3.07Å; A207-S210 CarbonylContact O-C 3.55Å; A207-S210 PolarHBondContact O-N 3.46Å; A207-S210 PolarHBondContact O-OG 2.9Å; A207-L211 PolarHBondContact O-N 3.44Å; A207-L211 VanDerWaalsContact O-N 3.15Å; A207-L346 HydrophobicContact CB-CD1 4Å
208A93.8Very high92.7Very high0 Ų044.8 Ų44.80%025%0.249CC..Hα-helixtrans-59.3-39.2178.200000113.1F183 R186 I187 I190 K204 K205 S210 L211F183-A208 HydrophobicContact CE2-CB 4.02Å; R186-A208 HydrophobicContact CB-CB 4.13Å; I187-A208 HydrophobicContact CD1-CB 3.46Å; I187-A208 VanDerWaalsContact CD1-CB 3.46Å; I187-A208 HydrophobicContact CG1-CB 3.97Å; I190-A208 HydrophobicContact CG1-CB 4.1Å; K204-A208 WeakPolarHBondContact O-CB 3.22Å; K204-A208 PolarHBondContact O-N 3.3Å; K205-A208 PolarHBondContact O-N 3.26Å; A208-S210 PolarHBondContact O-N 3.19Å; A208-L211 PolarHBondContact O-N 3.18Å
209M89.5Confident93Very high50 Ų5047.7 Ų47.725%0.24624%0.242CC..Hα-helixtrans-63.5-30.1175.2-69.9-176.5-57.400112.5L142 N152 F183 K205 Q206 A207L142-M209 HydrophobicContact CD1-CB 4.21Å; L142-M209 HydrophobicContact CD1-CG 3.69Å; L142-M209 HydrophobicContact CD1-SD 3.3Å; L142-M209 WeakPolarHBondContact CD1-SD 3.43Å; L142-M209 HydrophobicContact CD2-CG 3.77Å; L142-M209 HydrophobicContact CD2-SD 3.94Å; L142-M209 HydrophobicContact CG-CG 4.37Å; L142-M209 HydrophobicContact CG-SD 4.11Å; N152-M209 HydrophobicContact CB-CE 4.27Å; N152-M209 HydrophobicContact CB-SD 4.35Å; N152-M209 PolarHBondContact ND2-SD 3.41Å; N152-M209 VanDerWaalsContact ND2-SD 3.4Å; F183-M209 HydrophobicContact CE2-CG 3.58Å; F183-M209 HydrophobicContact CZ-CG 4.02Å; K205-M209 VanDerWaalsContact O-CG 3.24Å; K205-M209 WeakPolarHBondContact O-CG 3.01Å; K205-M209 PolarHBondContact O-N 3.02Å; Q206-M209 VanDerWaalsContact CA-CE 3.48Å; Q206-M209 HydrophobicContact CB-CE 4.12Å; Q206-M209 HydrophobicContact CG-CE 3.71Å; Q206-M209 PolarHBondContact O-N 2.95Å; A207-M209 VanDerWaalsContact C-N 3.33Å; A207-M209 PolarHBondContact O-N 3.07Å
210S91Very high93.2Very high15 Ų1548.2 Ų48.211%0.10525%0.248CC..Hα-helixtrans-92-4.7-179.261.40000115.2Q206 A207 A208 L338Q206-S210 PolarHBondContact O-N 3.48Å; Q206-S210 PolarHBondContact O-OG 2.75Å; A207-S210 CarbonylContact O-C 3.55Å; A207-S210 PolarHBondContact O-N 3.46Å; A207-S210 PolarHBondContact O-OG 2.9Å; A208-S210 PolarHBondContact O-N 3.19Å; S210-L338 WeakPolarHBondContact OG-CD1 3.43Å
211L94.2Very high93.4Very high4 Ų449.6 Ų49.62%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-75.9127.5175.1-70.8-176.3000110.8R186 F189 I190 A207 A208 F234 Y336 L338R186-L211 HydrophobicContact CG-CB 4.46Å; F189-L211 HydrophobicContact CD1-CD1 3.8Å; F189-L211 HydrophobicContact CE1-CD1 4.21Å; I190-L211 HydrophobicContact CD1-CD1 3.69Å; I190-L211 HydrophobicContact CD1-CG 4.34Å; I190-L211 HydrophobicContact CG1-CD1 3.92Å; A207-L211 PolarHBondContact O-N 3.44Å; A207-L211 VanDerWaalsContact O-N 3.15Å; A208-L211 PolarHBondContact O-N 3.18Å; L211-F234 HydrophobicContact CD2-CD2 4.44Å; L211-F234 HydrophobicContact CD2-CE2 4.28Å; L211-Y336 HydrophobicContact CB-CD1 4.15Å; L211-Y336 HydrophobicContact CD1-CD1 4.46Å; L211-Y336 HydrophobicContact CD1-CD2 4.46Å; L211-Y336 HydrophobicContact CD1-CG 4.22Å; L211-L338 HydrophobicContact CD2-CB 3.77Å; L211-L338 HydrophobicContact CD2-CD1 4.16Å; L211-L338 HydrophobicContact CD2-CG 4.42Å
212V92Very high93.7Very high86 Ų8646.7 Ų46.752%0.52124%0.244SC..EExtended strand (participates in β ladder)trans-108.9120.9172.5-179.60000108.6Y336 I337V212-Y336 WeakPolarHBondContact O-CA 3.29Å; V212-I337 PolarHBondContact N-O 3.48Å; V212-I337 PolarHBondContact O-N 3.16Å
213Q93.4Very high94Very high94 Ų9447 Ų4744%0.43925%0.245SC..EExtended strand (participates in β ladder)trans-73.8132.8171.2-169.8174.8-27.700109.1I236 T335 Y336Q213-I236 HydrophobicContact CG-CD1 4.37Å; Q213-T335 CarbonylContact C-O 3.54Å; Q213-T335 WeakPolarHBondContact CA-O 3.4Å; Q213-Y336 HydrophobicContact CB-CD1 3.96Å; Q213-Y336 HydrophobicContact CB-CE1 3.73Å; Q213-Y336 HydrophobicContact CG-CD1 4.43Å; Q213-Y336 HydrophobicContact CG-CE1 4.16Å
214T94.2Very high94.3Very high43 Ų4353 Ų5326%0.26427%0.268SS..EExtended strand (participates in β ladder)trans-143.1126.9179.3-57.20000110F216 T335 I337T214-F216 HydrophobicContact CG2-CD2 4.15Å; T214-F216 HydrophobicContact CG2-CE2 3.54Å; T214-F216 HydrophobicContact CG2-CZ 3.77Å; T214-T335 PolarHBondContact N-O 3.44Å; T214-T335 PolarHBondContact O-N 3.36Å; T214-T335 PolarHBondContact O-OG1 2.94Å; T214-I337 HydrophobicContact CG2-CD1 4.3Å
215D95.2Very high94.3Very high98 Ų9851.9 Ų51.952%0.52426%0.263SS..EExtended strand (participates in β ladder)trans-95.8132.3177.1-60.1-47.2000110.3S334D215-S334 WeakPolarHBondContact OD1-CB 3.21Å; D215-S334 PolarHBondContact OD1-OG 3.26Å
216F97.2Very high94.5Very high39 Ų3953.1 Ų53.117%0.17127%0.27CS..EExtended strand (participates in β ladder)trans-116.1128.4-179-71-90.6000109.8T214 A220 L222 S332 T333 T335 I337T214-F216 HydrophobicContact CG2-CD2 4.15Å; T214-F216 HydrophobicContact CG2-CE2 3.54Å; T214-F216 HydrophobicContact CG2-CZ 3.77Å; F216-A220 HydrophobicContact CB-CB 4.08Å; F216-A220 HydrophobicContact CD1-CB 4.1Å; F216-L222 HydrophobicContact CB-CD2 4.01Å; F216-L222 HydrophobicContact CD1-CD2 4.01Å; F216-L222 HydrophobicContact CD2-CD2 3.47Å; F216-L222 VanDerWaalsContact CD2-CD2 3.47Å; F216-L222 HydrophobicContact CE1-CD2 4.34Å; F216-L222 HydrophobicContact CE2-CD2 3.85Å; F216-L222 HydrophobicContact CG-CD2 3.55Å; F216-L222 HydrophobicContact CZ-CD2 4.26Å; F216-S332 CarbonylContact O-C 3.52Å; F216-S332 WeakPolarHBondContact O-CA 3.46Å; F216-T333 PolarHBondContact N-O 3.44Å; F216-T333 PolarHBondContact O-N 2.83Å; F216-T335 HydrophobicContact CD2-CG2 4.02Å; F216-T335 HydrophobicContact CE2-CG2 4.24Å; F216-T335 VanDerWaalsContact CE2-OG1 3.28Å; F216-T335 WeakPolarHBondContact CE2-OG1 3.33Å; F216-I337 HydrophobicContact CE2-CD1 4.21Å; F216-I337 HydrophobicContact CZ-CD1 4.1Å
217P97.5Very high94.7Very high84 Ų8456.9 Ų56.955%0.54529%0.287SS..  trans-72.3171176.430.8-34.7000111.7A220 C329P217-A220 HydrophobicContact CG-CB 4.09Å; P217-A220 WeakPolarHBondContact O-CB 3.19Å; P217-A220 PolarHBondContact O-N 2.89Å; P217-C329 WeakPolarHBondContact O-CB 3.32Å
218F96.8Very high94.8Very high123 Ų12360.5 Ų60.554%0.53931%0.31SS..THydrogen-bonded Turntrans-50.7142.2170.9177.8-107.6000111.6A220 I330F218-A220 PolarHBondContact O-N 3.36Å; F218-A220 VanDerWaalsContact O-N 3.12Å; F218-I330 VanDerWaalsContact CD2-C 3.43Å; F218-I330 WeakPolarHBondContact CD2-O 3.33Å; F218-I330 WeakPolarHBondContact CE2-O 3.18Å
219E94.9Very high94.8Very high137 Ų13761.7 Ų61.764%0.6432%0.318SS*.THydrogen-bonded Turntrans63.14.4-177-77.1179.9169.700116.5C329E219-C329 WeakPolarHBondContact CA-O 3.02Å; E219-C329 PolarHBondContact N-O 2.75Å
220A96.7Very high94.9Very high21 Ų2164.8 Ų64.817%0.17434%0.335CS..  trans-70.5142.4172.300000111.8F216 P217 F218 C329F216-A220 HydrophobicContact CB-CB 4.08Å; F216-A220 HydrophobicContact CD1-CB 4.1Å; P217-A220 HydrophobicContact CG-CB 4.09Å; P217-A220 WeakPolarHBondContact O-CB 3.19Å; P217-A220 PolarHBondContact O-N 2.89Å; F218-A220 PolarHBondContact O-N 3.36Å; F218-A220 VanDerWaalsContact O-N 3.12Å; A220-C329 PolarHBondContact O-N 3.15Å; A220-C329 PolarHBondContact O-SG 2.91Å
221N95.9Very high95.1Very high83 Ų8364.1 Ų64.144%0.44433%0.331SS..EExtended strand (participates in β ladder)trans-81.3124.6174.3-62.1-68.1000109.8I328N221-I328 WeakPolarHBondContact OD1-CG1 3.21Å
222L95.8Very high95.2Very high17 Ų1764 Ų649%0.08933%0.33CS..EExtended strand (participates in β ladder)trans-80-47.5170.7-64.8-179.7000110.8F216 I235 A240 L311 A327 C329 T333 T335F216-L222 HydrophobicContact CB-CD2 4.01Å; F216-L222 HydrophobicContact CD1-CD2 4.01Å; F216-L222 HydrophobicContact CD2-CD2 3.47Å; F216-L222 VanDerWaalsContact CD2-CD2 3.47Å; F216-L222 HydrophobicContact CE1-CD2 4.34Å; F216-L222 HydrophobicContact CE2-CD2 3.85Å; F216-L222 HydrophobicContact CG-CD2 3.55Å; F216-L222 HydrophobicContact CZ-CD2 4.26Å; L222-I235 HydrophobicContact CD1-CD1 4.03Å; L222-I235 HydrophobicContact CD1-CG1 4.24Å; L222-A240 HydrophobicContact CD1-CB 3.63Å; L222-L311 HydrophobicContact CB-CD1 3.84Å; L222-L311 HydrophobicContact CD1-CD1 3.88Å; L222-A327 HydrophobicContact CB-CB 4.29Å; L222-A327 PolarHBondContact N-O 3.23Å; L222-C329 VanDerWaalsContact CD2-SG 3.58Å; L222-T333 HydrophobicContact CD1-CG2 4.4Å; L222-T335 HydrophobicContact CD2-CG2 3.93Å
223V96.6Very high95.4Very high10 Ų1060.3 Ų60.36%0.06131%0.308CS..EExtended strand (participates in β ladder)trans-144.7151.9173.1-60.30000108.4V233 L311 Y323 T326 A327V223-V233 HydrophobicContact CG1-CG2 4.3Å; V223-L311 HydrophobicContact CG1-CB 4.27Å; V223-L311 HydrophobicContact CG1-CD1 4.34Å; V223-L311 HydrophobicContact CG2-CD1 4.18Å; V223-Y323 HydrophobicContact CB-CD1 4.07Å; V223-Y323 HydrophobicContact CB-CD2 4.09Å; V223-Y323 HydrophobicContact CB-CE1 4.21Å; V223-Y323 HydrophobicContact CB-CE2 4.22Å; V223-Y323 HydrophobicContact CB-CG 4.02Å; V223-Y323 HydrophobicContact CG1-CD1 4.14Å; V223-Y323 HydrophobicContact CG1-CD2 4.44Å; V223-Y323 HydrophobicContact CG1-CE1 3.77Å; V223-Y323 HydrophobicContact CG1-CE2 4.1Å; V223-Y323 HydrophobicContact CG1-CG 4.47Å; V223-Y323 HydrophobicContact CG2-CD1 4.36Å; V223-T326 CarbonylContact O-C 3.57Å; V223-T326 WeakPolarHBondContact O-CA 3.47Å; V223-A327 HydrophobicContact CG2-CB 3.89Å; V223-A327 PolarHBondContact O-N 3.03Å
224R96.2Very high95.6Very high125 Ų12556 Ų5647%0.47229%0.288SS..  trans-128.2137.2-180-169.3-176.9178.1-162.8-0.1111.1E226 E227 Y323 T326R224-E226 PolarHBondContact O-N 2.81Å; R224-E227 HydrophobicContact CB-CG 3.98Å; R224-E227 WeakPolarHBondContact CD-OE1 3.3Å; R224-E227 IonicContact NH1-OE1 3.67Å; R224-E227 WeakPolarHBondContact O-CB 3.31Å; R224-E227 PolarHBondContact O-N 3.26Å; R224-E227 VanDerWaalsContact O-N 3.1Å; R224-Y323 WeakPolarHBondContact O-CB 3.44Å; R224-T326 HydrophobicContact CB-CG2 4.47Å; R224-T326 HydrophobicContact CG-CG2 4.24Å
225Q95Very high95.7Very high5 Ų553.9 Ų53.92%0.02328%0.275CS..THydrogen-bonded Turntrans-56.3140.6176.7-172.6-177.8-6.500110.9E227 D245 H249 Y323 Q325 T326Q225-E227 PolarHBondContact O-N 2.76Å; Q225-D245 PolarHBondContact NE2-O 2.9Å; Q225-H249 PolarHBondContact NE2-CD2 2.81Å; Q225-H249 PolarHBondContact NE2-NE2 2.89Å; Q225-Y323 VanDerWaalsContact CA-O 3.29Å; Q225-Y323 WeakPolarHBondContact CA-O 3.37Å; Q225-Q325 PolarHBondContact N-O 2.81Å; Q225-T326 WeakPolarHBondContact CB-OG1 3.4Å; Q225-T326 PolarHBondContact N-OG1 3.38Å
226E93.5Very high95.7Very high76 Ų7651.4 Ų51.436%0.35526%0.261SS..THydrogen-bonded Turntrans75.6-12.1-174.1-54.6173.8140.800115.5R224 K248 Q252 T322 Y323R224-E226 PolarHBondContact O-N 2.81Å; E226-K248 VanDerWaalsContact CD-CD 3.5Å; E226-K248 HydrophobicContact CG-CB 4.44Å; E226-K248 HydrophobicContact CG-CD 4.16Å; E226-K248 WeakPolarHBondContact OE1-CB 3.49Å; E226-K248 WeakPolarHBondContact OE1-CG 3.48Å; E226-K248 WeakPolarHBondContact OE2-CD 3.15Å; E226-K248 WeakPolarHBondContact OE2-CE 3.25Å; E226-K248 IonicContact OE2-NZ 3.31Å; E226-K248 PolarHBondContact OE2-NZ 3.06Å; E226-Q252 HydrophobicContact CG-CB 4.42Å; E226-Q252 HydrophobicContact CG-CG 4.22Å; E226-T322 WeakPolarHBondContact O-CG2 3.16Å; E226-Y323 PolarHBondContact N-O 3.19Å; E226-Y323 VanDerWaalsContact N-O 3.09Å
227E95.5Very high95.5Very high85 Ų8552.1 Ų52.140%0.39727%0.271SS..SBendtrans-71.7146.5173.6-70.4-176.3179.700111.1R224 Q225 T322 Y323R224-E227 HydrophobicContact CB-CG 3.98Å; R224-E227 WeakPolarHBondContact CD-OE1 3.3Å; R224-E227 IonicContact NH1-OE1 3.67Å; R224-E227 WeakPolarHBondContact O-CB 3.31Å; R224-E227 PolarHBondContact O-N 3.26Å; R224-E227 VanDerWaalsContact O-N 3.1Å; Q225-E227 PolarHBondContact O-N 2.76Å; E227-T322 CarbonylContact O-C 3.6Å; E227-T322 WeakPolarHBondContact O-CA 3.19Å; E227-T322 WeakPolarHBondContact O-CB 3.44Å; E227-Y323 HydrophobicContact CB-CD2 4.28Å; E227-Y323 WeakPolarHBondContact O-CD2 3.4Å; E227-Y323 PolarHBondContact O-N 2.91Å
228P96.1Very high95.4Very high75 Ų7548.7 Ų48.749%0.48725%0.251SS..BIsolated β-bridgetrans-63.5144.717827.9-35.2000110.9N230 Y323P228-N230 PolarHBondContact O-N 3.4Å; P228-Y323 WeakPolarHBondContact O-CE2 3.38Å
229V94.7Very high95.3Very high25 Ų2545.8 Ų45.815%0.15224%0.239CC..  trans-75.7111.3-178.9179.80000109E315 Y316 K321 Y323V229-E315 HydrophobicContact CB-CB 4.43Å; V229-E315 HydrophobicContact CG1-CB 4.06Å; V229-E315 HydrophobicContact CG2-CB 3.58Å; V229-E315 HydrophobicContact CG2-CG 3.53Å; V229-Y316 HydrophobicContact CG1-CD2 4.32Å; V229-Y316 HydrophobicContact CG1-CE2 3.71Å; V229-K321 PolarHBondContact N-O 3.41Å; V229-K321 VanDerWaalsContact N-O 3.11Å; V229-Y323 HydrophobicContact CG1-CE1 4.22Å; V229-Y323 HydrophobicContact CG2-CD1 4.22Å; V229-Y323 HydrophobicContact CG2-CD2 4.48Å; V229-Y323 HydrophobicContact CG2-CE1 4.24Å; V229-Y323 HydrophobicContact CG2-CE2 4.5Å; V229-Y323 HydrophobicContact CG2-CG 4.34Å
230N91.1Very high95.3Very high115 Ų11539.3 Ų39.362%0.61521%0.209SC*.  trans-105.58-174.3-71.3-25.8000113.2P228 Y323 G339 G340P228-N230 PolarHBondContact O-N 3.4Å; N230-Y323 PolarHBondContact N-OH 3.28Å; N230-G339 CarbonylContact O-C 3.57Å; N230-G340 PolarHBondContact O-N 2.85Å
231G94.1Very high95.3Very high2 Ų239.9 Ų39.92%0.02121%0.208CC..EExtended strand (participates in β ladder)trans142.4-170.4-175.900000113.4Y323 L338G231-Y323 PolarHBondContact O-OH 3.43Å; G231-Y323 VanDerWaalsContact O-OH 3.08Å; G231-L338 CarbonylContact C-O 3.47Å; G231-L338 WeakPolarHBondContact CA-O 3.45Å
232L96.7Very high95.2Very high0 Ų036 Ų360%019%0.188CC..EExtended strand (participates in β ladder)trans-101.6140.1174.8-62.8176.1000109.9L195 F234 I310 L311 Y316 L338 F343 I359L195-L232 HydrophobicContact CD2-CD1 3.52Å; L232-F234 HydrophobicContact CB-CE2 3.79Å; L232-F234 HydrophobicContact CB-CZ 3.88Å; L232-F234 HydrophobicContact CD1-CZ 3.92Å; L232-I310 HydrophobicContact CB-CG2 4.43Å; L232-I310 HydrophobicContact CD2-CG2 4.1Å; L232-L311 WeakPolarHBondContact CA-O 3.39Å; L232-Y316 HydrophobicContact CD2-CD2 3.54Å; L232-Y316 HydrophobicContact CD2-CE2 3.86Å; L232-Y316 HydrophobicContact CG-CD2 4.16Å; L232-Y316 HydrophobicContact CG-CE2 4.09Å; L232-L338 HydrophobicContact CB-CB 4.38Å; L232-L338 PolarHBondContact N-O 3.16Å; L232-L338 PolarHBondContact O-N 3.01Å; L232-F343 HydrophobicContact CD1-CD1 4.36Å; L232-F343 HydrophobicContact CD1-CD2 3.62Å; L232-F343 HydrophobicContact CD1-CE1 4.29Å; L232-F343 HydrophobicContact CD1-CE2 3.53Å; L232-F343 HydrophobicContact CD1-CG 4.05Å; L232-F343 HydrophobicContact CD1-CZ 3.9Å; L232-F343 HydrophobicContact CG-CD2 4.44Å; L232-F343 HydrophobicContact CG-CG 4.4Å; L232-I359 HydrophobicContact CD1-CD1 4.29Å; L232-I359 HydrophobicContact CD2-CD1 4.31Å
233V97.1Very high95.1Very high9 Ų935.7 Ų35.76%0.05519%0.186CC..EExtended strand (participates in β ladder)trans-118121.9173.5-176.10000108.5V223 L311 T335 I337V223-V233 HydrophobicContact CG1-CG2 4.3Å; V233-L311 HydrophobicContact CB-CB 4.17Å; V233-L311 HydrophobicContact CB-CD1 4.44Å; V233-L311 PolarHBondContact N-O 3.13Å; V233-L311 PolarHBondContact O-N 2.99Å; V233-T335 HydrophobicContact CG1-CG2 3.94Å; V233-I337 HydrophobicContact CG1-CG1 4.44Å; V233-I337 HydrophobicContact CG2-CG1 4.41Å
234F96.9Very high94.9Very high3 Ų335.3 Ų35.31%0.01318%0.184CC..EExtended strand (participates in β ladder)trans-105.5121.7179.1-55.1-91000109.5F189 L195 F196 L211 L232 I310 T335 Y336 L338F189-F234 HydrophobicContact CE1-CB 4.13Å; F189-F234 HydrophobicContact CE1-CD1 4.19Å; F189-F234 HydrophobicContact CE1-CD2 4.31Å; F189-F234 AromaticContact CE1-CG 3.96Å; F189-F234 HydrophobicContact CE1-CG 3.96Å; F189-F234 HydrophobicContact CE2-CB 4.42Å; F189-F234 HydrophobicContact CZ-CB 3.53Å; F189-F234 AromaticContact CZ-CD1 3.82Å; F189-F234 HydrophobicContact CZ-CD1 3.82Å; F189-F234 HydrophobicContact CZ-CD2 4.48Å; F189-F234 AromaticContact CZ-CG 3.7Å; F189-F234 HydrophobicContact CZ-CG 3.7Å; L195-F234 HydrophobicContact CD2-CE1 3.93Å; L195-F234 HydrophobicContact CD2-CZ 3.9Å; F196-F234 HydrophobicContact CE2-CE1 4.15Å; F196-F234 HydrophobicContact CE2-CZ 4.01Å; F196-F234 HydrophobicContact CZ-CE1 4.3Å; F196-F234 HydrophobicContact CZ-CE2 4.41Å; F196-F234 AromaticContact CZ-CZ 3.72Å; F196-F234 HydrophobicContact CZ-CZ 3.72Å; L211-F234 HydrophobicContact CD2-CD2 4.44Å; L211-F234 HydrophobicContact CD2-CE2 4.28Å; L232-F234 HydrophobicContact CB-CE2 3.79Å; L232-F234 HydrophobicContact CB-CZ 3.88Å; L232-F234 HydrophobicContact CD1-CZ 3.92Å; F234-I310 HydrophobicContact CD1-CB 4.42Å; F234-I310 HydrophobicContact CD1-CD1 4.34Å; F234-I310 HydrophobicContact CD1-CG1 3.83Å; F234-I310 HydrophobicContact CD1-CG2 4.1Å; F234-I310 HydrophobicContact CE1-CB 4.44Å; F234-I310 HydrophobicContact CE1-CD1 3.97Å; F234-I310 HydrophobicContact CE1-CG1 3.91Å; F234-I310 HydrophobicContact CE1-CG2 3.79Å; F234-I310 HydrophobicContact CZ-CG2 4.38Å; F234-T335 CarbonylContact O-C 3.55Å; F234-T335 WeakPolarHBondContact O-CA 3.39Å; F234-T335 VanDerWaalsContact O-CB 3.29Å; F234-T335 WeakPolarHBondContact O-CB 3.26Å; F234-Y336 WeakPolarHBondContact CD2-O 3.43Å; F234-Y336 PolarHBondContact N-O 3.2Å; F234-Y336 PolarHBondContact O-N 2.83Å; F234-L338 HydrophobicContact CE2-CB 3.85Å; F234-L338 HydrophobicContact CE2-CD2 4.48Å
235I95.9Very high94.7Very high0 Ų030.6 Ų30.60%017%0.168CC..EExtended strand (participates in β ladder)trans-79.4123.9174.8-58.7176.8000108.5L222 A240 V305 P307 G308 T309 T333 T335L222-I235 HydrophobicContact CD1-CD1 4.03Å; L222-I235 HydrophobicContact CD1-CG1 4.24Å; I235-A240 HydrophobicContact CD1-CB 4.37Å; I235-V305 HydrophobicContact CD1-CB 4.29Å; I235-V305 HydrophobicContact CD1-CG2 3.6Å; I235-P307 CarbonylContact O-C 3.6Å; I235-P307 WeakPolarHBondContact O-CA 3.4Å; I235-G308 PolarHBondContact O-N 3.31Å; I235-T309 PolarHBondContact N-O 3.37Å; I235-T309 VanDerWaalsContact N-O 3.16Å; I235-T333 HydrophobicContact CG2-CG2 3.87Å; I235-T335 HydrophobicContact CG1-CG2 4.48Å
236I94.8Very high94.3Very high46 Ų4630.7 Ų30.724%0.23617%0.169CC..EExtended strand (participates in β ladder)trans-103.5-37.7178.353.7168.2000112.5F189 Q213 P307 S334 Y336F189-I236 HydrophobicContact CD2-CG2 4.02Å; F189-I236 HydrophobicContact CE2-CG2 3.83Å; Q213-I236 HydrophobicContact CG-CD1 4.37Å; I236-P307 WeakPolarHBondContact O-CB 3.37Å; I236-S334 WeakPolarHBondContact CG1-O 3.47Å; I236-S334 PolarHBondContact N-O 2.98Å; I236-Y336 HydrophobicContact CD1-CE2 4.36Å; I236-Y336 HydrophobicContact CG2-CD2 3.45Å; I236-Y336 VanDerWaalsContact CG2-CD2 3.45Å; I236-Y336 HydrophobicContact CG2-CE2 3.77Å; I236-Y336 HydrophobicContact CG2-CG 4.37Å
237S94.7Very high93.9Very high54 Ų5429 Ų2938%0.37816%0.162SC..EExtended strand (participates in β ladder)trans-149.6152.4173.856.10000108.9T333 S334S237-T333 CarbonylContact O-C 3.52Å; S237-T333 WeakPolarHBondContact O-CA 3.4Å; S237-T333 WeakPolarHBondContact O-CG2 3.34Å; S237-S334 PolarHBondContact N-O 3.25Å; S237-S334 PolarHBondContact O-N 2.99Å; S237-S334 VanDerWaalsContact OG-CB 3.26Å; S237-S334 WeakPolarHBondContact OG-CB 3.33Å; S237-S334 PolarHBondContact OG-OG 2.92Å
238G95.2Very high93.6Very high12 Ų1227.7 Ų27.712%0.12416%0.155CC..SBendtrans92.4-177.3-173.600000113.3P307 E331G238-P307 WeakPolarHBondContact O-CD 3.32Å; G238-E331 WeakPolarHBondContact CA-OE1 3.43Å
239Q95Very high93.3Very high62 Ų6224.2 Ų24.229%0.2913%0.132SC..  trans-142.8145.4-175.1-74176.24.600110.5I304 V305 I330 E331 T333Q239-I304 HydrophobicContact CB-CG2 4.08Å; Q239-I304 HydrophobicContact CG-CG2 4.27Å; Q239-V305 CarbonylContact C-O 3.58Å; Q239-V305 WeakPolarHBondContact CA-O 3.46Å; Q239-I330 HydrophobicContact CB-CD1 3.91Å; Q239-I330 HydrophobicContact CB-CG1 3.79Å; Q239-I330 VanDerWaalsContact O-CG1 3.3Å; Q239-I330 WeakPolarHBondContact O-CG1 3.35Å; Q239-I330 PolarHBondContact O-N 3.39Å; Q239-E331 HydrophobicContact CB-CG 3.97Å; Q239-E331 VanDerWaalsContact CB-OE1 3.25Å; Q239-E331 WeakPolarHBondContact CB-OE1 3.46Å; Q239-E331 WeakPolarHBondContact CG-OE1 3.23Å; Q239-E331 PolarHBondContact N-OE1 2.93Å; Q239-E331 PolarHBondContact O-N 3.46Å; Q239-T333 PolarHBondContact N-OG1 3.22Å; Q239-T333 PolarHBondContact O-OG1 3.34Å
240A94.8Very high92.9Very high0 Ų025.3 Ų25.30%014%0.14CC..EExtended strand (participates in β ladder)trans-129.3147.7174.200000110.9L222 I235 I304 V305 I328L222-A240 HydrophobicContact CD1-CB 3.63Å; I235-A240 HydrophobicContact CD1-CB 4.37Å; A240-I304 CarbonylContact O-C 3.6Å; A240-I304 WeakPolarHBondContact O-CA 3.17Å; A240-V305 HydrophobicContact CB-CG2 3.85Å; A240-V305 PolarHBondContact N-O 2.61Å; A240-V305 VanDerWaalsContact O-CG2 3.27Å; A240-V305 WeakPolarHBondContact O-CG2 3.49Å; A240-V305 PolarHBondContact O-N 2.91Å; A240-I328 CarbonylContact C-O 3.41Å; A240-I328 WeakPolarHBondContact CA-O 3.35Å; A240-I328 WeakPolarHBondContact CB-O 3.36Å
241Q95.2Very high92.8Very high33 Ų3328.3 Ų28.315%0.15415%0.148CC..EExtended strand (participates in β ladder)trans-93.2128.4172.5-178176.79.500109.8D301 A327 I328 I330Q241-D301 VanDerWaalsContact NE2-CB 3.31Å; Q241-D301 PolarHBondContact NE2-OD1 3.39Å; Q241-D301 PolarHBondContact NE2-OD2 2.86Å; Q241-A327 WeakPolarHBondContact O-CA 3.44Å; Q241-I328 PolarHBondContact N-O 2.77Å; Q241-I328 PolarHBondContact O-N 3.36Å; Q241-I330 HydrophobicContact CB-CG2 3.64Å
242V94.7Very high92.6Very high3 Ų329.5 Ų29.52%0.01815%0.153CC..EExtended strand (participates in β ladder)trans-98.8128177.4-175.10000109.8L302 C303 V305 Q325 T326 A327V242-L302 HydrophobicContact CG1-CD1 4.39Å; V242-L302 PolarHBondContact O-N 3.18Å; V242-C303 PolarHBondContact N-O 3.11Å; V242-V305 HydrophobicContact CG2-CB 4.3Å; V242-V305 HydrophobicContact CG2-CG1 3.56Å; V242-V305 HydrophobicContact CG2-CG2 3.75Å; V242-Q325 HydrophobicContact CG1-CB 3.91Å; V242-Q325 HydrophobicContact CG1-CG 4.36Å; V242-T326 CarbonylContact C-O 3.56Å; V242-T326 WeakPolarHBondContact CA-O 3.29Å; V242-A327 HydrophobicContact CG2-CB 4.2Å
243S93.2Very high92.3Very high9 Ų930.4 Ų30.46%0.06316%0.156CC..EExtended strand (participates in β ladder)trans-136.3157.8179.861.60000111.5I300 T326S243-I300 CarbonylContact C-O 3.58Å; S243-I300 WeakPolarHBondContact CA-O 3.39Å; S243-I300 WeakPolarHBondContact CB-O 3.41Å; S243-T326 PolarHBondContact N-O 3.45Å; S243-T326 PolarHBondContact O-N 3.43Å
244V92.6Very high91.9Very high2 Ų233.9 Ų33.91%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-139144.5-179.971.30000111.4H249 I300 L302 M324 Q325 I379V244-H249 VanDerWaalsContact CG2-CE1 3.43Å; V244-H249 WeakPolarHBondContact CG2-CE1 3.28Å; V244-H249 WeakPolarHBondContact CG2-NE2 3.48Å; V244-I300 HydrophobicContact CG1-CB 4.24Å; V244-I300 PolarHBondContact N-O 2.89Å; V244-I300 PolarHBondContact O-N 3Å; V244-L302 HydrophobicContact CB-CD1 4.1Å; V244-L302 HydrophobicContact CG1-CD1 3.92Å; V244-L302 HydrophobicContact CG1-CD2 3.78Å; V244-L302 HydrophobicContact CG1-CG 4.05Å; V244-M324 WeakPolarHBondContact CG2-O 3.44Å; V244-Q325 HydrophobicContact CB-CG 4.31Å; V244-Q325 HydrophobicContact CG2-CG 4.32Å; V244-I379 HydrophobicContact CG1-CD1 3.99Å
245D91.2Very high91.4Very high27 Ų2740.8 Ų40.814%0.14422%0.216CC..  trans-101.1109.1165.1-173.5-20000108.3Q225 L247 K248 K298Q225-D245 PolarHBondContact NE2-O 2.9Å; D245-L247 PolarHBondContact O-N 3.35Å; D245-L247 WeakPolarHBondContact OD1-CB 3.4Å; D245-L247 PolarHBondContact OD1-N 2.74Å; D245-K248 HydrophobicContact CB-CB 4.32Å; D245-K248 HydrophobicContact CB-CD 3.77Å; D245-K248 HydrophobicContact CB-CG 3.95Å; D245-K248 PolarHBondContact O-N 3.4Å; D245-K248 WeakPolarHBondContact OD2-CG 3.07Å; D245-K298 WeakPolarHBondContact CA-O 3.45Å; D245-K298 WeakPolarHBondContact CB-O 3.35Å
246I87.7Confident90.9Very high7 Ų742.6 Ų42.64%0.03623%0.225CC..G310 helixtrans-64.2-33.2-179.7-65.2-176.6000110.5K248 H249 Y261 L297 I300 I379 P380I246-K248 PolarHBondContact O-N 3.39Å; I246-H249 PolarHBondContact O-N 3.36Å; I246-Y261 HydrophobicContact CG2-CD2 4.35Å; I246-L297 HydrophobicContact CD1-CD2 4.19Å; I246-L297 PolarHBondContact N-O 2.91Å; I246-I300 HydrophobicContact CD1-CD1 3.28Å; I246-I300 HydrophobicContact CG1-CD1 3.8Å; I246-I379 HydrophobicContact CD1-CG1 3.97Å; I246-I379 HydrophobicContact CG1-CG1 4.31Å; I246-P380 HydrophobicContact CG2-CG 4.3Å
247L85.4Confident90.4Very high41 Ų4149.3 Ų49.322%0.21525%0.253CS..G310 helixtrans-71.9-14.7-173.6-56.4178.8000112.5D245 R294 L297 K298D245-L247 PolarHBondContact O-N 3.35Å; D245-L247 WeakPolarHBondContact OD1-CB 3.4Å; D245-L247 PolarHBondContact OD1-N 2.74Å; L247-R294 HydrophobicContact CD1-CG 3.7Å; L247-L297 HydrophobicContact CD1-CB 4.34Å; L247-L297 HydrophobicContact CD2-CB 4.25Å; L247-L297 HydrophobicContact CD2-CD1 4.28Å; L247-L297 HydrophobicContact CG-CB 4.12Å; L247-K298 HydrophobicContact CD1-CG 4.03Å
248K88.6Confident89.7Confident56 Ų5647.7 Ų47.724%0.24324%0.24CC..G310 helixtrans-83-31.8176.3-73.1-178.4171.7-147.10113.6E226 D245 I246 K251 Q252E226-K248 VanDerWaalsContact CD-CD 3.5Å; E226-K248 HydrophobicContact CG-CB 4.44Å; E226-K248 HydrophobicContact CG-CD 4.16Å; E226-K248 WeakPolarHBondContact OE1-CB 3.49Å; E226-K248 WeakPolarHBondContact OE1-CG 3.48Å; E226-K248 WeakPolarHBondContact OE2-CD 3.15Å; E226-K248 WeakPolarHBondContact OE2-CE 3.25Å; E226-K248 IonicContact OE2-NZ 3.31Å; E226-K248 PolarHBondContact OE2-NZ 3.06Å; D245-K248 HydrophobicContact CB-CB 4.32Å; D245-K248 HydrophobicContact CB-CD 3.77Å; D245-K248 HydrophobicContact CB-CG 3.95Å; D245-K248 PolarHBondContact O-N 3.4Å; D245-K248 WeakPolarHBondContact OD2-CG 3.07Å; I246-K248 PolarHBondContact O-N 3.39Å; K248-K251 PolarHBondContact O-N 3.31Å; K248-Q252 WeakPolarHBondContact O-CB 3.47Å; K248-Q252 PolarHBondContact O-N 2.95Å
249H90.3Very high88.6Confident2 Ų251.4 Ų51.41%0.00926%0.262CS..Hα-helixtrans-54.2-43.1-174.7-67.9159.9000114.5Q225 V244 I246 K251 Q252 Y253 L258 M324 L381Q225-H249 PolarHBondContact NE2-CD2 2.81Å; Q225-H249 PolarHBondContact NE2-NE2 2.89Å; V244-H249 VanDerWaalsContact CG2-CE1 3.43Å; V244-H249 WeakPolarHBondContact CG2-CE1 3.28Å; V244-H249 WeakPolarHBondContact CG2-NE2 3.48Å; I246-H249 PolarHBondContact O-N 3.36Å; H249-K251 VanDerWaalsContact C-N 3.26Å; H249-K251 PolarHBondContact O-N 2.89Å; H249-Q252 PolarHBondContact O-N 2.99Å; H249-Y253 HydrophobicContact CB-CD2 4.47Å; H249-Y253 PolarHBondContact O-N 2.96Å; H249-L258 HydrophobicContact CB-CD1 3.8Å; H249-M324 PolarHBondContact NE2-O 2.86Å; H249-L381 WeakPolarHBondContact ND1-CB 3.4Å
250P86.9Confident87.1Confident49 Ų4952.9 Ų52.932%0.31829%0.285SS..Hα-helixtrans-62.5-32.4178.4-24.335.5000113.6
251K88.2Confident85.4Confident178 Ų17857.3 Ų57.377%0.77430%0.302SS*.Hα-helixtrans-78.5-36.6176.4-64.6-175.2178.2-174.70111.8K248 H249K248-K251 PolarHBondContact O-N 3.31Å; H249-K251 VanDerWaalsContact C-N 3.26Å; H249-K251 PolarHBondContact O-N 2.89Å
252Q89.7Confident83.4Confident27 Ų2758.2 Ų58.213%0.12631%0.312CS..Hα-helixtrans-69.5-35.2179.1-170.3176.4-5.300112E226 K248 H249 T322 Y323E226-Q252 HydrophobicContact CG-CB 4.42Å; E226-Q252 HydrophobicContact CG-CG 4.22Å; K248-Q252 WeakPolarHBondContact O-CB 3.47Å; K248-Q252 PolarHBondContact O-N 2.95Å; H249-Q252 PolarHBondContact O-N 2.99Å; Q252-T322 VanDerWaalsContact CG-OG1 3.23Å; Q252-T322 WeakPolarHBondContact CG-OG1 3.3Å; Q252-T322 PolarHBondContact NE2-OG1 3.38Å; Q252-Y323 PolarHBondContact NE2-O 3.06Å
253Y91.3Very high81.4Confident18 Ų1859.1 Ų59.17%0.07132%0.317CS..  trans-131.568.2-175.3-53-64.3000112.3H249 D255 L256 L320 T322 M324 L381H249-Y253 HydrophobicContact CB-CD2 4.47Å; H249-Y253 PolarHBondContact O-N 2.96Å; Y253-D255 PolarHBondContact O-N 3.03Å; Y253-L256 HydrophobicContact CD1-CD1 4.44Å; Y253-L256 HydrophobicContact CD2-CD1 4.42Å; Y253-L256 HydrophobicContact CG-CD1 3.94Å; Y253-L256 PolarHBondContact O-N 3.19Å; Y253-L320 HydrophobicContact CD1-CD2 4.49Å; Y253-L320 HydrophobicContact CE1-CB 4.13Å; Y253-L320 HydrophobicContact CE1-CD2 4.07Å; Y253-T322 PolarHBondContact OH-O 2.85Å; Y253-M324 HydrophobicContact CE2-CB 4.49Å; Y253-L381 HydrophobicContact CD2-CD1 4.23Å; Y253-L381 HydrophobicContact CD2-CD2 4.31Å; Y253-L381 HydrophobicContact CE2-CD1 4.41Å; Y253-L381 HydrophobicContact CE2-CD2 3.83Å
254P87.3Confident79.2Confident83 Ų8363.5 Ų63.554%0.53934%0.344SS..G310 helixtrans-61.3-34-178.525.2-34.1000112.5L256 K257P254-L256 VanDerWaalsContact C-N 3.25Å; P254-L256 PolarHBondContact O-N 3.42Å; P254-K257 PolarHBondContact O-N 3.46Å
255D86.5Confident76.8Confident148 Ų14867.6 Ų67.679%0.79137%0.373SS*.G310 helixtrans-65.7-26.4-177.5-60.7-28.9000113.2Y253 K257Y253-D255 PolarHBondContact O-N 3.03Å; D255-K257 PolarHBondContact O-N 3.08Å
256L86.1Confident74.6Confident37 Ų3767.7 Ų67.719%0.19437%0.374CS..G310 helixtrans-77.5-6.3-177.4-57.6-174.2000113Y253 P254 L258 L381 Y384Y253-L256 HydrophobicContact CD1-CD1 4.44Å; Y253-L256 HydrophobicContact CD2-CD1 4.42Å; Y253-L256 HydrophobicContact CG-CD1 3.94Å; Y253-L256 PolarHBondContact O-N 3.19Å; P254-L256 VanDerWaalsContact C-N 3.25Å; P254-L256 PolarHBondContact O-N 3.42Å; L256-L258 HydrophobicContact CB-CD2 4.08Å; L256-L258 HydrophobicContact CB-CG 3.97Å; L256-L258 PolarHBondContact O-N 3.48Å; L256-L258 VanDerWaalsContact O-N 3.13Å; L256-L381 HydrophobicContact CD1-CD1 3.87Å; L256-Y384 HydrophobicContact CB-CE1 4.3Å; L256-Y384 HydrophobicContact CD1-CD1 4.18Å; L256-Y384 HydrophobicContact CD1-CE1 4.05Å; L256-Y384 HydrophobicContact CD2-CE1 3.65Å; L256-Y384 HydrophobicContact CG-CE1 4.2Å
257K83.2Confident72.6Confident188 Ų18876.5 Ų76.582%0.81742%0.415SS*.THydrogen-bonded Turntrans45.744.7-180-61.1-179.3-177.9177.50112.6P254 D255P254-K257 PolarHBondContact O-N 3.46Å; D255-K257 PolarHBondContact O-N 3.08Å
258L81Confident70.8Confident19 Ų1977.7 Ų77.710%0.09942%0.421CS..PPolyproline II helixtrans-60.8143.6-179.9-61.4174.9000110H249 L256 A260 L381 Y384H249-L258 HydrophobicContact CB-CD1 3.8Å; L256-L258 HydrophobicContact CB-CD2 4.08Å; L256-L258 HydrophobicContact CB-CG 3.97Å; L256-L258 PolarHBondContact O-N 3.48Å; L256-L258 VanDerWaalsContact O-N 3.13Å; L258-A260 PolarHBondContact O-N 2.8Å; L258-L381 HydrophobicContact CD1-CB 4.46Å; L258-L381 HydrophobicContact CD1-CD1 4.31Å; L258-Y384 HydrophobicContact CD2-CD2 4.39Å; L258-Y384 HydrophobicContact CD2-CG 4Å
259P71.1Confident68.6Low91 Ų9178.8 Ų78.859%0.59143%0.43SS*.PPolyproline II helixtrans-59.2130.1178.925.2-33.6000109.7Y261 P380P259-Y261 PolarHBondContact O-N 3.14Å; P259-P380 HydrophobicContact CG-CB 3.94Å; P259-P380 HydrophobicContact CG-CG 4.45Å
260A63.2Low66.3Low92 Ų9283.2 Ų83.276%0.7645%0.453SS*.PPolyproline II helixtrans-63.6121.7173.600000108.6L258 S262L258-A260 PolarHBondContact O-N 2.8Å; A260-S262 PolarHBondContact O-N 3.41Å; A260-S262 VanDerWaalsContact O-N 3.09Å
261Y61Low64.2Low94 Ų9486.9 Ų86.937%0.36947%0.466SS..  trans-73.5102.8172.8-146.6-80.5000107.9I246 P259 L297 P380I246-Y261 HydrophobicContact CG2-CD2 4.35Å; P259-Y261 PolarHBondContact O-N 3.14Å; Y261-L297 HydrophobicContact CD1-CD1 3.42Å; Y261-L297 VanDerWaalsContact CD1-CD1 3.42Å; Y261-L297 HydrophobicContact CD1-CD2 4.5Å; Y261-L297 HydrophobicContact CE1-CD1 3.28Å; Y261-L297 HydrophobicContact CE1-CD2 3.9Å; Y261-L297 HydrophobicContact CE1-CG 4.22Å; Y261-L297 HydrophobicContact CE2-CD2 4.34Å; Y261-L297 HydrophobicContact CG-CD1 4.3Å; Y261-P380 HydrophobicContact CD2-CG 4.44Å
262S51.7Low62.1Low51 Ų5185.7 Ų85.736%0.35746%0.461SS..  trans-86.2116.9165.5-164.60000108.4A260 T264 S265A260-S262 PolarHBondContact O-N 3.41Å; A260-S262 VanDerWaalsContact O-N 3.09Å; S262-T264 PolarHBondContact O-N 2.79Å; S262-T264 VanDerWaalsContact O-N 3.09Å; S262-T264 PolarHBondContact OG-N 2.92Å; S262-T264 PolarHBondContact OG-OG1 3.31Å; S262-S265 WeakPolarHBondContact CB-OG 3.35Å; S262-S265 PolarHBondContact O-N 2.84Å
263V52.3Low59.9Low22 Ų2287.5 Ų87.513%0.13347%0.471CS..G310 helixtrans-57.9-22.1171.4-177.50000110.8V290 K293 R294 L297V263-V290 HydrophobicContact CB-CG1 4.33Å; V263-V290 HydrophobicContact CG1-CB 4.4Å; V263-V290 HydrophobicContact CG1-CG1 3.83Å; V263-V290 WeakPolarHBondContact CG1-O 3.29Å; V263-K293 HydrophobicContact CG1-CB 3.62Å; V263-K293 HydrophobicContact CG1-CD 4.39Å; V263-R294 HydrophobicContact CG2-CB 4.15Å; V263-R294 HydrophobicContact CG2-CG 4.4Å; V263-L297 HydrophobicContact CG2-CD1 4.25Å
264T47.2Very low57.7Low101 Ų10192.7 Ų92.762%0.6250%0.499SS*.G310 helixtrans-81.9-9.5177.867.20000114.4S262 T266S262-T264 PolarHBondContact O-N 2.79Å; S262-T264 VanDerWaalsContact O-N 3.09Å; S262-T264 PolarHBondContact OG-N 2.92Å; S262-T264 PolarHBondContact OG-OG1 3.31Å; T264-T266 PolarHBondContact O-N 3.27Å; T264-T266 VanDerWaalsContact O-O 3.13Å
265S43.5Very low55.6Low89 Ų8995.3 Ų95.362%0.62250%0.503SS*.G310 helixtrans-784.3-174.5-72.30000115S262 E267S262-S265 WeakPolarHBondContact CB-OG 3.35Å; S262-S265 PolarHBondContact O-N 2.84Å; S265-E267 PolarHBondContact O-N 2.86Å
266T45.4Very low53.7Low29 Ų2990.3 Ų90.318%0.17848%0.479CS..SBendtrans-68.7117.2156.545.90000106.4T264 I268 K293 L532T264-T266 PolarHBondContact O-N 3.27Å; T264-T266 VanDerWaalsContact O-O 3.13Å; T266-I268 PolarHBondContact O-N 3.4Å; T266-I268 WeakPolarHBondContact OG1-CG1 3.32Å; T266-K293 PolarHBondContact OG1-NZ 3.1Å; T266-L532 HydrophobicContact CG2-CD2 3.63Å
267E45Very low52Low192 Ų19297.9 Ų97.990%0.89751%0.513SS*.  trans-54.465.4161.2-65.1171171.300109.1S265 D269S265-E267 PolarHBondContact O-N 2.86Å; E267-D269 PolarHBondContact O-N 2.91Å
268I47.2Very low50.4Low65 Ų6594.2 Ų94.233%0.33350%0.502SS..  trans-69.9112.3160-59.1172000101T266 D270 L273T266-I268 PolarHBondContact O-N 3.4Å; T266-I268 WeakPolarHBondContact OG1-CG1 3.32Å; I268-D270 PolarHBondContact O-N 3.32Å; I268-L273 HydrophobicContact CG2-CD1 3.55Å; I268-L273 HydrophobicContact CG2-CG 4.44Å
269D42.9Very low49.1Very low80 Ų8099 Ų9943%0.42854%0.538SS..  trans-53.384.5175-161.33.3000107.5E267 H271 K272E267-D269 PolarHBondContact O-N 2.91Å; D269-H271 PolarHBondContact O-N 3.29Å; D269-K272 HydrophobicContact CB-CB 4.49Å; D269-K272 HydrophobicContact CB-CD 4.33Å; D269-K272 HydrophobicContact CB-CG 4.32Å; D269-K272 PolarHBondContact O-N 3.27Å; D269-K272 WeakPolarHBondContact OD2-CD 3.39Å; D269-K272 WeakPolarHBondContact OD2-CE 3.28Å; D269-K272 IonicContact OD2-NZ 3.82Å
270D42.8Very low48.2Very low94 Ų94101.8 Ų101.850%0.50355%0.547SS..Hα-helixtrans-56.5-27.9-173.6-85.5-21.6000109.5I268 K272 L273 I274I268-D270 PolarHBondContact O-N 3.32Å; D270-K272 VanDerWaalsContact C-N 3.3Å; D270-K272 PolarHBondContact O-N 3.07Å; D270-L273 PolarHBondContact O-N 3.06Å; D270-I274 WeakPolarHBondContact O-CG1 3.45Å; D270-I274 PolarHBondContact O-N 2.99Å
271H42.2Very low47.3Very low126 Ų126103 Ų10358%0.58353%0.533SS*.Hα-helixtrans-59.3-35.4173.3-65.5-61.3000113.3D269 L273 H275D269-H271 PolarHBondContact O-N 3.29Å; H271-L273 VanDerWaalsContact C-N 3.26Å; H271-L273 PolarHBondContact O-N 3.4Å; H271-H275 PolarHBondContact O-CD2 3.25Å; H271-H275 PolarHBondContact O-N 3.12Å
272K44.2Very low46.6Very low153 Ų153101.2 Ų101.267%0.66553%0.533SS*.Hα-helixtrans-72.8-19.6174.9-72.3-176.1-178.4173.20113D269 D270D269-K272 HydrophobicContact CB-CB 4.49Å; D269-K272 HydrophobicContact CB-CD 4.33Å; D269-K272 HydrophobicContact CB-CG 4.32Å; D269-K272 PolarHBondContact O-N 3.27Å; D269-K272 WeakPolarHBondContact OD2-CD 3.39Å; D269-K272 WeakPolarHBondContact OD2-CE 3.28Å; D269-K272 IonicContact OD2-NZ 3.82Å; D270-K272 VanDerWaalsContact C-N 3.3Å; D270-K272 PolarHBondContact O-N 3.07Å
273L43Very low46.6Very low66 Ų66104.9 Ų104.935%0.34655%0.553SS.*Hα-helixtrans-92.8-34.5179.3-66176.2000112.7I268 D270 H271 H275 T276 M286I268-L273 HydrophobicContact CG2-CD1 3.55Å; I268-L273 HydrophobicContact CG2-CG 4.44Å; D270-L273 PolarHBondContact O-N 3.06Å; H271-L273 VanDerWaalsContact C-N 3.26Å; H271-L273 PolarHBondContact O-N 3.4Å; L273-H275 VanDerWaalsContact C-N 3.35Å; L273-T276 PolarHBondContact O-OG1 2.58Å; L273-M286 HydrophobicContact CD1-CE 3.27Å; L273-M286 HydrophobicContact CD1-SD 3.66Å
274I45.1Very low46.6Very low127 Ų127113.7 Ų113.765%0.65158%0.584SS**Hα-helixtrans-73.8-28.7177.9-59167000111.3D270D270-I274 WeakPolarHBondContact O-CG1 3.45Å; D270-I274 PolarHBondContact O-N 2.99Å
275H43.4Very low47Very low137 Ų137115.8 Ų115.863%0.63458%0.58SS**THydrogen-bonded Turntrans-93.412.8-176.7-64.4-52.2000115.6H271 L273 E277H271-H275 PolarHBondContact O-CD2 3.25Å; H271-H275 PolarHBondContact O-N 3.12Å; L273-H275 VanDerWaalsContact C-N 3.35Å; H275-E277 PolarHBondContact O-N 3.45Å
276T46.8Very low47.6Very low44 Ų44114.7 Ų114.727%0.2757%0.566SS.*  trans-73.6102.8161.755.10000108.1L273 N278 Y281L273-T276 PolarHBondContact O-OG1 2.58Å; T276-N278 CarbonylContact O-C 3.59Å; T276-N278 PolarHBondContact O-N 3.32Å; T276-Y281 HydrophobicContact CG2-CD2 4.04Å; T276-Y281 HydrophobicContact CG2-CE2 3.95Å; T276-Y281 WeakPolarHBondContact OG1-CB 3.34Å; T276-Y281 VanDerWaalsContact OG1-CD2 3.26Å; T276-Y281 WeakPolarHBondContact OG1-CD2 3.27Å
277E50.9Low48.4Very low196 Ų196115.5 Ų115.592%0.91658%0.581SS**SBendtrans-53.1-11.2175.9-67.1-175.8158.600113.7H275 S279H275-E277 PolarHBondContact O-N 3.45Å; E277-S279 PolarHBondContact O-N 3.01Å
278N48.8Very low49.5Very low110 Ų110114.4 Ų114.459%0.58857%0.569SS**  trans-70.592.6163.4-80.7-19.1000110.1T276 N280 Y281T276-N278 CarbonylContact O-C 3.59Å; T276-N278 PolarHBondContact O-N 3.32Å; N278-N280 PolarHBondContact O-N 3.21Å; N278-Y281 HydrophobicContact CB-CD2 3.94Å; N278-Y281 PolarHBondContact O-N 2.93Å
279S53Low50.3Low121 Ų121114.6 Ų114.685%0.84657%0.57SS**THydrogen-bonded Turntrans-49.9-13.1164-177.40000113.8E277E277-S279 PolarHBondContact O-N 3.01Å
280N52.9Low51.4Low148 Ų148113.6 Ų113.679%0.79157%0.567SS**THydrogen-bonded Turntrans-90.44.1173.6-81.2-13.5000114.8N278 P282N278-N280 PolarHBondContact O-N 3.21Å; N280-P282 WeakPolarHBondContact O-CD 3.34Å; N280-P282 WeakPolarHBondContact O-CG 3.21Å
281Y45.1Very low52.7Low117 Ų117113.4 Ų113.446%0.45957%0.566SS.*SBendtrans-65.4104.6165.8-108.9-89.3000107.5T276 N278 V283T276-Y281 HydrophobicContact CG2-CD2 4.04Å; T276-Y281 HydrophobicContact CG2-CE2 3.95Å; T276-Y281 WeakPolarHBondContact OG1-CB 3.34Å; T276-Y281 VanDerWaalsContact OG1-CD2 3.26Å; T276-Y281 WeakPolarHBondContact OG1-CD2 3.27Å; N278-Y281 HydrophobicContact CB-CD2 3.94Å; N278-Y281 PolarHBondContact O-N 2.93Å; Y281-V283 PolarHBondContact O-N 2.73Å
282P45.9Very low54.2Low57 Ų57114 Ų11437%0.3757%0.569SS.*  trans-72.6117.7-165.2-12.328.2000107.2N280 R284 R285N280-P282 WeakPolarHBondContact O-CD 3.34Å; N280-P282 WeakPolarHBondContact O-CG 3.21Å; P282-R284 HydrophobicContact CB-CB 3.84Å; P282-R284 HydrophobicContact CB-CG 4.31Å; P282-R284 PolarHBondContact O-N 3.48Å; P282-R285 PolarHBondContact O-N 2.89Å
283V51.2Low55.5Low128 Ų128108.5 Ų108.578%0.77655%0.545SS*.Hα-helixtrans-45.1-26.2159.3176.60000110.6Y281 R285 M286Y281-V283 PolarHBondContact O-N 2.73Å; V283-R285 VanDerWaalsContact C-N 3.26Å; V283-R285 PolarHBondContact O-N 2.69Å; V283-M286 PolarHBondContact O-N 2.99Å; V283-M286 VanDerWaalsContact O-N 3.17Å
284R52.6Low56.8Low208 Ų208111.7 Ų111.779%0.78555%0.553SS**Hα-helixtrans-52.1-34.7170.5-58.8-172.9178.4-153.4-0.3114P282 Y288P282-R284 HydrophobicContact CB-CB 3.84Å; P282-R284 HydrophobicContact CB-CG 4.31Å; P282-R284 PolarHBondContact O-N 3.48Å; R284-Y288 WeakPolarHBondContact O-CD2 3.33Å
285R55.8Low58Low145 Ų145108.4 Ų108.455%0.54754%0.54SS..Hα-helixtrans-70.1-32.4178.6-84.9-158.5-90.6-178.1-4.5113.6P282 V283 G287 Y288 I289P282-R285 PolarHBondContact O-N 2.89Å; V283-R285 VanDerWaalsContact C-N 3.26Å; V283-R285 PolarHBondContact O-N 2.69Å; R285-G287 VanDerWaalsContact C-N 3.3Å; R285-G287 PolarHBondContact O-N 3.31Å; R285-Y288 PolarHBondContact O-N 3.34Å; R285-Y288 VanDerWaalsContact O-N 3.12Å; R285-I289 WeakPolarHBondContact O-CG1 3.49Å; R285-I289 PolarHBondContact O-N 3.05Å
286M55.1Low59.4Low65 Ų65104.8 Ų104.832%0.3253%0.534SS..Hα-helixtrans-62.1-40.9177-66.2-61.5-98.900111.5L273 V283 Y288 I289 V290L273-M286 HydrophobicContact CD1-CE 3.27Å; L273-M286 HydrophobicContact CD1-SD 3.66Å; V283-M286 PolarHBondContact O-N 2.99Å; V283-M286 VanDerWaalsContact O-N 3.17Å; M286-Y288 VanDerWaalsContact C-N 3.3Å; M286-Y288 PolarHBondContact O-N 2.97Å; M286-I289 PolarHBondContact O-N 3.31Å; M286-V290 WeakPolarHBondContact O-CB 3.42Å; M286-V290 VanDerWaalsContact O-CG2 3.29Å; M286-V290 WeakPolarHBondContact O-CG2 3.29Å; M286-V290 PolarHBondContact O-N 2.9Å
287G63.1Low60.7Low47 Ų47103.6 Ų103.649%0.48553%0.526SS..Hα-helixtrans-58.1-41174.300000112.8R285 N291R285-G287 VanDerWaalsContact C-N 3.3Å; R285-G287 PolarHBondContact O-N 3.31Å; G287-N291 WeakPolarHBondContact O-CB 3.12Å; G287-N291 PolarHBondContact O-N 3.22Å
288Y67.9Low62Low169 Ų16998.6 Ų98.666%0.66350%0.501SS*.Hα-helixtrans-66.6-46.3176.4-69.5-70.2000112.2R284 R285 M286 N291 E292R284-Y288 WeakPolarHBondContact O-CD2 3.33Å; R285-Y288 PolarHBondContact O-N 3.34Å; R285-Y288 VanDerWaalsContact O-N 3.12Å; M286-Y288 VanDerWaalsContact C-N 3.3Å; M286-Y288 PolarHBondContact O-N 2.97Å; Y288-N291 PolarHBondContact O-N 3.01Å; Y288-E292 VanDerWaalsContact O-CB 3.3Å; Y288-E292 WeakPolarHBondContact O-CB 3.46Å; Y288-E292 PolarHBondContact O-N 3.06Å
289I64.5Low63.6Low68 Ų6899.1 Ų99.135%0.34950%0.498SS..Hα-helixtrans-63.4-45.2179.9-64.2165.7000110.9R285 M286 N291 E292 K293R285-I289 WeakPolarHBondContact O-CG1 3.49Å; R285-I289 PolarHBondContact O-N 3.05Å; M286-I289 PolarHBondContact O-N 3.31Å; I289-N291 VanDerWaalsContact C-N 3.34Å; I289-E292 PolarHBondContact O-N 3.21Å; I289-K293 HydrophobicContact CG2-CD 4.34Å; I289-K293 WeakPolarHBondContact O-CB 3.34Å; I289-K293 WeakPolarHBondContact O-CG 3.26Å; I289-K293 PolarHBondContact O-N 2.94Å
290V65.4Low65.2Low60 Ų6094.8 Ų94.836%0.36447%0.465SS..Hα-helixtrans-63.9-42.5177.1171.80000110.4V263 M286 R294V263-V290 HydrophobicContact CB-CG1 4.33Å; V263-V290 HydrophobicContact CG1-CB 4.4Å; V263-V290 HydrophobicContact CG1-CG1 3.83Å; V263-V290 WeakPolarHBondContact CG1-O 3.29Å; M286-V290 WeakPolarHBondContact O-CB 3.42Å; M286-V290 VanDerWaalsContact O-CG2 3.29Å; M286-V290 WeakPolarHBondContact O-CG2 3.29Å; M286-V290 PolarHBondContact O-N 2.9Å; V290-R294 VanDerWaalsContact O-CB 3.28Å; V290-R294 WeakPolarHBondContact O-CB 3.44Å; V290-R294 PolarHBondContact O-N 3.2Å
291N69.9Low66.9Low90 Ų9090.5 Ų90.548%0.48144%0.442SS..Hα-helixtrans-65.9-39.9177.4-176.165.6000112.1G287 Y288 I289 R294 C295G287-N291 WeakPolarHBondContact O-CB 3.12Å; G287-N291 PolarHBondContact O-N 3.22Å; Y288-N291 PolarHBondContact O-N 3.01Å; I289-N291 VanDerWaalsContact C-N 3.34Å; N291-R294 PolarHBondContact O-N 2.96Å; N291-C295 WeakPolarHBondContact O-CB 3.38Å; N291-C295 PolarHBondContact O-N 2.98Å; N291-C295 PolarHBondContact O-SG 2.87Å
292E73.7Confident69.1Low137 Ų13785.5 Ų85.564%0.6442%0.423SS*.Hα-helixtrans-63-51176.4-176.6174.1-162.700111.2Y288 I289 R294 C295 A296Y288-E292 VanDerWaalsContact O-CB 3.3Å; Y288-E292 WeakPolarHBondContact O-CB 3.46Å; Y288-E292 PolarHBondContact O-N 3.06Å; I289-E292 PolarHBondContact O-N 3.21Å; E292-R294 VanDerWaalsContact C-N 3.28Å; E292-R294 PolarHBondContact O-N 2.67Å; E292-C295 WeakPolarHBondContact O-CA 3.35Å; E292-C295 WeakPolarHBondContact O-CB 3.04Å; E292-C295 PolarHBondContact O-N 3.26Å; E292-A296 PolarHBondContact O-N 2.81Å
293K71.3Confident71.2Confident38 Ų3883.1 Ų83.117%0.16541%0.408CS..Hα-helixtrans-56.8-41.9173.5-75.5-178.1170.3179.40111.9V263 T266 I289 C295 A296 L297V263-K293 HydrophobicContact CG1-CB 3.62Å; V263-K293 HydrophobicContact CG1-CD 4.39Å; T266-K293 PolarHBondContact OG1-NZ 3.1Å; I289-K293 HydrophobicContact CG2-CD 4.34Å; I289-K293 WeakPolarHBondContact O-CB 3.34Å; I289-K293 WeakPolarHBondContact O-CG 3.26Å; I289-K293 PolarHBondContact O-N 2.94Å; K293-C295 VanDerWaalsContact C-N 3.35Å; K293-A296 PolarHBondContact O-N 2.83Å; K293-L297 VanDerWaalsContact O-CG 3.32Å; K293-L297 WeakPolarHBondContact O-CG 3.17Å; K293-L297 PolarHBondContact O-N 2.87Å
294R69.6Low73.2Confident134 Ų13478.3 Ų78.351%0.50638%0.378SS..Hα-helixtrans-63.9-40.8175.3-169.2179.6-179.5139.9-0.2111.6L247 V263 V290 N291 E292 L297 K298L247-R294 HydrophobicContact CD1-CG 3.7Å; V263-R294 HydrophobicContact CG2-CB 4.15Å; V263-R294 HydrophobicContact CG2-CG 4.4Å; V290-R294 VanDerWaalsContact O-CB 3.28Å; V290-R294 WeakPolarHBondContact O-CB 3.44Å; V290-R294 PolarHBondContact O-N 3.2Å; N291-R294 PolarHBondContact O-N 2.96Å; E292-R294 VanDerWaalsContact C-N 3.28Å; E292-R294 PolarHBondContact O-N 2.67Å; R294-L297 PolarHBondContact O-N 2.95Å; R294-K298 WeakPolarHBondContact O-CG 3.24Å; R294-K298 PolarHBondContact O-N 2.81Å
295C71.2Confident75.1Confident57 Ų5768.5 Ų68.539%0.38534%0.341SS..Hα-helixtrans-67.2-38.6178.4-69.60000111.9N291 E292 K293 L297 K298N291-C295 WeakPolarHBondContact O-CB 3.38Å; N291-C295 PolarHBondContact O-N 2.98Å; N291-C295 PolarHBondContact O-SG 2.87Å; E292-C295 WeakPolarHBondContact O-CA 3.35Å; E292-C295 WeakPolarHBondContact O-CB 3.04Å; E292-C295 PolarHBondContact O-N 3.26Å; K293-C295 VanDerWaalsContact C-N 3.35Å; C295-L297 PolarHBondContact O-N 2.9Å; C295-K298 PolarHBondContact O-N 3.35Å; C295-K298 VanDerWaalsContact O-N 3.13Å
296A73.3Confident76.8Confident62 Ų6261.7 Ų61.751%0.51232%0.316SS..Hα-helixtrans-59.3-31.6173.800000112.5E292 K293 I300E292-A296 PolarHBondContact O-N 2.81Å; K293-A296 PolarHBondContact O-N 2.83Å; A296-I300 VanDerWaalsContact O-CG1 3.28Å; A296-I300 WeakPolarHBondContact O-CG1 3.42Å
297L74Confident78.5Confident18 Ų1861.2 Ų61.29%0.09432%0.317CS..Hα-helixtrans-83.3-19178-62.5166.3000114.3I246 L247 Y261 V263 K293 R294 C295I246-L297 HydrophobicContact CD1-CD2 4.19Å; I246-L297 PolarHBondContact N-O 2.91Å; L247-L297 HydrophobicContact CD1-CB 4.34Å; L247-L297 HydrophobicContact CD2-CB 4.25Å; L247-L297 HydrophobicContact CD2-CD1 4.28Å; L247-L297 HydrophobicContact CG-CB 4.12Å; Y261-L297 HydrophobicContact CD1-CD1 3.42Å; Y261-L297 VanDerWaalsContact CD1-CD1 3.42Å; Y261-L297 HydrophobicContact CD1-CD2 4.5Å; Y261-L297 HydrophobicContact CE1-CD1 3.28Å; Y261-L297 HydrophobicContact CE1-CD2 3.9Å; Y261-L297 HydrophobicContact CE1-CG 4.22Å; Y261-L297 HydrophobicContact CE2-CD2 4.34Å; Y261-L297 HydrophobicContact CG-CD1 4.3Å; V263-L297 HydrophobicContact CG2-CD1 4.25Å; K293-L297 VanDerWaalsContact O-CG 3.32Å; K293-L297 WeakPolarHBondContact O-CG 3.17Å; K293-L297 PolarHBondContact O-N 2.87Å; R294-L297 PolarHBondContact O-N 2.95Å; C295-L297 PolarHBondContact O-N 2.9Å
298K77.6Confident79.7Confident92 Ų9259.6 Ų59.640%0.430%0.301SS..Hα-helixtrans-72.9-29.4-177.7-79.2177-175173.80113.1D245 L247 R294 C295D245-K298 WeakPolarHBondContact CA-O 3.45Å; D245-K298 WeakPolarHBondContact CB-O 3.35Å; L247-K298 HydrophobicContact CD1-CG 4.03Å; R294-K298 WeakPolarHBondContact O-CG 3.24Å; R294-K298 PolarHBondContact O-N 2.81Å; C295-K298 PolarHBondContact O-N 3.35Å; C295-K298 VanDerWaalsContact O-N 3.13Å
299K82.9Confident80.8Confident121 Ų12152 Ų5253%0.52627%0.272SS..  trans-147.2101.3177.6-173.3-178.4177.7-175.90109.2D301K299-D301 WeakPolarHBondContact CE-OD1 3.26Å
300I86.9Confident82.3Confident29 Ų2949.3 Ų49.315%0.14926%0.258CS..EExtended strand (participates in β ladder)trans-105.5119.8172.7-58.1176.6000107.5S243 V244 I246 A296 L302 I375S243-I300 CarbonylContact C-O 3.58Å; S243-I300 WeakPolarHBondContact CA-O 3.39Å; S243-I300 WeakPolarHBondContact CB-O 3.41Å; V244-I300 HydrophobicContact CG1-CB 4.24Å; V244-I300 PolarHBondContact N-O 2.89Å; V244-I300 PolarHBondContact O-N 3Å; I246-I300 HydrophobicContact CD1-CD1 3.28Å; I246-I300 HydrophobicContact CG1-CD1 3.8Å; A296-I300 VanDerWaalsContact O-CG1 3.28Å; A296-I300 WeakPolarHBondContact O-CG1 3.42Å; I300-L302 HydrophobicContact CB-CD2 4.49Å; I300-L302 HydrophobicContact CG2-CD2 3.92Å; I300-L302 PolarHBondContact O-N 3.16Å; I300-I375 HydrophobicContact CG2-CG2 3.54Å
301D88.8Confident83.7Confident58 Ų5847.4 Ų47.431%0.3125%0.246SC..EExtended strand (participates in β ladder)trans-80115.2175.7-66.7-21.9000108.9Q241 K299 R714Q241-D301 VanDerWaalsContact NE2-CB 3.31Å; Q241-D301 PolarHBondContact NE2-OD1 3.39Å; Q241-D301 PolarHBondContact NE2-OD2 2.86Å; K299-D301 WeakPolarHBondContact CE-OD1 3.26Å; D301-R714 IonicContact OD2-NH1 3.86Å
302L89.7Confident84.9Confident12 Ų1243.2 Ų43.26%0.06322%0.224CC..EExtended strand (participates in β ladder)trans-88.9-53.4-171.5-56.6-177000112.2V242 V244 I300 Q325 D376 I379 F382V242-L302 HydrophobicContact CG1-CD1 4.39Å; V242-L302 PolarHBondContact O-N 3.18Å; V244-L302 HydrophobicContact CB-CD1 4.1Å; V244-L302 HydrophobicContact CG1-CD1 3.92Å; V244-L302 HydrophobicContact CG1-CD2 3.78Å; V244-L302 HydrophobicContact CG1-CG 4.05Å; I300-L302 HydrophobicContact CB-CD2 4.49Å; I300-L302 HydrophobicContact CG2-CD2 3.92Å; I300-L302 PolarHBondContact O-N 3.16Å; L302-Q325 HydrophobicContact CD1-CG 4.07Å; L302-D376 WeakPolarHBondContact CD2-OD1 3.44Å; L302-I379 HydrophobicContact CD1-CD1 4.42Å; L302-I379 HydrophobicContact CD2-CD1 3.59Å; L302-F382 HydrophobicContact CD1-CE2 4.25Å; L302-F382 HydrophobicContact CD1-CZ 3.91Å
303C89.8Confident85.9Confident7 Ų737.3 Ų37.35%0.04720%0.197CC..EExtended strand (participates in β ladder)trans-164.9167.9-176.856.50000112V242 P715V242-C303 PolarHBondContact N-O 3.11Å; C303-P715 HydrophobicContact CB-CG 4.24Å
304I93.5Very high87.1Confident28 Ų2836 Ų3614%0.14419%0.191CC..EExtended strand (participates in β ladder)trans-97.8133.8166.2-61.9172.1000107.6Q239 A240 I330 R714 P715 V716 S717Q239-I304 HydrophobicContact CB-CG2 4.08Å; Q239-I304 HydrophobicContact CG-CG2 4.27Å; A240-I304 CarbonylContact O-C 3.6Å; A240-I304 WeakPolarHBondContact O-CA 3.17Å; I304-I330 HydrophobicContact CD1-CD1 4.12Å; I304-I330 HydrophobicContact CG1-CD1 4.3Å; I304-I330 HydrophobicContact CG2-CD1 3.78Å; I304-R714 HydrophobicContact CD1-CB 4.48Å; I304-P715 PolarHBondContact N-O 3.14Å; I304-V716 HydrophobicContact CB-CG2 4.48Å; I304-V716 WeakPolarHBondContact O-CA 3.5Å; I304-S717 PolarHBondContact O-N 3.2Å
305V92.6Very high88.3Confident2 Ų230 Ų301%0.01217%0.169CC..EExtended strand (participates in β ladder)trans-113145.3176.8-64.30000109.9I235 Q239 A240 V242 T309I235-V305 HydrophobicContact CD1-CB 4.29Å; I235-V305 HydrophobicContact CD1-CG2 3.6Å; Q239-V305 CarbonylContact C-O 3.58Å; Q239-V305 WeakPolarHBondContact CA-O 3.46Å; A240-V305 HydrophobicContact CB-CG2 3.85Å; A240-V305 PolarHBondContact N-O 2.61Å; A240-V305 VanDerWaalsContact O-CG2 3.27Å; A240-V305 WeakPolarHBondContact O-CG2 3.49Å; A240-V305 PolarHBondContact O-N 2.91Å; V242-V305 HydrophobicContact CG2-CB 4.3Å; V242-V305 HydrophobicContact CG2-CG1 3.56Å; V242-V305 HydrophobicContact CG2-CG2 3.75Å; V305-T309 HydrophobicContact CB-CG2 3.87Å; V305-T309 HydrophobicContact CG1-CG2 3.88Å
306G91.3Very high89.5Confident2 Ų229.4 Ų29.42%0.02116%0.158CC..  trans-137.1-160.2-17900000112.4T309G306-T309 VanDerWaalsContact O-CB 3.29Å; G306-T309 WeakPolarHBondContact O-CB 3.36Å; G306-T309 PolarHBondContact O-N 3.43Å; G306-T309 VanDerWaalsContact O-N 3.17Å; G306-T309 PolarHBondContact O-OG1 2.97Å
307P92.2Very high90.5Very high54 Ų5426.9 Ų26.935%0.35114%0.139SC..THydrogen-bonded Turntrans-53.2138.2-176.4-29.138.2000113.3I235 I236 G238 T309 T719I235-P307 CarbonylContact O-C 3.6Å; I235-P307 WeakPolarHBondContact O-CA 3.4Å; I236-P307 WeakPolarHBondContact O-CB 3.37Å; G238-P307 WeakPolarHBondContact O-CD 3.32Å; P307-T309 VanDerWaalsContact C-N 3.3Å; P307-T719 WeakPolarHBondContact O-CA 3.49Å; P307-T719 WeakPolarHBondContact O-CG2 3.35Å
308G87Confident91.5Very high13 Ų1327.8 Ų27.813%0.13414%0.142CC..THydrogen-bonded Turntrans81.72.4-177.700000114.8I235 Y720I235-G308 PolarHBondContact O-N 3.31Å; G308-Y720 WeakPolarHBondContact O-CA 3.49Å; G308-Y720 PolarHBondContact O-N 2.8Å; G308-Y720 VanDerWaalsContact O-N 3.1Å
309T92.3Very high92.2Very high11 Ų1130.3 Ų30.37%0.06716%0.16CC..  trans-80.2141.9169.4-51.20000110.5I235 V305 G306 P307 L311I235-T309 PolarHBondContact N-O 3.37Å; I235-T309 VanDerWaalsContact N-O 3.16Å; V305-T309 HydrophobicContact CB-CG2 3.87Å; V305-T309 HydrophobicContact CG1-CG2 3.88Å; G306-T309 VanDerWaalsContact O-CB 3.29Å; G306-T309 WeakPolarHBondContact O-CB 3.36Å; G306-T309 PolarHBondContact O-N 3.43Å; G306-T309 VanDerWaalsContact O-N 3.17Å; G306-T309 PolarHBondContact O-OG1 2.97Å; P307-T309 VanDerWaalsContact C-N 3.3Å; T309-L311 HydrophobicContact CG2-CD2 4.48Å
310I95.1Very high92.8Very high11 Ų1125.4 Ų25.46%0.05614%0.139CC..EExtended strand (participates in β ladder)trans-112.5118.5177.6-47.7175.8000108.4L195 L232 F234 E313L195-I310 HydrophobicContact CB-CD1 3.98Å; L195-I310 HydrophobicContact CD2-CD1 4.23Å; L232-I310 HydrophobicContact CB-CG2 4.43Å; L232-I310 HydrophobicContact CD2-CG2 4.1Å; F234-I310 HydrophobicContact CD1-CB 4.42Å; F234-I310 HydrophobicContact CD1-CD1 4.34Å; F234-I310 HydrophobicContact CD1-CG1 3.83Å; F234-I310 HydrophobicContact CD1-CG2 4.1Å; F234-I310 HydrophobicContact CE1-CB 4.44Å; F234-I310 HydrophobicContact CE1-CD1 3.97Å; F234-I310 HydrophobicContact CE1-CG1 3.91Å; F234-I310 HydrophobicContact CE1-CG2 3.79Å; F234-I310 HydrophobicContact CZ-CG2 4.38Å; I310-E313 HydrophobicContact CB-CB 4.24Å; I310-E313 HydrophobicContact CG2-CB 4.16Å; I310-E313 VanDerWaalsContact O-CD 3.3Å; I310-E313 WeakPolarHBondContact O-CG 3.47Å
311L95.4Very high93.1Very high20 Ų2032.6 Ų32.611%0.10517%0.17CC..EExtended strand (participates in β ladder)trans-93.4141.6170.2-53174.2000108.9L222 V223 L232 V233 T309 A327L222-L311 HydrophobicContact CB-CD1 3.84Å; L222-L311 HydrophobicContact CD1-CD1 3.88Å; V223-L311 HydrophobicContact CG1-CB 4.27Å; V223-L311 HydrophobicContact CG1-CD1 4.34Å; V223-L311 HydrophobicContact CG2-CD1 4.18Å; L232-L311 WeakPolarHBondContact CA-O 3.39Å; V233-L311 HydrophobicContact CB-CB 4.17Å; V233-L311 HydrophobicContact CB-CD1 4.44Å; V233-L311 PolarHBondContact N-O 3.13Å; V233-L311 PolarHBondContact O-N 2.99Å; T309-L311 HydrophobicContact CG2-CD2 4.48Å; L311-A327 HydrophobicContact CD1-CB 3.88Å; L311-A327 HydrophobicContact CD2-CB 4.36Å
312G94.9Very high93.4Very high2 Ų231.2 Ų31.22%0.02116%0.163CC..SBendtrans93.5-11.6-169.600000113.8F314 E315 Y316G312-F314 VanDerWaalsContact C-N 3.29Å; G312-F314 PolarHBondContact O-N 3.08Å; G312-E315 WeakPolarHBondContact CA-OE2 3.47Å; G312-E315 PolarHBondContact O-N 3.5Å; G312-Y316 VanDerWaalsContact O-CD2 3.32Å; G312-Y316 WeakPolarHBondContact O-CD2 3.1Å; G312-Y316 PolarHBondContact O-N 3.48Å
313E94.9Very high93.8Very high13 Ų1331.2 Ų31.26%0.06116%0.162CC..Hα-helixtrans-59.4-40.3-178.668.4-176.2-166.500112.3I310 G317 N366I310-E313 HydrophobicContact CB-CB 4.24Å; I310-E313 HydrophobicContact CG2-CB 4.16Å; I310-E313 VanDerWaalsContact O-CD 3.3Å; I310-E313 WeakPolarHBondContact O-CG 3.47Å; E313-G317 WeakPolarHBondContact O-CA 3.19Å; E313-G317 PolarHBondContact O-N 3.2Å; E313-N366 PolarHBondContact OE1-ND2 2.89Å; E313-N366 PolarHBondContact OE2-ND2 3.04Å; E313-N366 VanDerWaalsContact OE2-ND2 3.16Å
314F95.7Very high94Very high10 Ų1030.9 Ų30.94%0.04416%0.16CC..Hα-helixtrans-71.2-39.1179.6-67.5-60.1000111.6G312 G317 F318 M324 A363 N366 I367G312-F314 VanDerWaalsContact C-N 3.29Å; G312-F314 PolarHBondContact O-N 3.08Å; F314-G317 PolarHBondContact O-N 2.92Å; F314-F318 HydrophobicContact CB-CD2 4.28Å; F314-F318 HydrophobicContact CD1-CD2 4.32Å; F314-F318 AromaticContact CD1-CE2 3.76Å; F314-F318 HydrophobicContact CD1-CE2 3.76Å; F314-F318 WeakPolarHBondContact O-CB 3.34Å; F314-F318 WeakPolarHBondContact O-CD2 3.41Å; F314-F318 PolarHBondContact O-N 3.4Å; F314-M324 HydrophobicContact CB-CE 3.29Å; F314-M324 HydrophobicContact CD1-CE 3.76Å; F314-M324 HydrophobicContact CD2-CE 3.18Å; F314-M324 HydrophobicContact CE1-CE 4.33Å; F314-M324 HydrophobicContact CE2-CE 3.84Å; F314-M324 HydrophobicContact CG-CE 3.12Å; F314-M324 HydrophobicContact CZ-CE 4.36Å; F314-A363 HydrophobicContact CD1-CB 4.14Å; F314-A363 WeakPolarHBondContact CE1-O 3.35Å; F314-N366 HydrophobicContact CE1-CB 3.87Å; F314-N366 HydrophobicContact CZ-CB 3.84Å; F314-I367 HydrophobicContact CD1-CB 4.49Å; F314-I367 HydrophobicContact CE1-CB 3.89Å; F314-I367 HydrophobicContact CE1-CD1 4.08Å; F314-I367 HydrophobicContact CZ-CD1 4.43Å
315E96Very high94.1Very high9 Ų930.2 Ų30.24%0.04216%0.156CC..Hα-helixtrans-65.4-46.1-179.5-70.875.6-160.600111.6V229 G312 N319 L320 T322 Y323 M324V229-E315 HydrophobicContact CB-CB 4.43Å; V229-E315 HydrophobicContact CG1-CB 4.06Å; V229-E315 HydrophobicContact CG2-CB 3.58Å; V229-E315 HydrophobicContact CG2-CG 3.53Å; G312-E315 WeakPolarHBondContact CA-OE2 3.47Å; G312-E315 PolarHBondContact O-N 3.5Å; E315-N319 CarbonylContact O-C 3.58Å; E315-N319 VanDerWaalsContact O-CA 3.26Å; E315-N319 WeakPolarHBondContact O-CA 3.37Å; E315-N319 PolarHBondContact O-N 3.48Å; E315-L320 HydrophobicContact CB-CB 4.39Å; E315-L320 HydrophobicContact CG-CB 4.28Å; E315-L320 PolarHBondContact O-N 3.27Å; E315-T322 WeakPolarHBondContact CG-O 3.48Å; E315-Y323 HydrophobicContact CG-CD1 4.09Å; E315-Y323 WeakPolarHBondContact OE1-CA 3.41Å; E315-M324 VanDerWaalsContact OE1-CG 3.26Å; E315-M324 WeakPolarHBondContact OE1-CG 3.46Å; E315-M324 PolarHBondContact OE1-N 3.33Å
316Y95.5Very high94.2Very high43 Ų4331.1 Ų31.117%0.16916%0.162CC..Hα-helixtrans-71.9-37.2173.5-74.4-75.4000112.8V229 L232 G312 G340 F343 E344 I359V229-Y316 HydrophobicContact CG1-CD2 4.32Å; V229-Y316 HydrophobicContact CG1-CE2 3.71Å; L232-Y316 HydrophobicContact CD2-CD2 3.54Å; L232-Y316 HydrophobicContact CD2-CE2 3.86Å; L232-Y316 HydrophobicContact CG-CD2 4.16Å; L232-Y316 HydrophobicContact CG-CE2 4.09Å; G312-Y316 VanDerWaalsContact O-CD2 3.32Å; G312-Y316 WeakPolarHBondContact O-CD2 3.1Å; G312-Y316 PolarHBondContact O-N 3.48Å; Y316-G340 WeakPolarHBondContact OH-CA 3.49Å; Y316-F343 AromaticContact CD1-CD1 3.76Å; Y316-F343 HydrophobicContact CD1-CD1 3.76Å; Y316-F343 AromaticContact CD1-CE1 3.54Å; Y316-F343 HydrophobicContact CD1-CE1 3.54Å; Y316-F343 HydrophobicContact CD2-CD1 4.09Å; Y316-F343 AromaticContact CD2-CE1 3.93Å; Y316-F343 HydrophobicContact CD2-CE1 3.93Å; Y316-F343 AromaticContact CE1-CD1 3.54Å; Y316-F343 HydrophobicContact CE1-CD1 3.54Å; Y316-F343 AromaticContact CE1-CE1 3.86Å; Y316-F343 HydrophobicContact CE1-CE1 3.86Å; Y316-F343 AromaticContact CE2-CD1 3.9Å; Y316-F343 HydrophobicContact CE2-CD1 3.9Å; Y316-F343 HydrophobicContact CE2-CE1 4.23Å; Y316-F343 HydrophobicContact CG-CD1 4.03Å; Y316-F343 AromaticContact CG-CE1 3.58Å; Y316-F343 HydrophobicContact CG-CE1 3.58Å; Y316-F343 AromaticContact CZ-CD1 3.61Å; Y316-E344 HydrophobicContact CE1-CG 4.07Å; Y316-I359 VanDerWaalsContact CB-CD1 3.49Å; Y316-I359 HydrophobicContact CD2-CD1 4.46Å; Y316-I359 HydrophobicContact CG-CD1 4.21Å
317G93.9Very high94.5Very high10 Ų1031 Ų3110%0.10316%0.161CC..Hα-helixtrans-67.7-34.9-17900000114.2E313 F314E313-G317 WeakPolarHBondContact O-CA 3.19Å; E313-G317 PolarHBondContact O-N 3.2Å; F314-G317 PolarHBondContact O-N 2.92Å
318F95Very high94.7Very high37 Ų3730.5 Ų30.516%0.16216%0.155CC..THydrogen-bonded Turntrans-106.37.8178-59.7-57.4000113.9F314 L320 A363 E364 I367 L385 I389F314-F318 HydrophobicContact CB-CD2 4.28Å; F314-F318 HydrophobicContact CD1-CD2 4.32Å; F314-F318 AromaticContact CD1-CE2 3.76Å; F314-F318 HydrophobicContact CD1-CE2 3.76Å; F314-F318 WeakPolarHBondContact O-CB 3.34Å; F314-F318 WeakPolarHBondContact O-CD2 3.41Å; F314-F318 PolarHBondContact O-N 3.4Å; F318-L320 HydrophobicContact CB-CD1 4.4Å; F318-L320 HydrophobicContact CB-CD2 4.48Å; F318-L320 HydrophobicContact CB-CG 4.06Å; F318-L320 PolarHBondContact O-N 2.97Å; F318-A363 HydrophobicContact CE2-CB 4.12Å; F318-A363 HydrophobicContact CZ-CB 4.23Å; F318-E364 HydrophobicContact CE1-CG 3.97Å; F318-E364 HydrophobicContact CZ-CG 4.33Å; F318-I367 HydrophobicContact CE2-CB 4.18Å; F318-I367 HydrophobicContact CE2-CG1 4.49Å; F318-I367 HydrophobicContact CE2-CG2 4.14Å; F318-I367 HydrophobicContact CZ-CB 4.15Å; F318-I367 HydrophobicContact CZ-CG2 3.61Å; F318-L385 HydrophobicContact CB-CD2 3.88Å; F318-L385 HydrophobicContact CD1-CD2 4.07Å; F318-L385 HydrophobicContact CD2-CD1 3.73Å; F318-L385 HydrophobicContact CD2-CD2 4.01Å; F318-L385 HydrophobicContact CD2-CG 4.34Å; F318-L385 HydrophobicContact CE2-CB 4.46Å; F318-L385 HydrophobicContact CE2-CD1 3.93Å; F318-L385 HydrophobicContact CG-CD1 4.32Å; F318-L385 HydrophobicContact CG-CD2 3.73Å; F318-L385 HydrophobicContact CG-CG 4.5Å; F318-L385 HydrophobicContact CZ-CB 4.47Å; F318-I389 HydrophobicContact CE1-CD1 3.9Å; F318-I389 HydrophobicContact CE1-CG1 4.06Å; F318-I389 HydrophobicContact CZ-CD1 3.97Å
319N93.3Very high95.2Very high145 Ų14530 Ų3078%0.77515%0.149SC*.THydrogen-bonded Turntrans55.644.8-179.5-166.639.3000113.5E315E315-N319 CarbonylContact O-C 3.58Å; E315-N319 VanDerWaalsContact O-CA 3.26Å; E315-N319 WeakPolarHBondContact O-CA 3.37Å; E315-N319 PolarHBondContact O-N 3.48Å
320L94.5Very high95.3Very high17 Ų1732.1 Ų32.19%0.08916%0.159CC..  trans-90.4136175-51.5176.1000110Y253 E315 F318 M324Y253-L320 HydrophobicContact CD1-CD2 4.49Å; Y253-L320 HydrophobicContact CE1-CB 4.13Å; Y253-L320 HydrophobicContact CE1-CD2 4.07Å; E315-L320 HydrophobicContact CB-CB 4.39Å; E315-L320 HydrophobicContact CG-CB 4.28Å; E315-L320 PolarHBondContact O-N 3.27Å; F318-L320 HydrophobicContact CB-CD1 4.4Å; F318-L320 HydrophobicContact CB-CD2 4.48Å; F318-L320 HydrophobicContact CB-CG 4.06Å; F318-L320 PolarHBondContact O-N 2.97Å; L320-M324 HydrophobicContact CD1-CB 4.41Å
321K93Very high95.3Very high181 Ų18135.6 Ų35.679%0.78718%0.175SC*.SBendtrans-82.1-18.4-175.9-63.2-178.2179.9176.40114.5V229V229-K321 PolarHBondContact N-O 3.41Å; V229-K321 VanDerWaalsContact N-O 3.11Å
322T96.1Very high95.3Very high28 Ų2838.6 Ų38.617%0.17220%0.198CC..BIsolated β-bridgetrans-132.2153.1-175.7490000109.7E226 E227 Q252 Y253 E315 M324E226-T322 WeakPolarHBondContact O-CG2 3.16Å; E227-T322 CarbonylContact O-C 3.6Å; E227-T322 WeakPolarHBondContact O-CA 3.19Å; E227-T322 WeakPolarHBondContact O-CB 3.44Å; Q252-T322 VanDerWaalsContact CG-OG1 3.23Å; Q252-T322 WeakPolarHBondContact CG-OG1 3.3Å; Q252-T322 PolarHBondContact NE2-OG1 3.38Å; Y253-T322 PolarHBondContact OH-O 2.85Å; E315-T322 WeakPolarHBondContact CG-O 3.48Å; T322-M324 PolarHBondContact O-N 3.14Å
323Y97.3Very high95.4Very high13 Ų1338.5 Ų38.55%0.05120%0.197CC..  trans-65.4128.8179.2-68.1-71.6000110.9V223 R224 Q225 E226 E227 P228 V229 N230 G231 Q252 E315 Q325V223-Y323 HydrophobicContact CB-CD1 4.07Å; V223-Y323 HydrophobicContact CB-CD2 4.09Å; V223-Y323 HydrophobicContact CB-CE1 4.21Å; V223-Y323 HydrophobicContact CB-CE2 4.22Å; V223-Y323 HydrophobicContact CB-CG 4.02Å; V223-Y323 HydrophobicContact CG1-CD1 4.14Å; V223-Y323 HydrophobicContact CG1-CD2 4.44Å; V223-Y323 HydrophobicContact CG1-CE1 3.77Å; V223-Y323 HydrophobicContact CG1-CE2 4.1Å; V223-Y323 HydrophobicContact CG1-CG 4.47Å; V223-Y323 HydrophobicContact CG2-CD1 4.36Å; R224-Y323 WeakPolarHBondContact O-CB 3.44Å; Q225-Y323 VanDerWaalsContact CA-O 3.29Å; Q225-Y323 WeakPolarHBondContact CA-O 3.37Å; E226-Y323 PolarHBondContact N-O 3.19Å; E226-Y323 VanDerWaalsContact N-O 3.09Å; E227-Y323 HydrophobicContact CB-CD2 4.28Å; E227-Y323 WeakPolarHBondContact O-CD2 3.4Å; E227-Y323 PolarHBondContact O-N 2.91Å; P228-Y323 WeakPolarHBondContact O-CE2 3.38Å; V229-Y323 HydrophobicContact CG1-CE1 4.22Å; V229-Y323 HydrophobicContact CG2-CD1 4.22Å; V229-Y323 HydrophobicContact CG2-CD2 4.48Å; V229-Y323 HydrophobicContact CG2-CE1 4.24Å; V229-Y323 HydrophobicContact CG2-CE2 4.5Å; V229-Y323 HydrophobicContact CG2-CG 4.34Å; N230-Y323 PolarHBondContact N-OH 3.28Å; G231-Y323 PolarHBondContact O-OH 3.43Å; G231-Y323 VanDerWaalsContact O-OH 3.08Å; Q252-Y323 PolarHBondContact NE2-O 3.06Å; E315-Y323 HydrophobicContact CG-CD1 4.09Å; E315-Y323 WeakPolarHBondContact OE1-CA 3.41Å; Y323-Q325 VanDerWaalsContact C-N 3.29Å; Y323-Q325 PolarHBondContact O-N 2.93Å
324M94.8Very high95.5Very high0 Ų038.9 Ų38.90%020%0.202CC..SBendtrans-79.5-12.1-17960.8154174.800114V244 H249 Y253 F314 E315 L320 T322 I367 L381 F382 L385V244-M324 WeakPolarHBondContact CG2-O 3.44Å; H249-M324 PolarHBondContact NE2-O 2.86Å; Y253-M324 HydrophobicContact CE2-CB 4.49Å; F314-M324 HydrophobicContact CB-CE 3.29Å; F314-M324 HydrophobicContact CD1-CE 3.76Å; F314-M324 HydrophobicContact CD2-CE 3.18Å; F314-M324 HydrophobicContact CE1-CE 4.33Å; F314-M324 HydrophobicContact CE2-CE 3.84Å; F314-M324 HydrophobicContact CG-CE 3.12Å; F314-M324 HydrophobicContact CZ-CE 4.36Å; E315-M324 VanDerWaalsContact OE1-CG 3.26Å; E315-M324 WeakPolarHBondContact OE1-CG 3.46Å; E315-M324 PolarHBondContact OE1-N 3.33Å; L320-M324 HydrophobicContact CD1-CB 4.41Å; T322-M324 PolarHBondContact O-N 3.14Å; M324-I367 HydrophobicContact CE-CD1 4.31Å; M324-L381 HydrophobicContact CB-CD2 3.67Å; M324-L381 HydrophobicContact CG-CD2 4.44Å; M324-L381 HydrophobicContact SD-CD2 3.86Å; M324-F382 HydrophobicContact CE-CE1 3.99Å; M324-F382 HydrophobicContact SD-CD1 4.2Å; M324-F382 HydrophobicContact SD-CE1 3.59Å; M324-F382 VanDerWaalsContact SD-CE1 3.59Å; M324-L385 HydrophobicContact SD-CD1 4.39Å
325Q94.6Very high95.6Very high13 Ų1338.4 Ų38.46%0.06120%0.199CC..SBendtrans-142.1160.2-174-64.9165.346.500110.5Q225 V242 V244 L302 Y323Q225-Q325 PolarHBondContact N-O 2.81Å; V242-Q325 HydrophobicContact CG1-CB 3.91Å; V242-Q325 HydrophobicContact CG1-CG 4.36Å; V244-Q325 HydrophobicContact CB-CG 4.31Å; V244-Q325 HydrophobicContact CG2-CG 4.32Å; L302-Q325 HydrophobicContact CD1-CG 4.07Å; Y323-Q325 VanDerWaalsContact C-N 3.29Å; Y323-Q325 PolarHBondContact O-N 2.93Å
326T96.5Very high95.6Very high21 Ų2138.6 Ų38.613%0.12920%0.2CC..EExtended strand (participates in β ladder)trans-106.4134.2173.1-570000109.3V223 R224 Q225 V242 S243 I328V223-T326 CarbonylContact O-C 3.57Å; V223-T326 WeakPolarHBondContact O-CA 3.47Å; R224-T326 HydrophobicContact CB-CG2 4.47Å; R224-T326 HydrophobicContact CG-CG2 4.24Å; Q225-T326 WeakPolarHBondContact CB-OG1 3.4Å; Q225-T326 PolarHBondContact N-OG1 3.38Å; V242-T326 CarbonylContact C-O 3.56Å; V242-T326 WeakPolarHBondContact CA-O 3.29Å; S243-T326 PolarHBondContact N-O 3.45Å; S243-T326 PolarHBondContact O-N 3.43Å; T326-I328 HydrophobicContact CG2-CD1 4.18Å; T326-I328 HydrophobicContact CG2-CG1 3.85Å
327A96.4Very high95.7Very high1 Ų138.9 Ų38.91%0.00820%0.204CC..EExtended strand (participates in β ladder)trans-118.7123.1173.100000110.1L222 V223 Q241 V242 L311L222-A327 HydrophobicContact CB-CB 4.29Å; L222-A327 PolarHBondContact N-O 3.23Å; V223-A327 HydrophobicContact CG2-CB 3.89Å; V223-A327 PolarHBondContact O-N 3.03Å; Q241-A327 WeakPolarHBondContact O-CA 3.44Å; V242-A327 HydrophobicContact CG2-CB 4.2Å; L311-A327 HydrophobicContact CD1-CB 3.88Å; L311-A327 HydrophobicContact CD2-CB 4.36Å
328I96.6Very high95.8Very high43 Ų4338.4 Ų38.422%0.22120%0.199CC..EExtended strand (participates in β ladder)trans-119.8131.8-176.5-50.8-172.7000109.1N221 A240 Q241 T326 I330N221-I328 WeakPolarHBondContact OD1-CG1 3.21Å; A240-I328 CarbonylContact C-O 3.41Å; A240-I328 WeakPolarHBondContact CA-O 3.35Å; A240-I328 WeakPolarHBondContact CB-O 3.36Å; Q241-I328 PolarHBondContact N-O 2.77Å; Q241-I328 PolarHBondContact O-N 3.36Å; T326-I328 HydrophobicContact CG2-CD1 4.18Å; T326-I328 HydrophobicContact CG2-CG1 3.85Å; I328-I330 PolarHBondContact O-N 3.37Å
329C97.1Very high95.7Very high1 Ų137.8 Ų37.81%0.00720%0.203CC..EExtended strand (participates in β ladder)trans-63.6126.9178.5-59.50000110.7P217 E219 A220 L222 E331P217-C329 WeakPolarHBondContact O-CB 3.32Å; E219-C329 WeakPolarHBondContact CA-O 3.02Å; E219-C329 PolarHBondContact N-O 2.75Å; A220-C329 PolarHBondContact O-N 3.15Å; A220-C329 PolarHBondContact O-SG 2.91Å; L222-C329 VanDerWaalsContact CD2-SG 3.58Å; C329-E331 WeakPolarHBondContact CB-O 3.38Å
330I95.1Very high95.7Very high56 Ų5631.3 Ų31.329%0.28717%0.17SC..SBendtrans-101.2-7.8172.257.4166.8000112.3F218 Q239 Q241 I304 I328F218-I330 VanDerWaalsContact CD2-C 3.43Å; F218-I330 WeakPolarHBondContact CD2-O 3.33Å; F218-I330 WeakPolarHBondContact CE2-O 3.18Å; Q239-I330 HydrophobicContact CB-CD1 3.91Å; Q239-I330 HydrophobicContact CB-CG1 3.79Å; Q239-I330 VanDerWaalsContact O-CG1 3.3Å; Q239-I330 WeakPolarHBondContact O-CG1 3.35Å; Q239-I330 PolarHBondContact O-N 3.39Å; Q241-I330 HydrophobicContact CB-CG2 3.64Å; I304-I330 HydrophobicContact CD1-CD1 4.12Å; I304-I330 HydrophobicContact CG1-CD1 4.3Å; I304-I330 HydrophobicContact CG2-CD1 3.78Å; I328-I330 PolarHBondContact O-N 3.37Å
331E93.9Very high95.6Very high84 Ų8438.2 Ų38.239%0.39320%0.195SC..SBendtrans-145.2168.1167.660.9-177.1171.200108.7G238 Q239 C329 T333G238-E331 WeakPolarHBondContact CA-OE1 3.43Å; Q239-E331 HydrophobicContact CB-CG 3.97Å; Q239-E331 VanDerWaalsContact CB-OE1 3.25Å; Q239-E331 WeakPolarHBondContact CB-OE1 3.46Å; Q239-E331 WeakPolarHBondContact CG-OE1 3.23Å; Q239-E331 PolarHBondContact N-OE1 2.93Å; Q239-E331 PolarHBondContact O-N 3.46Å; C329-E331 WeakPolarHBondContact CB-O 3.38Å; E331-T333 PolarHBondContact O-N 2.86Å; E331-T333 VanDerWaalsContact O-N 3.09Å; E331-T333 PolarHBondContact O-OG1 2.86Å
332S96.3Very high95.6Very high84 Ų8430.4 Ų30.459%0.58716%0.162SC*.  trans-57.7118.7173-169.30000109.1F216F216-S332 CarbonylContact O-C 3.52Å; F216-S332 WeakPolarHBondContact O-CA 3.46Å
333T97Very high95.5Very high0 Ų029.1 Ų29.10%015%0.154CC..EExtended strand (participates in β ladder)trans-121123-167.9-60.50000110.3F216 L222 I235 S237 Q239 E331 T335F216-T333 PolarHBondContact N-O 3.44Å; F216-T333 PolarHBondContact O-N 2.83Å; L222-T333 HydrophobicContact CD1-CG2 4.4Å; I235-T333 HydrophobicContact CG2-CG2 3.87Å; S237-T333 CarbonylContact O-C 3.52Å; S237-T333 WeakPolarHBondContact O-CA 3.4Å; S237-T333 WeakPolarHBondContact O-CG2 3.34Å; Q239-T333 PolarHBondContact N-OG1 3.22Å; Q239-T333 PolarHBondContact O-OG1 3.34Å; E331-T333 PolarHBondContact O-N 2.86Å; E331-T333 VanDerWaalsContact O-N 3.09Å; E331-T333 PolarHBondContact O-OG1 2.86Å; T333-T335 HydrophobicContact CG2-CG2 4.03Å
334S97Very high95.3Very high21 Ų2132.5 Ų32.515%0.14717%0.17CC..EExtended strand (participates in β ladder)trans-95.6139.9173.7-55.60000109.6D215 I236 S237D215-S334 WeakPolarHBondContact OD1-CB 3.21Å; D215-S334 PolarHBondContact OD1-OG 3.26Å; I236-S334 WeakPolarHBondContact CG1-O 3.47Å; I236-S334 PolarHBondContact N-O 2.98Å; S237-S334 PolarHBondContact N-O 3.25Å; S237-S334 PolarHBondContact O-N 2.99Å; S237-S334 VanDerWaalsContact OG-CB 3.26Å; S237-S334 WeakPolarHBondContact OG-CB 3.33Å; S237-S334 PolarHBondContact OG-OG 2.92Å
335T97.1Very high95.1Very high0 Ų033.5 Ų33.50%017%0.174CC..EExtended strand (participates in β ladder)trans-138.2157.5-175.868.40000112.3Q213 T214 F216 L222 V233 F234 I235 T333Q213-T335 CarbonylContact C-O 3.54Å; Q213-T335 WeakPolarHBondContact CA-O 3.4Å; T214-T335 PolarHBondContact N-O 3.44Å; T214-T335 PolarHBondContact O-N 3.36Å; T214-T335 PolarHBondContact O-OG1 2.94Å; F216-T335 HydrophobicContact CD2-CG2 4.02Å; F216-T335 HydrophobicContact CE2-CG2 4.24Å; F216-T335 VanDerWaalsContact CE2-OG1 3.28Å; F216-T335 WeakPolarHBondContact CE2-OG1 3.33Å; L222-T335 HydrophobicContact CD2-CG2 3.93Å; V233-T335 HydrophobicContact CG1-CG2 3.94Å; F234-T335 CarbonylContact O-C 3.55Å; F234-T335 WeakPolarHBondContact O-CA 3.39Å; F234-T335 VanDerWaalsContact O-CB 3.29Å; F234-T335 WeakPolarHBondContact O-CB 3.26Å; I235-T335 HydrophobicContact CG1-CG2 4.48Å; T333-T335 HydrophobicContact CG2-CG2 4.03Å
336Y97.5Very high95Very high13 Ų1332.9 Ų32.95%0.05117%0.171CC..EExtended strand (participates in β ladder)trans-102.9133.1157.7-75.5-59.2000109.6R186 F189 L211 V212 Q213 F234 I236R186-Y336 HydrophobicContact CG-CE1 3.71Å; F189-Y336 HydrophobicContact CB-CD2 4.39Å; F189-Y336 HydrophobicContact CB-CE2 3.9Å; F189-Y336 AromaticContact CD1-CD2 3.64Å; F189-Y336 HydrophobicContact CD1-CD2 3.64Å; F189-Y336 HydrophobicContact CD1-CE2 4.01Å; F189-Y336 AromaticContact CD2-CD2 4Å; F189-Y336 HydrophobicContact CD2-CD2 4Å; F189-Y336 HydrophobicContact CD2-CE2 4.08Å; F189-Y336 AromaticContact CE1-CD2 3.9Å; F189-Y336 HydrophobicContact CE1-CD2 3.9Å; F189-Y336 HydrophobicContact CE2-CD2 4.24Å; F189-Y336 AromaticContact CG-CD2 3.71Å; F189-Y336 HydrophobicContact CG-CD2 3.71Å; F189-Y336 AromaticContact CG-CE2 3.69Å; F189-Y336 HydrophobicContact CG-CE2 3.69Å; F189-Y336 HydrophobicContact CZ-CD2 4.21Å; L211-Y336 HydrophobicContact CB-CD1 4.15Å; L211-Y336 HydrophobicContact CD1-CD1 4.46Å; L211-Y336 HydrophobicContact CD1-CD2 4.46Å; L211-Y336 HydrophobicContact CD1-CG 4.22Å; V212-Y336 WeakPolarHBondContact O-CA 3.29Å; Q213-Y336 HydrophobicContact CB-CD1 3.96Å; Q213-Y336 HydrophobicContact CB-CE1 3.73Å; Q213-Y336 HydrophobicContact CG-CD1 4.43Å; Q213-Y336 HydrophobicContact CG-CE1 4.16Å; F234-Y336 WeakPolarHBondContact CD2-O 3.43Å; F234-Y336 PolarHBondContact N-O 3.2Å; F234-Y336 PolarHBondContact O-N 2.83Å; I236-Y336 HydrophobicContact CD1-CE2 4.36Å; I236-Y336 HydrophobicContact CG2-CD2 3.45Å; I236-Y336 VanDerWaalsContact CG2-CD2 3.45Å; I236-Y336 HydrophobicContact CG2-CE2 3.77Å; I236-Y336 HydrophobicContact CG2-CG 4.37Å
337I96.3Very high94.7Very high48 Ų4832.1 Ų32.125%0.24617%0.166CC..EExtended strand (participates in β ladder)trans-108.8124.4175.8-56.6177.4000108.5V212 T214 F216 V233V212-I337 PolarHBondContact N-O 3.48Å; V212-I337 PolarHBondContact O-N 3.16Å; T214-I337 HydrophobicContact CG2-CD1 4.3Å; F216-I337 HydrophobicContact CE2-CD1 4.21Å; F216-I337 HydrophobicContact CZ-CD1 4.1Å; V233-I337 HydrophobicContact CG1-CG1 4.44Å; V233-I337 HydrophobicContact CG2-CG1 4.41Å
338L96.2Very high94.4Very high0 Ų038.5 Ų38.50%020%0.196CC..EExtended strand (participates in β ladder)trans-107.3104.4170.2-177.460.2000108.8F196 S210 L211 G231 L232 F234 N342 F343F196-L338 HydrophobicContact CE1-CD2 4.33Å; F196-L338 HydrophobicContact CZ-CD2 4.23Å; S210-L338 WeakPolarHBondContact OG-CD1 3.43Å; L211-L338 HydrophobicContact CD2-CB 3.77Å; L211-L338 HydrophobicContact CD2-CD1 4.16Å; L211-L338 HydrophobicContact CD2-CG 4.42Å; G231-L338 CarbonylContact C-O 3.47Å; G231-L338 WeakPolarHBondContact CA-O 3.45Å; L232-L338 HydrophobicContact CB-CB 4.38Å; L232-L338 PolarHBondContact N-O 3.16Å; L232-L338 PolarHBondContact O-N 3.01Å; F234-L338 HydrophobicContact CE2-CB 3.85Å; F234-L338 HydrophobicContact CE2-CD2 4.48Å; L338-N342 HydrophobicContact CD1-CB 4.17Å; L338-F343 HydrophobicContact CD2-CB 4.05Å; L338-F343 HydrophobicContact CD2-CD2 3.72Å; L338-F343 HydrophobicContact CD2-CG 4.31Å; L338-F343 HydrophobicContact CG-CB 4.08Å
339G93.9Very high94.1Very high25 Ų2536.7 Ų36.726%0.25819%0.187SC..EExtended strand (participates in β ladder)trans-58.4145.1-177.700000113.1N230 R341 N342 F343N230-G339 CarbonylContact O-C 3.57Å; G339-R341 PolarHBondContact O-N 3.13Å; G339-N342 WeakPolarHBondContact O-CA 3.45Å; G339-N342 WeakPolarHBondContact O-CB 3.49Å; G339-N342 PolarHBondContact O-N 3.5Å; G339-F343 PolarHBondContact O-N 2.8Å
340G93.4Very high93.7Very high8 Ų845.9 Ų45.98%0.08222%0.222CC..Hα-helixtrans-59.4-43.9-171.300000113.1N230 Y316 N342 F343 E344N230-G340 PolarHBondContact O-N 2.85Å; Y316-G340 WeakPolarHBondContact OH-CA 3.49Å; G340-N342 VanDerWaalsContact C-N 3.26Å; G340-N342 PolarHBondContact O-N 3.43Å; G340-F343 PolarHBondContact O-N 3.17Å; G340-E344 VanDerWaalsContact O-CB 3.31Å; G340-E344 WeakPolarHBondContact O-CB 3.43Å; G340-E344 VanDerWaalsContact O-CG 3.25Å; G340-E344 WeakPolarHBondContact O-CG 3.33Å; G340-E344 PolarHBondContact O-N 3.1Å
341R91.2Very high93.3Very high162 Ų16246 Ų4661%0.61122%0.218SC*.Hα-helixtrans-57.7-39.6175.1-62.4-177.4-170160.92.7112.7G339 R345G339-R341 PolarHBondContact O-N 3.13Å; R341-R345 VanDerWaalsContact O-CB 3.31Å; R341-R345 WeakPolarHBondContact O-CB 3.37Å; R341-R345 PolarHBondContact O-N 3.17Å; R341-R345 VanDerWaalsContact O-N 3.15Å
342N92.6Very high93.2Very high17 Ų1742.4 Ų42.49%0.09120%0.202CC..Hα-helixtrans-71.2-44.8178.7-69.5-28.9000110.7V130 L338 G339 G340 L346V130-N342 WeakPolarHBondContact CG1-OD1 3.44Å; V130-N342 PolarHBondContact O-OD1 3.44Å; L338-N342 HydrophobicContact CD1-CB 4.17Å; G339-N342 WeakPolarHBondContact O-CA 3.45Å; G339-N342 WeakPolarHBondContact O-CB 3.49Å; G339-N342 PolarHBondContact O-N 3.5Å; G340-N342 VanDerWaalsContact C-N 3.26Å; G340-N342 PolarHBondContact O-N 3.43Å; N342-L346 WeakPolarHBondContact O-CB 3.27Å; N342-L346 WeakPolarHBondContact O-CG 3.49Å; N342-L346 PolarHBondContact O-N 2.86Å; N342-L346 VanDerWaalsContact O-N 3.14Å
343F94.6Very high92.8Very high1 Ų143.5 Ų43.50%0.00421%0.207CC..Hα-helixtrans-61.7-50.6176.9-179.8-109.2000112L195 L232 Y316 L338 G339 G340 R345 L346 I347 I359L195-F343 HydrophobicContact CD2-CE2 4.47Å; L232-F343 HydrophobicContact CD1-CD1 4.36Å; L232-F343 HydrophobicContact CD1-CD2 3.62Å; L232-F343 HydrophobicContact CD1-CE1 4.29Å; L232-F343 HydrophobicContact CD1-CE2 3.53Å; L232-F343 HydrophobicContact CD1-CG 4.05Å; L232-F343 HydrophobicContact CD1-CZ 3.9Å; L232-F343 HydrophobicContact CG-CD2 4.44Å; L232-F343 HydrophobicContact CG-CG 4.4Å; Y316-F343 AromaticContact CD1-CD1 3.76Å; Y316-F343 HydrophobicContact CD1-CD1 3.76Å; Y316-F343 AromaticContact CD1-CE1 3.54Å; Y316-F343 HydrophobicContact CD1-CE1 3.54Å; Y316-F343 HydrophobicContact CD2-CD1 4.09Å; Y316-F343 AromaticContact CD2-CE1 3.93Å; Y316-F343 HydrophobicContact CD2-CE1 3.93Å; Y316-F343 AromaticContact CE1-CD1 3.54Å; Y316-F343 HydrophobicContact CE1-CD1 3.54Å; Y316-F343 AromaticContact CE1-CE1 3.86Å; Y316-F343 HydrophobicContact CE1-CE1 3.86Å; Y316-F343 AromaticContact CE2-CD1 3.9Å; Y316-F343 HydrophobicContact CE2-CD1 3.9Å; Y316-F343 HydrophobicContact CE2-CE1 4.23Å; Y316-F343 HydrophobicContact CG-CD1 4.03Å; Y316-F343 AromaticContact CG-CE1 3.58Å; Y316-F343 HydrophobicContact CG-CE1 3.58Å; Y316-F343 AromaticContact CZ-CD1 3.61Å; L338-F343 HydrophobicContact CD2-CB 4.05Å; L338-F343 HydrophobicContact CD2-CD2 3.72Å; L338-F343 HydrophobicContact CD2-CG 4.31Å; L338-F343 HydrophobicContact CG-CB 4.08Å; G339-F343 PolarHBondContact O-N 2.8Å; G340-F343 PolarHBondContact O-N 3.17Å; F343-R345 VanDerWaalsContact C-N 3.35Å; F343-R345 PolarHBondContact O-N 2.81Å; F343-L346 PolarHBondContact O-N 3.09Å; F343-L346 VanDerWaalsContact O-N 3.1Å; F343-I347 HydrophobicContact CD1-CG2 4.48Å; F343-I347 HydrophobicContact CE1-CB 4.27Å; F343-I347 HydrophobicContact CE1-CG1 4.35Å; F343-I347 HydrophobicContact CE1-CG2 4.14Å; F343-I347 HydrophobicContact CE2-CB 4.27Å; F343-I347 HydrophobicContact CE2-CD1 3.89Å; F343-I347 HydrophobicContact CE2-CG1 4.32Å; F343-I347 HydrophobicContact CZ-CB 4.02Å; F343-I347 HydrophobicContact CZ-CD1 3.75Å; F343-I347 HydrophobicContact CZ-CG1 3.83Å; F343-I347 HydrophobicContact CZ-CG2 4.39Å; F343-I347 WeakPolarHBondContact O-CB 3.38Å; F343-I347 WeakPolarHBondContact O-CG2 3.41Å; F343-I347 PolarHBondContact O-N 2.74Å; F343-I359 HydrophobicContact CE1-CD1 3.85Å; F343-I359 HydrophobicContact CE2-CD1 4.34Å; F343-I359 HydrophobicContact CZ-CD1 3.4Å
344E92.3Very high92.3Very high85 Ų8548 Ų4840%0.39723%0.231SC..Hα-helixtrans-57.3-45.8179.5-74.1171.7-179.600111.7Y316 G340 L346 I347 Q348Y316-E344 HydrophobicContact CE1-CG 4.07Å; G340-E344 VanDerWaalsContact O-CB 3.31Å; G340-E344 WeakPolarHBondContact O-CB 3.43Å; G340-E344 VanDerWaalsContact O-CG 3.25Å; G340-E344 WeakPolarHBondContact O-CG 3.33Å; G340-E344 PolarHBondContact O-N 3.1Å; E344-L346 VanDerWaalsContact C-N 3.32Å; E344-L346 PolarHBondContact O-N 3.37Å; E344-I347 WeakPolarHBondContact O-CG2 3.23Å; E344-I347 PolarHBondContact O-N 3.31Å; E344-Q348 WeakPolarHBondContact O-CB 3.15Å; E344-Q348 WeakPolarHBondContact O-CG 3.34Å; E344-Q348 PolarHBondContact O-N 3.09Å
345R90.9Very high91.9Very high21 Ų2147 Ų478%0.07922%0.224CC..Hα-helixtrans-60.3-40.7175.9178179.463116.9-7.1112.7T92 N128 R341 F343 S349T92-R345 PolarHBondContact OG1-NH1 3.04Å; N128-R345 HydrophobicContact CB-CG 4.31Å; R341-R345 VanDerWaalsContact O-CB 3.31Å; R341-R345 WeakPolarHBondContact O-CB 3.37Å; R341-R345 PolarHBondContact O-N 3.17Å; R341-R345 VanDerWaalsContact O-N 3.15Å; F343-R345 VanDerWaalsContact C-N 3.35Å; F343-R345 PolarHBondContact O-N 2.81Å; R345-S349 PolarHBondContact O-N 3.49Å
346L92.3Very high91.6Very high0 Ų051.6 Ų51.60%025%0.248CC..Hα-helixtrans-78-35.1-177.8-66.8171.9000112.6T92 W199 L203 Q206 A207 N342 F343 E344 S349 N352T92-L346 HydrophobicContact CG2-CD2 4.33Å; W199-L346 HydrophobicContact CH2-CB 3.95Å; W199-L346 HydrophobicContact CZ3-CB 3.78Å; W199-L346 HydrophobicContact CZ3-CD1 4.35Å; L203-L346 HydrophobicContact CD2-CD2 3.93Å; Q206-L346 HydrophobicContact CB-CD2 3.69Å; Q206-L346 VanDerWaalsContact OE1-CD2 3.28Å; A207-L346 HydrophobicContact CB-CD1 4Å; N342-L346 WeakPolarHBondContact O-CB 3.27Å; N342-L346 WeakPolarHBondContact O-CG 3.49Å; N342-L346 PolarHBondContact O-N 2.86Å; N342-L346 VanDerWaalsContact O-N 3.14Å; F343-L346 PolarHBondContact O-N 3.09Å; F343-L346 VanDerWaalsContact O-N 3.1Å; E344-L346 VanDerWaalsContact C-N 3.32Å; E344-L346 PolarHBondContact O-N 3.37Å; L346-S349 WeakPolarHBondContact O-CB 3.35Å; L346-N352 PolarHBondContact O-ND2 2.79Å
347I91.8Very high91.3Very high5 Ų556.7 Ų56.73%0.02627%0.271CS..Hα-helixtrans-78.4-29.9-180-152.673.8000112.2W199 F343 E344 G355 L356W199-I347 HydrophobicContact CH2-CD1 4.19Å; W199-I347 HydrophobicContact CZ2-CD1 3.53Å; F343-I347 HydrophobicContact CD1-CG2 4.48Å; F343-I347 HydrophobicContact CE1-CB 4.27Å; F343-I347 HydrophobicContact CE1-CG1 4.35Å; F343-I347 HydrophobicContact CE1-CG2 4.14Å; F343-I347 HydrophobicContact CE2-CB 4.27Å; F343-I347 HydrophobicContact CE2-CD1 3.89Å; F343-I347 HydrophobicContact CE2-CG1 4.32Å; F343-I347 HydrophobicContact CZ-CB 4.02Å; F343-I347 HydrophobicContact CZ-CD1 3.75Å; F343-I347 HydrophobicContact CZ-CG1 3.83Å; F343-I347 HydrophobicContact CZ-CG2 4.39Å; F343-I347 WeakPolarHBondContact O-CB 3.38Å; F343-I347 WeakPolarHBondContact O-CG2 3.41Å; F343-I347 PolarHBondContact O-N 2.74Å; E344-I347 WeakPolarHBondContact O-CG2 3.23Å; E344-I347 PolarHBondContact O-N 3.31Å; I347-G355 WeakPolarHBondContact CD1-O 3.43Å; I347-L356 HydrophobicContact CG1-CD2 3.82Å; I347-L356 HydrophobicContact CG1-CG 4.07Å; I347-L356 HydrophobicContact CG2-CD2 3.92Å
348Q89.7Confident91.1Very high135 Ų13556.1 Ų56.163%0.63127%0.267SS*.SBendtrans-91.6-1.7177.6-62.9172.9-2.200113.2E344E344-Q348 WeakPolarHBondContact O-CB 3.15Å; E344-Q348 WeakPolarHBondContact O-CG 3.34Å; E344-Q348 PolarHBondContact O-N 3.09Å
349S89.5Confident91Very high5 Ų556.2 Ų56.24%0.03527%0.267CS..  trans-57.1137.7174.8174.10000110.7E93 R345 L346 R351 N352E93-S349 PolarHBondContact OE1-OG 3.39Å; R345-S349 PolarHBondContact O-N 3.49Å; L346-S349 WeakPolarHBondContact O-CB 3.35Å; S349-R351 PolarHBondContact O-N 2.82Å; S349-R351 VanDerWaalsContact O-N 3.12Å; S349-R351 PolarHBondContact OG-N 3.37Å; S349-N352 PolarHBondContact O-N 3.42Å
350R88.7Confident91.1Very high194 Ų19459.8 Ų59.873%0.73227%0.273SS*.THydrogen-bonded Turntrans-64-21.2177.7-67.3-177.1-63.3-120.5-2.2112.4E93 N352E93-R350 VanDerWaalsContact CD-NH2 3.34Å; E93-R350 PolarHBondContact OE1-N 2.93Å; E93-R350 IonicContact OE2-CZ 3.37Å; E93-R350 IonicContact OE2-NE 2.72Å; E93-R350 PolarHBondContact OE2-NE 3.1Å; E93-R350 IonicContact OE2-NH2 3.32Å; E93-R350 PolarHBondContact OE2-NH2 2.78Å; R350-N352 PolarHBondContact O-N 3.39Å
351R87.6Confident91.1Very high57 Ų5763.7 Ų63.722%0.21529%0.289CS..THydrogen-bonded Turntrans-77.6-3.1176.3-59.217768.1-158.98.6113V95 D97 I200 S202 L203 S349V95-R351 VanDerWaalsContact O-CZ 3.24Å; V95-R351 PolarHBondContact O-NH1 2.83Å; V95-R351 PolarHBondContact O-NH2 2.96Å; D97-R351 IonicContact OD1-NH2 3.46Å; D97-R351 PolarHBondContact OD1-NH2 2.95Å; D97-R351 IonicContact OD2-NH2 3.35Å; D97-R351 PolarHBondContact OD2-NH2 3.3Å; I200-R351 HydrophobicContact CD1-CB 3.89Å; I200-R351 VanDerWaalsContact CD1-NE 3.3Å; S202-R351 PolarHBondContact OG-NH1 3.46Å; S202-R351 PolarHBondContact OG-NH2 2.96Å; L203-R351 HydrophobicContact CD1-CB 4.2Å; S349-R351 PolarHBondContact O-N 2.82Å; S349-R351 VanDerWaalsContact O-N 3.12Å; S349-R351 PolarHBondContact OG-N 3.37Å
352N90.8Very high91.1Very high9 Ų956.8 Ų56.85%0.04826%0.264CS..  trans-129.968178.5-169.69.3000112.1W199 L203 L346 S349 R350 D354 G355W199-N352 WeakPolarHBondContact CZ2-ND2 3.34Å; L203-N352 HydrophobicContact CD1-CB 3.84Å; L346-N352 PolarHBondContact O-ND2 2.79Å; S349-N352 PolarHBondContact O-N 3.42Å; R350-N352 PolarHBondContact O-N 3.39Å; N352-D354 VanDerWaalsContact C-N 3.3Å; N352-D354 PolarHBondContact O-N 2.92Å; N352-G355 PolarHBondContact O-N 2.94Å; N352-G355 VanDerWaalsContact OD1-CA 3.3Å; N352-G355 WeakPolarHBondContact OD1-CA 3.39Å; N352-G355 PolarHBondContact OD1-N 3.29Å
353P87.6Confident91.3Very high108 Ų10856 Ų5670%0.70126%0.26SS*.THydrogen-bonded Turntrans-64.9-32.2-177.126.6-34.8000113.3
354D88.1Confident91.3Very high93 Ų9357 Ų5750%0.49727%0.265SS..THydrogen-bonded Turntrans-89.6-7.1-176.6-68.5-42.5000113.5N352 L356 K357 Q358N352-D354 VanDerWaalsContact C-N 3.3Å; N352-D354 PolarHBondContact O-N 2.92Å; D354-L356 PolarHBondContact O-N 3.26Å; D354-K357 WeakPolarHBondContact O-CA 3.36Å; D354-K357 VanDerWaalsContact O-CB 3.32Å; D354-K357 WeakPolarHBondContact O-CB 3.44Å; D354-K357 PolarHBondContact O-N 3.47Å; D354-Q358 WeakPolarHBondContact O-CG 3.27Å; D354-Q358 PolarHBondContact O-N 3.18Å
355G88.5Confident91.3Very high0 Ų057.2 Ų57.20%026%0.262CS..Hα-helixtrans-57.4-50.7-173.100000113.4I347 N352 K357 Q358 I359I347-G355 WeakPolarHBondContact CD1-O 3.43Å; N352-G355 PolarHBondContact O-N 2.94Å; N352-G355 VanDerWaalsContact OD1-CA 3.3Å; N352-G355 WeakPolarHBondContact OD1-CA 3.39Å; N352-G355 PolarHBondContact OD1-N 3.29Å; G355-K357 PolarHBondContact O-N 3.36Å; G355-Q358 PolarHBondContact O-N 2.99Å; G355-I359 PolarHBondContact O-N 3.49Å
356L90Very high91.3Very high97 Ų9756.6 Ų56.651%0.50826%0.26SS..Hα-helixtrans-62.2-34176.8-73.8174.4000112.3I347 D354 I359 R360I347-L356 HydrophobicContact CG1-CD2 3.82Å; I347-L356 HydrophobicContact CG1-CG 4.07Å; I347-L356 HydrophobicContact CG2-CD2 3.92Å; D354-L356 PolarHBondContact O-N 3.26Å; L356-I359 WeakPolarHBondContact O-CG2 3.46Å; L356-R360 VanDerWaalsContact O-CB 3.29Å; L356-R360 WeakPolarHBondContact O-CB 3.2Å; L356-R360 PolarHBondContact O-N 3Å
357K91.9Very high91.4Very high121 Ų12156.6 Ų56.653%0.52626%0.26SS..Hα-helixtrans-66.9-43.1177-168.1-176.7-178.5-103.70110.8D354 G355 R360 E361D354-K357 WeakPolarHBondContact O-CA 3.36Å; D354-K357 VanDerWaalsContact O-CB 3.32Å; D354-K357 WeakPolarHBondContact O-CB 3.44Å; D354-K357 PolarHBondContact O-N 3.47Å; G355-K357 PolarHBondContact O-N 3.36Å; K357-R360 PolarHBondContact O-N 2.86Å; K357-E361 VanDerWaalsContact CE-OE1 3.27Å; K357-E361 WeakPolarHBondContact CE-OE1 3.45Å; K357-E361 IonicContact NZ-OE1 2.84Å; K357-E361 PolarHBondContact NZ-OE1 3.47Å; K357-E361 WeakPolarHBondContact O-CB 3.17Å; K357-E361 WeakPolarHBondContact O-CG 3.21Å; K357-E361 PolarHBondContact O-N 3.01Å
358Q91.8Very high91.4Very high35 Ų3558.9 Ų58.916%0.16427%0.272CS..Hα-helixtrans-63.9-47.5-179.6-70.2-178.636.300112.8L195 N197 D354 G355 R360 E361 I362L195-Q358 PolarHBondContact O-OE1 3.48Å; N197-Q358 VanDerWaalsContact O-CD 3.25Å; N197-Q358 PolarHBondContact O-NE2 3.45Å; N197-Q358 PolarHBondContact O-OE1 3.09Å; D354-Q358 WeakPolarHBondContact O-CG 3.27Å; D354-Q358 PolarHBondContact O-N 3.18Å; G355-Q358 PolarHBondContact O-N 2.99Å; Q358-R360 VanDerWaalsContact C-N 3.27Å; Q358-R360 PolarHBondContact O-N 2.91Å; Q358-E361 PolarHBondContact O-N 2.91Å; Q358-I362 WeakPolarHBondContact O-CG1 3.3Å; Q358-I362 PolarHBondContact O-N 3.27Å
359I94.1Very high91.3Very high2 Ų257.8 Ų57.81%0.0126%0.263CS..Hα-helixtrans-64.3-36.7178.8-169.1158.7000111.5L195 L232 Y316 F343 G355 L356 I362 A363L195-I359 HydrophobicContact CD1-CB 3.81Å; L195-I359 HydrophobicContact CD1-CD1 4.13Å; L195-I359 HydrophobicContact CD1-CG1 4.01Å; L232-I359 HydrophobicContact CD1-CD1 4.29Å; L232-I359 HydrophobicContact CD2-CD1 4.31Å; Y316-I359 VanDerWaalsContact CB-CD1 3.49Å; Y316-I359 HydrophobicContact CD2-CD1 4.46Å; Y316-I359 HydrophobicContact CG-CD1 4.21Å; F343-I359 HydrophobicContact CE1-CD1 3.85Å; F343-I359 HydrophobicContact CE2-CD1 4.34Å; F343-I359 HydrophobicContact CZ-CD1 3.4Å; G355-I359 PolarHBondContact O-N 3.49Å; L356-I359 WeakPolarHBondContact O-CG2 3.46Å; I359-I362 PolarHBondContact O-N 3.45Å; I359-A363 WeakPolarHBondContact O-CB 3.26Å; I359-A363 PolarHBondContact O-N 3.45Å
360R94.8Very high91.2Very high100 Ų10058.5 Ų58.538%0.37727%0.265SS..Hα-helixtrans-63.4-48.2173.7-178.9176.4172.9169.94.2111.5L356 K357 Q358 I362 A363 E364 T392L356-R360 VanDerWaalsContact O-CB 3.29Å; L356-R360 WeakPolarHBondContact O-CB 3.2Å; L356-R360 PolarHBondContact O-N 3Å; K357-R360 PolarHBondContact O-N 2.86Å; Q358-R360 VanDerWaalsContact C-N 3.27Å; Q358-R360 PolarHBondContact O-N 2.91Å; R360-I362 VanDerWaalsContact C-N 3.3Å; R360-I362 PolarHBondContact O-N 3.02Å; R360-A363 PolarHBondContact O-N 2.85Å; R360-A363 VanDerWaalsContact O-N 3.16Å; R360-E364 HydrophobicContact CG-CG 4.18Å; R360-E364 IonicContact CZ-OE1 3.06Å; R360-E364 IonicContact NE-OE1 2.58Å; R360-E364 PolarHBondContact NE-OE1 3.12Å; R360-E364 IonicContact NH2-OE1 2.8Å; R360-E364 PolarHBondContact NH2-OE1 3.17Å; R360-E364 VanDerWaalsContact NH2-OE1 3.09Å; R360-E364 WeakPolarHBondContact O-CB 3.25Å; R360-E364 VanDerWaalsContact O-CG 3.3Å; R360-E364 WeakPolarHBondContact O-CG 3.16Å; R360-E364 PolarHBondContact O-N 3.25Å; R360-T392 VanDerWaalsContact NH2-CG2 3.25Å
361E93.2Very high91.2Very high91 Ų9150.5 Ų50.543%0.42524%0.237SC..Hα-helixtrans-59.1-39.6177.4-76.2175.8-176.900112.3K357 Q358 R365K357-E361 VanDerWaalsContact CE-OE1 3.27Å; K357-E361 WeakPolarHBondContact CE-OE1 3.45Å; K357-E361 IonicContact NZ-OE1 2.84Å; K357-E361 PolarHBondContact NZ-OE1 3.47Å; K357-E361 WeakPolarHBondContact O-CB 3.17Å; K357-E361 WeakPolarHBondContact O-CG 3.21Å; K357-E361 PolarHBondContact O-N 3.01Å; Q358-E361 PolarHBondContact O-N 2.91Å; E361-R365 WeakPolarHBondContact O-CB 3.16Å; E361-R365 PolarHBondContact O-N 2.99Å
362I93.2Very high91.1Very high16 Ų1654.2 Ų54.28%0.08226%0.261CS..Hα-helixtrans-62.7-48.4174.7-68.2167.2000110.5L195 Q358 I359 R360 R365 N366L195-I362 HydrophobicContact CB-CD1 4.17Å; L195-I362 HydrophobicContact CD1-CD1 3.92Å; Q358-I362 WeakPolarHBondContact O-CG1 3.3Å; Q358-I362 PolarHBondContact O-N 3.27Å; I359-I362 PolarHBondContact O-N 3.45Å; R360-I362 VanDerWaalsContact C-N 3.3Å; R360-I362 PolarHBondContact O-N 3.02Å; I362-R365 PolarHBondContact O-N 2.93Å; I362-N366 WeakPolarHBondContact O-CB 3.43Å; I362-N366 PolarHBondContact O-N 2.74Å; I362-N366 PolarHBondContact O-OD1 3.45Å
363A95.1Very high90.8Very high0 Ų055.4 Ų55.40%026%0.264CS..Hα-helixtrans-63.2-45.1179.500000112.5F314 F318 I359 R360 N366 I367F314-A363 HydrophobicContact CD1-CB 4.14Å; F314-A363 WeakPolarHBondContact CE1-O 3.35Å; F318-A363 HydrophobicContact CE2-CB 4.12Å; F318-A363 HydrophobicContact CZ-CB 4.23Å; I359-A363 WeakPolarHBondContact O-CB 3.26Å; I359-A363 PolarHBondContact O-N 3.45Å; R360-A363 PolarHBondContact O-N 2.85Å; R360-A363 VanDerWaalsContact O-N 3.16Å; A363-N366 PolarHBondContact O-N 3.38Å; A363-I367 PolarHBondContact O-N 3.08Å
364E95Very high90.6Very high24 Ų2454.5 Ų54.511%0.11226%0.259CS..Hα-helixtrans-61.9-47.2177.4-70.8-172.8176.600111.1F318 R360 N366 I367 L368 I389F318-E364 HydrophobicContact CE1-CG 3.97Å; F318-E364 HydrophobicContact CZ-CG 4.33Å; R360-E364 HydrophobicContact CG-CG 4.18Å; R360-E364 IonicContact CZ-OE1 3.06Å; R360-E364 IonicContact NE-OE1 2.58Å; R360-E364 PolarHBondContact NE-OE1 3.12Å; R360-E364 IonicContact NH2-OE1 2.8Å; R360-E364 PolarHBondContact NH2-OE1 3.17Å; R360-E364 VanDerWaalsContact NH2-OE1 3.09Å; R360-E364 WeakPolarHBondContact O-CB 3.25Å; R360-E364 VanDerWaalsContact O-CG 3.3Å; R360-E364 WeakPolarHBondContact O-CG 3.16Å; R360-E364 PolarHBondContact O-N 3.25Å; E364-N366 PolarHBondContact O-N 2.92Å; E364-I367 WeakPolarHBondContact O-CG2 3.23Å; E364-I367 PolarHBondContact O-N 3.49Å; E364-L368 WeakPolarHBondContact O-CB 3.15Å; E364-L368 WeakPolarHBondContact O-CD1 3.42Å; E364-L368 WeakPolarHBondContact O-CG 3.03Å; E364-L368 PolarHBondContact O-N 3.37Å; E364-I389 HydrophobicContact CB-CD1 3.87Å; E364-I389 HydrophobicContact CB-CG1 4.44Å; E364-I389 HydrophobicContact CG-CD1 3.68Å; E364-I389 HydrophobicContact CG-CG1 3.79Å
365R92.6Very high90.3Very high88 Ų8854.6 Ų54.633%0.33226%0.258SS..Hα-helixtrans-58.3-48.6175.8-178.7-177.471.2-1714.1111.4E361 I362 I367 L368 Y369 Y720E361-R365 WeakPolarHBondContact O-CB 3.16Å; E361-R365 PolarHBondContact O-N 2.99Å; I362-R365 PolarHBondContact O-N 2.93Å; R365-I367 PolarHBondContact O-N 2.94Å; R365-L368 PolarHBondContact O-N 2.54Å; R365-Y369 HydrophobicContact CG-CD2 3.93Å; R365-Y369 HydrophobicContact CG-CE2 3.43Å; R365-Y369 VanDerWaalsContact CG-CE2 3.43Å; R365-Y369 WeakPolarHBondContact O-CD2 3.46Å; R365-Y369 PolarHBondContact O-N 3.37Å; R365-Y369 VanDerWaalsContact O-N 3.08Å; R365-Y720 PolarHBondContact NH2-O 2.73Å; R365-Y720 VanDerWaalsContact NH2-O 3.13Å
366N91.7Very high90.2Very high8 Ų854.7 Ų54.74%0.04326%0.259CS..Hα-helixtrans-69-36-175.4-67.9-2000111.9E313 F314 I362 A363 E364 Y369 R370E313-N366 PolarHBondContact OE1-ND2 2.89Å; E313-N366 PolarHBondContact OE2-ND2 3.04Å; E313-N366 VanDerWaalsContact OE2-ND2 3.16Å; F314-N366 HydrophobicContact CE1-CB 3.87Å; F314-N366 HydrophobicContact CZ-CB 3.84Å; I362-N366 WeakPolarHBondContact O-CB 3.43Å; I362-N366 PolarHBondContact O-N 2.74Å; I362-N366 PolarHBondContact O-OD1 3.45Å; A363-N366 PolarHBondContact O-N 3.38Å; E364-N366 PolarHBondContact O-N 2.92Å; N366-Y369 PolarHBondContact O-N 2.99Å; N366-R370 WeakPolarHBondContact O-CG 3.47Å; N366-R370 PolarHBondContact O-N 2.9Å
367I92.7Very high89.9Confident0 Ų051.9 Ų51.90%025%0.247CC..Hα-helixtrans-71.5-35.3176.4-156.666.2000111.7F314 F318 M324 A363 E364 R365 Y369 R370 I371 F382 V386 I389F314-I367 HydrophobicContact CD1-CB 4.49Å; F314-I367 HydrophobicContact CE1-CB 3.89Å; F314-I367 HydrophobicContact CE1-CD1 4.08Å; F314-I367 HydrophobicContact CZ-CD1 4.43Å; F318-I367 HydrophobicContact CE2-CB 4.18Å; F318-I367 HydrophobicContact CE2-CG1 4.49Å; F318-I367 HydrophobicContact CE2-CG2 4.14Å; F318-I367 HydrophobicContact CZ-CB 4.15Å; F318-I367 HydrophobicContact CZ-CG2 3.61Å; M324-I367 HydrophobicContact CE-CD1 4.31Å; A363-I367 PolarHBondContact O-N 3.08Å; E364-I367 WeakPolarHBondContact O-CG2 3.23Å; E364-I367 PolarHBondContact O-N 3.49Å; R365-I367 PolarHBondContact O-N 2.94Å; I367-Y369 VanDerWaalsContact C-N 3.33Å; I367-Y369 PolarHBondContact O-N 2.88Å; I367-R370 PolarHBondContact O-N 2.77Å; I367-R370 VanDerWaalsContact O-N 3.14Å; I367-I371 PolarHBondContact O-N 3.49Å; I367-F382 HydrophobicContact CD1-CB 4.25Å; I367-F382 HydrophobicContact CD1-CD1 3.72Å; I367-F382 HydrophobicContact CD1-CD2 4.15Å; I367-F382 HydrophobicContact CD1-CE1 4.09Å; I367-F382 HydrophobicContact CD1-CE2 4.46Å; I367-F382 HydrophobicContact CD1-CG 3.77Å; I367-F382 HydrophobicContact CD1-CZ 4.45Å; I367-V386 HydrophobicContact CG1-CG2 4.33Å; I367-V386 HydrophobicContact CG2-CG2 4.16Å; I367-I389 HydrophobicContact CG2-CD1 3.5Å
368L91.8Very high89.5Confident53 Ų5350.4 Ų50.428%0.27724%0.241SC..Hα-helixtrans-67.2-33.1176.1-72.8169.8000112E364 R365 I371 N372 V386 I389E364-L368 WeakPolarHBondContact O-CB 3.15Å; E364-L368 WeakPolarHBondContact O-CD1 3.42Å; E364-L368 WeakPolarHBondContact O-CG 3.03Å; E364-L368 PolarHBondContact O-N 3.37Å; R365-L368 PolarHBondContact O-N 2.54Å; L368-I371 WeakPolarHBondContact O-CG2 3.44Å; L368-N372 PolarHBondContact O-ND2 2.99Å; L368-V386 HydrophobicContact CD2-CG1 4.08Å; L368-V386 HydrophobicContact CD2-CG2 4.29Å; L368-I389 HydrophobicContact CG-CD1 4.44Å
369Y88Confident89.4Confident112 Ų11248.7 Ų48.744%0.43923%0.233SC..Hα-helixtrans-67.8-36.2169.9-74-56.2000112.5R365 N366 I367R365-Y369 HydrophobicContact CG-CD2 3.93Å; R365-Y369 HydrophobicContact CG-CE2 3.43Å; R365-Y369 VanDerWaalsContact CG-CE2 3.43Å; R365-Y369 WeakPolarHBondContact O-CD2 3.46Å; R365-Y369 PolarHBondContact O-N 3.37Å; R365-Y369 VanDerWaalsContact O-N 3.08Å; N366-Y369 PolarHBondContact O-N 2.99Å; I367-Y369 VanDerWaalsContact C-N 3.33Å; I367-Y369 PolarHBondContact O-N 2.88Å
370R88.4Confident89.1Confident20 Ų2049.5 Ų49.58%0.07524%0.238CC..Hα-helixtrans-68.1-44.3178.1-72.9-175.1179-147.78112.6N366 I367 N372 R373 D376 I723N366-R370 WeakPolarHBondContact O-CG 3.47Å; N366-R370 PolarHBondContact O-N 2.9Å; I367-R370 PolarHBondContact O-N 2.77Å; I367-R370 VanDerWaalsContact O-N 3.14Å; R370-N372 PolarHBondContact O-N 2.87Å; R370-R373 WeakPolarHBondContact O-CB 3.42Å; R370-R373 PolarHBondContact O-N 3.32Å; R370-D376 HydrophobicContact CB-CB 4.21Å; R370-D376 WeakPolarHBondContact O-CB 3.43Å; R370-I723 HydrophobicContact CG-CD1 4.31Å
371I88.3Confident89Confident27 Ų2744.8 Ų44.814%0.13822%0.22CC..Hα-helixtrans-61.6-21.7-175.5-155.472.5000114I367 L368 R373 S377 F382 R383 V386I367-I371 PolarHBondContact O-N 3.49Å; L368-I371 WeakPolarHBondContact O-CG2 3.44Å; I371-R373 PolarHBondContact O-N 3.47Å; I371-S377 WeakPolarHBondContact O-CB 3.4Å; I371-F382 HydrophobicContact CD1-CB 4.01Å; I371-R383 HydrophobicContact CD1-CG 4.13Å; I371-V386 HydrophobicContact CB-CG2 3.96Å; I371-V386 HydrophobicContact CD1-CG2 4.28Å; I371-V386 HydrophobicContact CG1-CG2 4.1Å; I371-V386 HydrophobicContact CG2-CG2 4.14Å
372N85.5Confident88.9Confident134 Ų13440.4 Ų40.472%0.71720%0.2SC*.THydrogen-bonded Turntrans-70.8-13.8174.7-69.1-36.9000113.2L368 R370L368-N372 PolarHBondContact O-ND2 2.99Å; R370-N372 PolarHBondContact O-N 2.87Å
373R85Confident88.8Confident34 Ų3446.4 Ų46.413%0.12822%0.222CC..SBendtrans-86.3140176.3-53.2-165.4-167.8142.3-20.4110.9R370 I371 I375 D376 S377 P715 I723R370-R373 WeakPolarHBondContact O-CB 3.42Å; R370-R373 PolarHBondContact O-N 3.32Å; I371-R373 PolarHBondContact O-N 3.47Å; R373-I375 VanDerWaalsContact C-N 3.32Å; R373-I375 PolarHBondContact O-N 3.02Å; R373-D376 HydrophobicContact CB-CB 4.09Å; R373-D376 VanDerWaalsContact CD-OD2 3.31Å; R373-D376 WeakPolarHBondContact CD-OD2 3.44Å; R373-D376 IonicContact CZ-OD2 2.82Å; R373-D376 IonicContact NE-OD2 3.67Å; R373-D376 IonicContact NH1-OD2 3.56Å; R373-D376 PolarHBondContact NH1-OD2 3.38Å; R373-D376 PolarHBondContact O-N 3.32Å; R373-S377 WeakPolarHBondContact O-CB 3.32Å; R373-S377 PolarHBondContact O-N 2.71Å; R373-P715 VanDerWaalsContact CZ-CG 3.44Å; R373-P715 VanDerWaalsContact NH2-CB 3.35Å; R373-P715 VanDerWaalsContact NH2-CG 3.29Å; R373-I723 VanDerWaalsContact NH2-CG1 3.35Å
374P82Confident88.6Confident89 Ų8949.6 Ų49.658%0.57823%0.234SC*.THydrogen-bonded Turntrans-63.5-35.5-174.724-33.5000113.3K378P374-K378 WeakPolarHBondContact O-CG 3.37Å
375I82.1Confident88.6Confident96 Ų9648.8 Ų48.849%0.49223%0.23SC..THydrogen-bonded Turntrans-71.1-51.8178.3-60.6170.2000110.1I300 R373 S377 K378I300-I375 HydrophobicContact CG2-CG2 3.54Å; R373-I375 VanDerWaalsContact C-N 3.32Å; R373-I375 PolarHBondContact O-N 3.02Å; I375-S377 VanDerWaalsContact C-N 3.29Å; I375-S377 PolarHBondContact O-N 3.38Å; I375-K378 WeakPolarHBondContact O-CB 3.47Å; I375-K378 PolarHBondContact O-N 3.39Å; I375-K378 VanDerWaalsContact O-N 3.09Å
376D86.3Confident88.6Confident2 Ų245.1 Ų45.11%0.01122%0.218CC..G310 helixtrans-61.9-37.5179.9-70.8-33.4000111.9L302 R370 R373 K378 I379 F382L302-D376 WeakPolarHBondContact CD2-OD1 3.44Å; R370-D376 HydrophobicContact CB-CB 4.21Å; R370-D376 WeakPolarHBondContact O-CB 3.43Å; R373-D376 HydrophobicContact CB-CB 4.09Å; R373-D376 VanDerWaalsContact CD-OD2 3.31Å; R373-D376 WeakPolarHBondContact CD-OD2 3.44Å; R373-D376 IonicContact CZ-OD2 2.82Å; R373-D376 IonicContact NE-OD2 3.67Å; R373-D376 IonicContact NH1-OD2 3.56Å; R373-D376 PolarHBondContact NH1-OD2 3.38Å; R373-D376 PolarHBondContact O-N 3.32Å; D376-K378 PolarHBondContact O-N 3.3Å; D376-K378 VanDerWaalsContact O-N 3.17Å; D376-I379 WeakPolarHBondContact O-CB 3.37Å; D376-I379 PolarHBondContact O-N 3.29Å; D376-F382 HydrophobicContact CB-CD2 4.06Å; D376-F382 HydrophobicContact CB-CE2 4.21Å
377S85Confident88.7Confident38 Ų3850.3 Ų50.327%0.26624%0.24SC..G310 helixtrans-60.3-23176.6-168.70000112.9I371 R373 I375 I379 R383I371-S377 WeakPolarHBondContact O-CB 3.4Å; R373-S377 WeakPolarHBondContact O-CB 3.32Å; R373-S377 PolarHBondContact O-N 2.71Å; I375-S377 VanDerWaalsContact C-N 3.29Å; I375-S377 PolarHBondContact O-N 3.38Å; S377-I379 VanDerWaalsContact C-N 3.32Å; S377-R383 PolarHBondContact O-NE 3.07Å; S377-R383 PolarHBondContact O-NH2 2.89Å
378K83Confident88.6Confident89 Ų8953.3 Ų53.339%0.38725%0.254SS..G310 helixtrans-80-11.9177.2-67.6176.8-178.6-172.20113.1P374 I375 D376 P380P374-K378 WeakPolarHBondContact O-CG 3.37Å; I375-K378 WeakPolarHBondContact O-CB 3.47Å; I375-K378 PolarHBondContact O-N 3.39Å; I375-K378 VanDerWaalsContact O-N 3.09Å; D376-K378 PolarHBondContact O-N 3.3Å; D376-K378 VanDerWaalsContact O-N 3.17Å; K378-P380 WeakPolarHBondContact O-CD 3.37Å
379I88.7Confident88.7Confident0 Ų051 Ų510%024%0.242CC..  trans-78.9118.3-176.3-60.6168000110.1V244 I246 L302 D376 S377 L381 F382 R383V244-I379 HydrophobicContact CG1-CD1 3.99Å; I246-I379 HydrophobicContact CD1-CG1 3.97Å; I246-I379 HydrophobicContact CG1-CG1 4.31Å; L302-I379 HydrophobicContact CD1-CD1 4.42Å; L302-I379 HydrophobicContact CD2-CD1 3.59Å; D376-I379 WeakPolarHBondContact O-CB 3.37Å; D376-I379 PolarHBondContact O-N 3.29Å; S377-I379 VanDerWaalsContact C-N 3.32Å; I379-L381 VanDerWaalsContact C-N 3.35Å; I379-L381 HydrophobicContact CG2-CB 4.28Å; I379-L381 PolarHBondContact O-N 3.28Å; I379-F382 HydrophobicContact CB-CB 4.23Å; I379-F382 HydrophobicContact CB-CD2 4Å; I379-F382 HydrophobicContact CB-CE2 4.5Å; I379-F382 HydrophobicContact CB-CG 4Å; I379-F382 HydrophobicContact CD1-CD2 3.73Å; I379-F382 HydrophobicContact CD1-CE2 3.43Å; I379-F382 VanDerWaalsContact CD1-CE2 3.43Å; I379-F382 HydrophobicContact CD1-CG 4.44Å; I379-F382 HydrophobicContact CD1-CZ 3.89Å; I379-F382 HydrophobicContact CG1-CD2 4.42Å; I379-F382 HydrophobicContact CG2-CB 4.37Å; I379-F382 HydrophobicContact CG2-CD1 3.95Å; I379-F382 HydrophobicContact CG2-CD2 4.29Å; I379-F382 HydrophobicContact CG2-CE1 4.27Å; I379-F382 HydrophobicContact CG2-CG 3.94Å; I379-F382 PolarHBondContact O-N 2.85Å; I379-R383 PolarHBondContact O-N 2.77Å; I379-R383 VanDerWaalsContact O-N 3.16Å
380P88.8Confident89Confident19 Ų1952.7 Ų52.712%0.12325%0.249CC..Hα-helixtrans-60.4-39.1-177.9-26.336000114.2I246 P259 Y261 K378 F382 R383 Y384I246-P380 HydrophobicContact CG2-CG 4.3Å; P259-P380 HydrophobicContact CG-CB 3.94Å; P259-P380 HydrophobicContact CG-CG 4.45Å; Y261-P380 HydrophobicContact CD2-CG 4.44Å; K378-P380 WeakPolarHBondContact O-CD 3.37Å; P380-F382 PolarHBondContact O-N 3.27Å; P380-R383 PolarHBondContact O-N 3.29Å; P380-Y384 WeakPolarHBondContact O-CB 3.35Å; P380-Y384 PolarHBondContact O-N 2.92Å
381L91.6Very high89.2Confident0 Ų055.3 Ų55.30%026%0.262CS..Hα-helixtrans-60.9-44.6177.5179.463.1000111.3H249 Y253 L256 L258 M324 I379 R383 Y384 L385H249-L381 WeakPolarHBondContact ND1-CB 3.4Å; Y253-L381 HydrophobicContact CD2-CD1 4.23Å; Y253-L381 HydrophobicContact CD2-CD2 4.31Å; Y253-L381 HydrophobicContact CE2-CD1 4.41Å; Y253-L381 HydrophobicContact CE2-CD2 3.83Å; L256-L381 HydrophobicContact CD1-CD1 3.87Å; L258-L381 HydrophobicContact CD1-CB 4.46Å; L258-L381 HydrophobicContact CD1-CD1 4.31Å; M324-L381 HydrophobicContact CB-CD2 3.67Å; M324-L381 HydrophobicContact CG-CD2 4.44Å; M324-L381 HydrophobicContact SD-CD2 3.86Å; I379-L381 VanDerWaalsContact C-N 3.35Å; I379-L381 HydrophobicContact CG2-CB 4.28Å; I379-L381 PolarHBondContact O-N 3.28Å; L381-R383 VanDerWaalsContact C-N 3.35Å; L381-R383 PolarHBondContact O-N 3.23Å; L381-Y384 WeakPolarHBondContact O-CB 3.38Å; L381-Y384 PolarHBondContact O-N 2.93Å; L381-L385 HydrophobicContact CD1-CD1 4.37Å; L381-L385 HydrophobicContact CD1-CG 4.3Å; L381-L385 HydrophobicContact CG-CD1 4.15Å; L381-L385 HydrophobicContact CG-CG 4.47Å; L381-L385 VanDerWaalsContact O-CG 3.32Å; L381-L385 WeakPolarHBondContact O-CG 3.18Å; L381-L385 PolarHBondContact O-N 3.19Å
382F93.1Very high89.4Confident0 Ų055.6 Ų55.60%027%0.265CS..Hα-helixtrans-65.1-41.2179.8-66.52.4000111.1L302 M324 I367 I371 D376 I379 P380 Y384 L385 V386L302-F382 HydrophobicContact CD1-CE2 4.25Å; L302-F382 HydrophobicContact CD1-CZ 3.91Å; M324-F382 HydrophobicContact CE-CE1 3.99Å; M324-F382 HydrophobicContact SD-CD1 4.2Å; M324-F382 HydrophobicContact SD-CE1 3.59Å; M324-F382 VanDerWaalsContact SD-CE1 3.59Å; I367-F382 HydrophobicContact CD1-CB 4.25Å; I367-F382 HydrophobicContact CD1-CD1 3.72Å; I367-F382 HydrophobicContact CD1-CD2 4.15Å; I367-F382 HydrophobicContact CD1-CE1 4.09Å; I367-F382 HydrophobicContact CD1-CE2 4.46Å; I367-F382 HydrophobicContact CD1-CG 3.77Å; I367-F382 HydrophobicContact CD1-CZ 4.45Å; I371-F382 HydrophobicContact CD1-CB 4.01Å; D376-F382 HydrophobicContact CB-CD2 4.06Å; D376-F382 HydrophobicContact CB-CE2 4.21Å; I379-F382 HydrophobicContact CB-CB 4.23Å; I379-F382 HydrophobicContact CB-CD2 4Å; I379-F382 HydrophobicContact CB-CE2 4.5Å; I379-F382 HydrophobicContact CB-CG 4Å; I379-F382 HydrophobicContact CD1-CD2 3.73Å; I379-F382 HydrophobicContact CD1-CE2 3.43Å; I379-F382 VanDerWaalsContact CD1-CE2 3.43Å; I379-F382 HydrophobicContact CD1-CG 4.44Å; I379-F382 HydrophobicContact CD1-CZ 3.89Å; I379-F382 HydrophobicContact CG1-CD2 4.42Å; I379-F382 HydrophobicContact CG2-CB 4.37Å; I379-F382 HydrophobicContact CG2-CD1 3.95Å; I379-F382 HydrophobicContact CG2-CD2 4.29Å; I379-F382 HydrophobicContact CG2-CE1 4.27Å; I379-F382 HydrophobicContact CG2-CG 3.94Å; I379-F382 PolarHBondContact O-N 2.85Å; P380-F382 PolarHBondContact O-N 3.27Å; F382-Y384 VanDerWaalsContact C-N 3.33Å; F382-Y384 PolarHBondContact O-N 3.17Å; F382-L385 PolarHBondContact O-N 3.44Å; F382-V386 WeakPolarHBondContact O-CB 3.34Å; F382-V386 VanDerWaalsContact O-CG2 3.28Å; F382-V386 WeakPolarHBondContact O-CG2 3.43Å; F382-V386 PolarHBondContact O-N 3.46Å
383R90.5Very high89.8Confident142 Ų14252.3 Ų52.354%0.53625%0.247SC..Hα-helixtrans-58.9-44.5173-71.2-174.3178.1179.73.8112.1I371 S377 I379 P380 L381 V386 K387I371-R383 HydrophobicContact CD1-CG 4.13Å; S377-R383 PolarHBondContact O-NE 3.07Å; S377-R383 PolarHBondContact O-NH2 2.89Å; I379-R383 PolarHBondContact O-N 2.77Å; I379-R383 VanDerWaalsContact O-N 3.16Å; P380-R383 PolarHBondContact O-N 3.29Å; L381-R383 VanDerWaalsContact C-N 3.35Å; L381-R383 PolarHBondContact O-N 3.23Å; R383-V386 PolarHBondContact O-N 3.02Å; R383-K387 WeakPolarHBondContact O-CB 3.19Å; R383-K387 PolarHBondContact O-N 3.3Å
384Y91.5Very high90.2Very high67 Ų6754.5 Ų54.526%0.26326%0.261SS..Hα-helixtrans-61.1-49.3177.7174.9-91.4000111.2L256 L258 P380 L381 F382 V386 K387 Q388L256-Y384 HydrophobicContact CB-CE1 4.3Å; L256-Y384 HydrophobicContact CD1-CD1 4.18Å; L256-Y384 HydrophobicContact CD1-CE1 4.05Å; L256-Y384 HydrophobicContact CD2-CE1 3.65Å; L256-Y384 HydrophobicContact CG-CE1 4.2Å; L258-Y384 HydrophobicContact CD2-CD2 4.39Å; L258-Y384 HydrophobicContact CD2-CG 4Å; P380-Y384 WeakPolarHBondContact O-CB 3.35Å; P380-Y384 PolarHBondContact O-N 2.92Å; L381-Y384 WeakPolarHBondContact O-CB 3.38Å; L381-Y384 PolarHBondContact O-N 2.93Å; F382-Y384 VanDerWaalsContact C-N 3.33Å; F382-Y384 PolarHBondContact O-N 3.17Å; Y384-V386 PolarHBondContact O-N 3.36Å; Y384-K387 WeakPolarHBondContact O-CB 3.49Å; Y384-K387 PolarHBondContact O-N 2.93Å; Y384-Q388 HydrophobicContact CD1-CG 4.13Å; Y384-Q388 HydrophobicContact CE1-CG 3.58Å; Y384-Q388 HydrophobicContact CE2-CG 4.28Å; Y384-Q388 WeakPolarHBondContact O-CG 3.49Å; Y384-Q388 PolarHBondContact O-N 3.15Å
385L93.7Very high90.8Very high6 Ų656.1 Ų56.13%0.03126%0.261CS..Hα-helixtrans-60.5-44.9178.9-66.6174.4000111.7F318 M324 L381 F382 K387 Q388 I389F318-L385 HydrophobicContact CB-CD2 3.88Å; F318-L385 HydrophobicContact CD1-CD2 4.07Å; F318-L385 HydrophobicContact CD2-CD1 3.73Å; F318-L385 HydrophobicContact CD2-CD2 4.01Å; F318-L385 HydrophobicContact CD2-CG 4.34Å; F318-L385 HydrophobicContact CE2-CB 4.46Å; F318-L385 HydrophobicContact CE2-CD1 3.93Å; F318-L385 HydrophobicContact CG-CD1 4.32Å; F318-L385 HydrophobicContact CG-CD2 3.73Å; F318-L385 HydrophobicContact CG-CG 4.5Å; F318-L385 HydrophobicContact CZ-CB 4.47Å; M324-L385 HydrophobicContact SD-CD1 4.39Å; L381-L385 HydrophobicContact CD1-CD1 4.37Å; L381-L385 HydrophobicContact CD1-CG 4.3Å; L381-L385 HydrophobicContact CG-CD1 4.15Å; L381-L385 HydrophobicContact CG-CG 4.47Å; L381-L385 VanDerWaalsContact O-CG 3.32Å; L381-L385 WeakPolarHBondContact O-CG 3.18Å; L381-L385 PolarHBondContact O-N 3.19Å; F382-L385 PolarHBondContact O-N 3.44Å; L385-K387 VanDerWaalsContact C-N 3.33Å; L385-K387 PolarHBondContact O-N 3.2Å; L385-Q388 WeakPolarHBondContact O-CB 3.46Å; L385-Q388 PolarHBondContact O-N 2.94Å; L385-I389 WeakPolarHBondContact O-CG1 3.48Å; L385-I389 PolarHBondContact O-N 3.09Å
386V93.5Very high91.3Very high12 Ų1255.4 Ų55.47%0.07326%0.257CS..Hα-helixtrans-62.6-40.4176.3169.90000111.7I367 L368 I371 F382 R383 Y384 I389 Y390I367-V386 HydrophobicContact CG1-CG2 4.33Å; I367-V386 HydrophobicContact CG2-CG2 4.16Å; L368-V386 HydrophobicContact CD2-CG1 4.08Å; L368-V386 HydrophobicContact CD2-CG2 4.29Å; I371-V386 HydrophobicContact CB-CG2 3.96Å; I371-V386 HydrophobicContact CD1-CG2 4.28Å; I371-V386 HydrophobicContact CG1-CG2 4.1Å; I371-V386 HydrophobicContact CG2-CG2 4.14Å; F382-V386 WeakPolarHBondContact O-CB 3.34Å; F382-V386 VanDerWaalsContact O-CG2 3.28Å; F382-V386 WeakPolarHBondContact O-CG2 3.43Å; F382-V386 PolarHBondContact O-N 3.46Å; R383-V386 PolarHBondContact O-N 3.02Å; Y384-V386 PolarHBondContact O-N 3.36Å; V386-I389 WeakPolarHBondContact O-CB 3.15Å; V386-I389 PolarHBondContact O-N 3.41Å; V386-Y390 HydrophobicContact CG1-CD2 3.78Å; V386-Y390 HydrophobicContact CG1-CE2 3.42Å; V386-Y390 VanDerWaalsContact CG1-CE2 3.42Å; V386-Y390 WeakPolarHBondContact O-CD2 3.48Å; V386-Y390 PolarHBondContact O-N 2.93Å; V386-Y390 VanDerWaalsContact O-N 3.09Å
387K92.3Very high91.5Very high116 Ų11659.8 Ų59.850%0.50428%0.278SS..Hα-helixtrans-60.8-43.9173.6179.3178.6168.4-179.90111.4R383 Y384 L385 I389 Y390 E391R383-K387 WeakPolarHBondContact O-CB 3.19Å; R383-K387 PolarHBondContact O-N 3.3Å; Y384-K387 WeakPolarHBondContact O-CB 3.49Å; Y384-K387 PolarHBondContact O-N 2.93Å; L385-K387 VanDerWaalsContact C-N 3.33Å; L385-K387 PolarHBondContact O-N 3.2Å; K387-I389 VanDerWaalsContact C-N 3.3Å; K387-I389 PolarHBondContact O-N 2.97Å; K387-Y390 PolarHBondContact O-N 3.45Å; K387-E391 WeakPolarHBondContact CE-OE1 3.35Å; K387-E391 HydrophobicContact CG-CG 4.46Å; K387-E391 IonicContact NZ-OE1 3.43Å; K387-E391 WeakPolarHBondContact O-CG 2.83Å; K387-E391 PolarHBondContact O-N 3.47Å
388Q91.8Very high91.9Very high64 Ų6463 Ų6330%0.29929%0.289SS..Hα-helixtrans-60-38.4175.9-71.1-56.7-60.600112.4Y384 L385 E391 T392Y384-Q388 HydrophobicContact CD1-CG 4.13Å; Y384-Q388 HydrophobicContact CE1-CG 3.58Å; Y384-Q388 HydrophobicContact CE2-CG 4.28Å; Y384-Q388 WeakPolarHBondContact O-CG 3.49Å; Y384-Q388 PolarHBondContact O-N 3.15Å; L385-Q388 WeakPolarHBondContact O-CB 3.46Å; L385-Q388 PolarHBondContact O-N 2.94Å; Q388-E391 PolarHBondContact NE2-OE2 3.09Å; Q388-E391 PolarHBondContact O-N 2.94Å; Q388-T392 WeakPolarHBondContact O-CB 3.48Å; Q388-T392 PolarHBondContact O-N 3.42Å; Q388-T392 PolarHBondContact O-OG1 3.49Å
389I93.5Very high92.4Very high4 Ų462.9 Ų62.92%0.02129%0.29CS..Hα-helixtrans-62.1-49174.8-64.4167.3000110.7F318 E364 I367 L368 L385 V386 K387 E391 T392 N393F318-I389 HydrophobicContact CE1-CD1 3.9Å; F318-I389 HydrophobicContact CE1-CG1 4.06Å; F318-I389 HydrophobicContact CZ-CD1 3.97Å; E364-I389 HydrophobicContact CB-CD1 3.87Å; E364-I389 HydrophobicContact CB-CG1 4.44Å; E364-I389 HydrophobicContact CG-CD1 3.68Å; E364-I389 HydrophobicContact CG-CG1 3.79Å; I367-I389 HydrophobicContact CG2-CD1 3.5Å; L368-I389 HydrophobicContact CG-CD1 4.44Å; L385-I389 WeakPolarHBondContact O-CG1 3.48Å; L385-I389 PolarHBondContact O-N 3.09Å; V386-I389 WeakPolarHBondContact O-CB 3.15Å; V386-I389 PolarHBondContact O-N 3.41Å; K387-I389 VanDerWaalsContact C-N 3.3Å; K387-I389 PolarHBondContact O-N 2.97Å; I389-E391 PolarHBondContact O-N 3.23Å; I389-T392 PolarHBondContact O-N 3.4Å; I389-N393 WeakPolarHBondContact O-CB 3.17Å; I389-N393 VanDerWaalsContact O-CG 3.31Å; I389-N393 PolarHBondContact O-N 2.93Å; I389-N393 PolarHBondContact O-ND2 3.3Å
390Y93.6Very high92.6Very high148 Ų14869.2 Ų69.258%0.5832%0.319SS*.Hα-helixtrans-62.2-41.2178.6-76.4-62.7000112.7V386 K387 N393 L394V386-Y390 HydrophobicContact CG1-CD2 3.78Å; V386-Y390 HydrophobicContact CG1-CE2 3.42Å; V386-Y390 VanDerWaalsContact CG1-CE2 3.42Å; V386-Y390 WeakPolarHBondContact O-CD2 3.48Å; V386-Y390 PolarHBondContact O-N 2.93Å; V386-Y390 VanDerWaalsContact O-N 3.09Å; K387-Y390 PolarHBondContact O-N 3.45Å; Y390-N393 PolarHBondContact O-N 3.43Å; Y390-L394 WeakPolarHBondContact O-CB 3.4Å; Y390-L394 PolarHBondContact O-N 2.82Å
391E93.7Very high92.8Very high74 Ų7475.8 Ų75.835%0.34634%0.342SS..Hα-helixtrans-62.9-44.2176.2-73.4174.4171.800111.4K387 Q388 I389 L394 Q395K387-E391 WeakPolarHBondContact CE-OE1 3.35Å; K387-E391 HydrophobicContact CG-CG 4.46Å; K387-E391 IonicContact NZ-OE1 3.43Å; K387-E391 WeakPolarHBondContact O-CG 2.83Å; K387-E391 PolarHBondContact O-N 3.47Å; Q388-E391 PolarHBondContact NE2-OE2 3.09Å; Q388-E391 PolarHBondContact O-N 2.94Å; I389-E391 PolarHBondContact O-N 3.23Å; E391-L394 PolarHBondContact O-N 2.82Å; E391-Q395 WeakPolarHBondContact O-CG 3.43Å; E391-Q395 PolarHBondContact O-N 2.82Å; E391-Q395 VanDerWaalsContact O-N 3.09Å
392T92.2Very high92.8Very high33 Ų3382.4 Ų82.420%0.20237%0.373CS..Hα-helixtrans-64.1-44.9177.4-53.20000111.6R360 Q388 I389 L394 Q395 L396R360-T392 VanDerWaalsContact NH2-CG2 3.25Å; Q388-T392 WeakPolarHBondContact O-CB 3.48Å; Q388-T392 PolarHBondContact O-N 3.42Å; Q388-T392 PolarHBondContact O-OG1 3.49Å; I389-T392 PolarHBondContact O-N 3.4Å; T392-L394 VanDerWaalsContact C-N 3.33Å; T392-L394 PolarHBondContact O-N 3.27Å; T392-Q395 PolarHBondContact O-N 3.01Å; T392-L396 HydrophobicContact CG2-CD1 4.31Å; T392-L396 WeakPolarHBondContact O-CG 3.43Å; T392-L396 PolarHBondContact O-N 3.35Å
393N93.2Very high92.8Very high66 Ų6688 Ų8835%0.35340%0.397SS..Hα-helixtrans-64.2-38.7179.1-73.2-20.2000112.1I389 Y390 L396 E397I389-N393 WeakPolarHBondContact O-CB 3.17Å; I389-N393 VanDerWaalsContact O-CG 3.31Å; I389-N393 PolarHBondContact O-N 2.93Å; I389-N393 PolarHBondContact O-ND2 3.3Å; Y390-N393 PolarHBondContact O-N 3.43Å; N393-L396 PolarHBondContact O-N 2.97Å; N393-E397 PolarHBondContact O-N 3.5Å
394L94Very high92.8Very high80 Ų8084.2 Ų84.242%0.41940%0.396SS..Hα-helixtrans-62-44.8174.8-178.764.2000111.6Y390 E391 T392 L396 E397 E398Y390-L394 WeakPolarHBondContact O-CB 3.4Å; Y390-L394 PolarHBondContact O-N 2.82Å; E391-L394 PolarHBondContact O-N 2.82Å; T392-L394 VanDerWaalsContact C-N 3.33Å; T392-L394 PolarHBondContact O-N 3.27Å; L394-L396 VanDerWaalsContact C-N 3.34Å; L394-L396 PolarHBondContact O-N 3.14Å; L394-E397 PolarHBondContact O-N 3.21Å; L394-E398 WeakPolarHBondContact O-CG 3.39Å; L394-E398 PolarHBondContact O-N 2.85Å
395Q94.4Very high92.7Very high123 Ų12385.8 Ų85.858%0.57541%0.408SS*.Hα-helixtrans-61.3-42.3176.9-71.2170.65.700111.9E391 T392 E397 E398 E399E391-Q395 WeakPolarHBondContact O-CG 3.43Å; E391-Q395 PolarHBondContact O-N 2.82Å; E391-Q395 VanDerWaalsContact O-N 3.09Å; T392-Q395 PolarHBondContact O-N 3.01Å; Q395-E397 PolarHBondContact O-N 3.45Å; Q395-E398 PolarHBondContact O-N 2.82Å; Q395-E399 WeakPolarHBondContact O-CB 3.37Å; Q395-E399 PolarHBondContact O-N 3.17Å
396L92.2Very high92.5Very high80 Ų8087.7 Ų87.742%0.41943%0.425SS..Hα-helixtrans-63.2-40.7176.2-71.6172.6000112.1T392 N393 L394 Q400T392-L396 HydrophobicContact CG2-CD1 4.31Å; T392-L396 WeakPolarHBondContact O-CG 3.43Å; T392-L396 PolarHBondContact O-N 3.35Å; N393-L396 PolarHBondContact O-N 2.97Å; L394-L396 VanDerWaalsContact C-N 3.34Å; L394-L396 PolarHBondContact O-N 3.14Å; L396-Q400 WeakPolarHBondContact O-CB 3.08Å; L396-Q400 VanDerWaalsContact O-CG 3.27Å; L396-Q400 WeakPolarHBondContact O-CG 3.33Å; L396-Q400 PolarHBondContact O-N 3.38Å
397E92.2Very high92.3Very high94 Ų9491.7 Ų91.744%0.43945%0.446SS..Hα-helixtrans-64-41.1174.8-76.4-171-162.100112.4N393 L394 Q395 Q400 R401N393-E397 PolarHBondContact O-N 3.5Å; L394-E397 PolarHBondContact O-N 3.21Å; Q395-E397 PolarHBondContact O-N 3.45Å; E397-Q400 PolarHBondContact O-N 2.77Å; E397-R401 VanDerWaalsContact O-CG 3.23Å; E397-R401 WeakPolarHBondContact O-CG 3.39Å; E397-R401 PolarHBondContact O-N 3Å; E397-R401 IonicContact OE2-CZ 2.68Å; E397-R401 IonicContact OE2-NH2 3.88Å; E397-R401 PolarHBondContact OE2-NH2 3.41Å
398E93.2Very high92.1Very high105 Ų10593.9 Ų93.949%0.49145%0.451SS..Hα-helixtrans-64.5-44.7177.6-73.3178173.500111.4L394 Q395 Q400 R401 E402L394-E398 WeakPolarHBondContact O-CG 3.39Å; L394-E398 PolarHBondContact O-N 2.85Å; Q395-E398 PolarHBondContact O-N 2.82Å; E398-Q400 VanDerWaalsContact C-N 3.34Å; E398-Q400 PolarHBondContact O-N 3.3Å; E398-R401 WeakPolarHBondContact O-CB 3.28Å; E398-R401 PolarHBondContact O-N 3.3Å; E398-E402 PolarHBondContact O-N 3.32Å
399E93.6Very high91.7Very high87 Ų8794.8 Ų94.841%0.40746%0.458SS..Hα-helixtrans-61.6-41.1176.3-166.7-168.4160.200111.9Q395 E402 K403Q395-E399 WeakPolarHBondContact O-CB 3.37Å; Q395-E399 PolarHBondContact O-N 3.17Å; E399-E402 PolarHBondContact O-N 3.19Å; E399-K403 HydrophobicContact CG-CD 4.4Å; E399-K403 WeakPolarHBondContact O-CB 3.07Å; E399-K403 WeakPolarHBondContact O-CG 3.49Å; E399-K403 PolarHBondContact O-N 3.29Å; E399-K403 VanDerWaalsContact OE1-CE 3.24Å; E399-K403 WeakPolarHBondContact OE1-CE 3.47Å; E399-K403 IonicContact OE1-NZ 3.96Å; E399-K403 PolarHBondContact OE1-NZ 2.84Å
400Q92.6Very high91.2Very high134 Ų134100.6 Ų100.663%0.62648%0.483SS*.Hα-helixtrans-64.5-40.4175-74.3178.710.500112.2L396 E397 E398 E402 K403 A404L396-Q400 WeakPolarHBondContact O-CB 3.08Å; L396-Q400 VanDerWaalsContact O-CG 3.27Å; L396-Q400 WeakPolarHBondContact O-CG 3.33Å; L396-Q400 PolarHBondContact O-N 3.38Å; E397-Q400 PolarHBondContact O-N 2.77Å; E398-Q400 VanDerWaalsContact C-N 3.34Å; E398-Q400 PolarHBondContact O-N 3.3Å; Q400-E402 VanDerWaalsContact C-N 3.34Å; Q400-K403 PolarHBondContact O-N 2.98Å; Q400-A404 WeakPolarHBondContact O-CB 3.41Å; Q400-A404 PolarHBondContact O-N 3.33Å
401R92.1Very high90.5Very high156 Ų15697.8 Ų97.859%0.58948%0.481SS*.Hα-helixtrans-64.1-40.2175.9-72.2170.3-165.1177.810.1111.2E397 E398 A404 L405E397-R401 VanDerWaalsContact O-CG 3.23Å; E397-R401 WeakPolarHBondContact O-CG 3.39Å; E397-R401 PolarHBondContact O-N 3Å; E397-R401 IonicContact OE2-CZ 2.68Å; E397-R401 IonicContact OE2-NH2 3.88Å; E397-R401 PolarHBondContact OE2-NH2 3.41Å; E398-R401 WeakPolarHBondContact O-CB 3.28Å; E398-R401 PolarHBondContact O-N 3.3Å; R401-A404 PolarHBondContact O-N 3.05Å; R401-L405 WeakPolarHBondContact O-CB 3.46Å; R401-L405 PolarHBondContact O-N 3.06Å
402E92.5Very high89.5Confident140 Ų14099.7 Ų99.765%0.65449%0.488SS*.Hα-helixtrans-64.9-46.7176-169.9179.6177.600111.6E398 E399 Q400 A404 L405 A406E398-E402 PolarHBondContact O-N 3.32Å; E399-E402 PolarHBondContact O-N 3.19Å; Q400-E402 VanDerWaalsContact C-N 3.34Å; E402-A404 VanDerWaalsContact C-N 3.32Å; E402-A404 PolarHBondContact O-N 3.19Å; E402-L405 WeakPolarHBondContact O-CB 3.41Å; E402-L405 PolarHBondContact O-N 3.3Å; E402-L405 VanDerWaalsContact O-N 3.14Å; E402-A406 WeakPolarHBondContact O-CB 3.33Å; E402-A406 PolarHBondContact O-N 3.33Å
403K91.9Very high88.3Confident117 Ų117100.6 Ų100.651%0.50950%0.496SS..Hα-helixtrans-58.2-42.4174.4-76170.1171.4168.50112E399 Q400 A406 N407E399-K403 HydrophobicContact CG-CD 4.4Å; E399-K403 WeakPolarHBondContact O-CB 3.07Å; E399-K403 WeakPolarHBondContact O-CG 3.49Å; E399-K403 PolarHBondContact O-N 3.29Å; E399-K403 VanDerWaalsContact OE1-CE 3.24Å; E399-K403 WeakPolarHBondContact OE1-CE 3.47Å; E399-K403 IonicContact OE1-NZ 3.96Å; E399-K403 PolarHBondContact OE1-NZ 2.84Å; Q400-K403 PolarHBondContact O-N 2.98Å; K403-A406 PolarHBondContact O-N 2.73Å; K403-N407 WeakPolarHBondContact O-CB 3.31Å; K403-N407 PolarHBondContact O-N 3.49Å
404A91.1Very high87Confident62 Ų62103.7 Ų103.751%0.51251%0.508SS..Hα-helixtrans-65-39.5176.100000112.3Q400 R401 E402 R408Q400-A404 WeakPolarHBondContact O-CB 3.41Å; Q400-A404 PolarHBondContact O-N 3.33Å; R401-A404 PolarHBondContact O-N 3.05Å; E402-A404 VanDerWaalsContact C-N 3.32Å; E402-A404 PolarHBondContact O-N 3.19Å; A404-R408 WeakPolarHBondContact O-CB 3.41Å; A404-R408 PolarHBondContact O-N 3.42Å
405L90.2Very high85.4Confident100 Ų100109.5 Ų109.552%0.52453%0.525SS..Hα-helixtrans-66.4-42.5175.6-169.473.6000111.5R401 E402 R408 N409R401-L405 WeakPolarHBondContact O-CB 3.46Å; R401-L405 PolarHBondContact O-N 3.06Å; E402-L405 WeakPolarHBondContact O-CB 3.41Å; E402-L405 PolarHBondContact O-N 3.3Å; E402-L405 VanDerWaalsContact O-N 3.14Å; L405-R408 WeakPolarHBondContact O-CB 3.33Å; L405-R408 PolarHBondContact O-N 3.43Å; L405-N409 VanDerWaalsContact O-CG 3.3Å; L405-N409 PolarHBondContact O-N 3.18Å; L405-N409 PolarHBondContact O-ND2 3.29Å
406A89.5Confident83.6Confident46 Ų46108.1 Ų108.138%0.3853%0.525SS..Hα-helixtrans-62-44.8176.500000111.8E402 K403 R408 N409 K410E402-A406 WeakPolarHBondContact O-CB 3.33Å; E402-A406 PolarHBondContact O-N 3.33Å; K403-A406 PolarHBondContact O-N 2.73Å; A406-R408 VanDerWaalsContact C-N 3.35Å; A406-R408 PolarHBondContact O-N 3.4Å; A406-N409 PolarHBondContact O-N 2.74Å; A406-K410 PolarHBondContact O-N 3.34Å
407N89Confident81.9Confident97 Ų97111.7 Ų111.752%0.51954%0.537SS..Hα-helixtrans-63.1-41174.9-74.8-12.9000111.7K403 N409 K410 V411K403-N407 WeakPolarHBondContact O-CB 3.31Å; K403-N407 PolarHBondContact O-N 3.49Å; N407-N409 VanDerWaalsContact C-N 3.3Å; N407-N409 PolarHBondContact O-N 3.06Å; N407-K410 PolarHBondContact O-N 3.08Å; N407-V411 WeakPolarHBondContact O-CG2 3.47Å; N407-V411 PolarHBondContact O-N 3.48Å
408R87.2Confident80.2Confident162 Ų162108.8 Ų108.861%0.61153%0.532SS*.Hα-helixtrans-61.7-38.5174.6-175.4176.1178177.4-3.8112.1A404 L405 A406 K412A404-R408 WeakPolarHBondContact O-CB 3.41Å; A404-R408 PolarHBondContact O-N 3.42Å; L405-R408 WeakPolarHBondContact O-CB 3.33Å; L405-R408 PolarHBondContact O-N 3.43Å; A406-R408 VanDerWaalsContact C-N 3.35Å; A406-R408 PolarHBondContact O-N 3.4Å; R408-K412 WeakPolarHBondContact O-CG 3.28Å; R408-K412 PolarHBondContact O-N 3.14Å; R408-K412 VanDerWaalsContact O-N 3.1Å
409N85.1Confident78.3Confident82 Ų82109.3 Ų109.344%0.43954%0.537SS..Hα-helixtrans-71.3-38.7177.4-70.3-18.1000112L405 A406 N407 K412 S413L405-N409 VanDerWaalsContact O-CG 3.3Å; L405-N409 PolarHBondContact O-N 3.18Å; L405-N409 PolarHBondContact O-ND2 3.29Å; A406-N409 PolarHBondContact O-N 2.74Å; N407-N409 VanDerWaalsContact C-N 3.3Å; N407-N409 PolarHBondContact O-N 3.06Å; N409-K412 PolarHBondContact O-N 3.42Å; N409-S413 PolarHBondContact O-N 3.2Å
410K81.5Confident76.3Confident126 Ų126111.1 Ų111.155%0.54855%0.549SS..Hα-helixtrans-59.7-50.1172-76.5-178179.3179.20111.9A406 N407 K412 S413 E414A406-K410 PolarHBondContact O-N 3.34Å; N407-K410 PolarHBondContact O-N 3.08Å; K410-K412 VanDerWaalsContact C-N 3.29Å; K410-K412 PolarHBondContact O-N 3.17Å; K410-S413 WeakPolarHBondContact O-CA 3.19Å; K410-S413 PolarHBondContact O-N 3.06Å; K410-S413 PolarHBondContact O-OG 3.29Å; K410-E414 PolarHBondContact O-N 3.31Å
411V78.3Confident74.5Confident89 Ų89111.3 Ų111.354%0.53955%0.55SS.*Hα-helixtrans-59.9-39.4177.9173.60000111.4N407 R415N407-V411 WeakPolarHBondContact O-CG2 3.47Å; N407-V411 PolarHBondContact O-N 3.48Å; V411-R415 WeakPolarHBondContact O-CB 3.49Å; V411-R415 PolarHBondContact O-N 3.13Å
412K74Confident72.5Confident114 Ų114109.8 Ų109.850%0.49655%0.55SS..Hα-helixtrans-62.9-40.1173.3-76.6177.7178.5-178.70112.3R408 N409 K410 T416R408-K412 WeakPolarHBondContact O-CG 3.28Å; R408-K412 PolarHBondContact O-N 3.14Å; R408-K412 VanDerWaalsContact O-N 3.1Å; N409-K412 PolarHBondContact O-N 3.42Å; K410-K412 VanDerWaalsContact C-N 3.29Å; K410-K412 PolarHBondContact O-N 3.17Å; K412-T416 PolarHBondContact O-N 3.32Å; K412-T416 PolarHBondContact O-OG1 3.22Å
413S67.1Low70.5Confident53 Ų53106.5 Ų106.537%0.37154%0.539SS..Hα-helixtrans-70-3817975.70000113.1N409 K410 T416 K417N409-S413 PolarHBondContact O-N 3.2Å; K410-S413 WeakPolarHBondContact O-CA 3.19Å; K410-S413 PolarHBondContact O-N 3.06Å; K410-S413 PolarHBondContact O-OG 3.29Å; S413-T416 VanDerWaalsContact CA-OG1 3.28Å; S413-T416 WeakPolarHBondContact CA-OG1 3.5Å; S413-T416 PolarHBondContact O-N 3.45Å; S413-T416 PolarHBondContact O-OG1 3.37Å; S413-K417 WeakPolarHBondContact O-CG 3.29Å; S413-K417 PolarHBondContact O-N 2.92Å
414E66.2Low68.5Low130 Ų130104.4 Ų104.461%0.60754%0.54SS*.Hα-helixtrans-71.9-38.7175.4-72.417617800111.4K410 T416 K417 G418K410-E414 PolarHBondContact O-N 3.31Å; E414-T416 VanDerWaalsContact C-N 3.28Å; E414-T416 PolarHBondContact O-N 3.01Å; E414-K417 PolarHBondContact O-N 3.46Å; E414-G418 PolarHBondContact O-N 3.35Å
415R59Low66.5Low202 Ų202110.4 Ų110.476%0.76255%0.549SS*.Hα-helixtrans-65-34.1175.9-158.3174.3-169.91802.8111.9V411 L419V411-R415 WeakPolarHBondContact O-CB 3.49Å; V411-R415 PolarHBondContact O-N 3.13Å; R415-L419 WeakPolarHBondContact O-CB 3.38Å; R415-L419 PolarHBondContact O-N 3.35Å; R415-L419 VanDerWaalsContact O-N 3.14Å
416T57.7Low64.4Low94 Ų94109.5 Ų109.558%0.57754%0.544SS*.Hα-helixtrans-72-38.8172.532.90000112.2K412 S413 E414 L419 L420K412-T416 PolarHBondContact O-N 3.32Å; K412-T416 PolarHBondContact O-OG1 3.22Å; S413-T416 VanDerWaalsContact CA-OG1 3.28Å; S413-T416 WeakPolarHBondContact CA-OG1 3.5Å; S413-T416 PolarHBondContact O-N 3.45Å; S413-T416 PolarHBondContact O-OG1 3.37Å; E414-T416 VanDerWaalsContact C-N 3.28Å; E414-T416 PolarHBondContact O-N 3.01Å; T416-L419 PolarHBondContact O-N 3.48Å; T416-L420 PolarHBondContact O-N 2.91Å
417K57Low62.6Low156 Ų156114.3 Ų114.368%0.67856%0.559SS**Hα-helixtrans-63.8-45.1172.5-75-180178.9-177.40112.9S413 E414 L419 L420 E421S413-K417 WeakPolarHBondContact O-CG 3.29Å; S413-K417 PolarHBondContact O-N 2.92Å; E414-K417 PolarHBondContact O-N 3.46Å; K417-L419 VanDerWaalsContact C-N 3.32Å; K417-L419 PolarHBondContact O-N 3.36Å; K417-L420 WeakPolarHBondContact O-CB 3.44Å; K417-L420 PolarHBondContact O-N 3.19Å; K417-L420 VanDerWaalsContact O-N 3.08Å; K417-E421 PolarHBondContact O-N 2.94Å
418G55.9Low60.5Low32 Ų32120 Ų12033%0.3357%0.574SS.*Hα-helixtrans-64.7-34.1178.100000113.1E414 L420 E421 Q422E414-G418 PolarHBondContact O-N 3.35Å; G418-L420 VanDerWaalsContact C-N 3.31Å; G418-E421 PolarHBondContact O-N 2.92Å; G418-Q422 WeakPolarHBondContact O-CB 3.32Å; G418-Q422 PolarHBondContact O-N 2.91Å
419L53.4Low58.5Low116 Ų116120 Ų12061%0.60758%0.578SS**Hα-helixtrans-67.1-33.7172.5-150.679.6000111.7R415 T416 K417 T423R415-L419 WeakPolarHBondContact O-CB 3.38Å; R415-L419 PolarHBondContact O-N 3.35Å; R415-L419 VanDerWaalsContact O-N 3.14Å; T416-L419 PolarHBondContact O-N 3.48Å; K417-L419 VanDerWaalsContact C-N 3.32Å; K417-L419 PolarHBondContact O-N 3.36Å; L419-T423 WeakPolarHBondContact O-CG2 3.43Å; L419-T423 PolarHBondContact O-N 3.48Å; L419-T423 PolarHBondContact O-OG1 3.14Å
420L51.5Low56.7Low126 Ų126123.7 Ų123.766%0.6659%0.592SS**Hα-helixtrans-73-34.2177.2-153.172.1000112.6T416 K417 G418 T423 S424T416-L420 PolarHBondContact O-N 2.91Å; K417-L420 WeakPolarHBondContact O-CB 3.44Å; K417-L420 PolarHBondContact O-N 3.19Å; K417-L420 VanDerWaalsContact O-N 3.08Å; G418-L420 VanDerWaalsContact C-N 3.31Å; L420-T423 WeakPolarHBondContact CA-OG1 3.23Å; L420-T423 PolarHBondContact O-OG1 3.35Å; L420-S424 PolarHBondContact O-N 2.87Å; L420-S424 PolarHBondContact O-OG 3.03Å
421E53.5Low54.9Low138 Ų138126.1 Ų126.165%0.64561%0.606SS**Hα-helixtrans-75.6-36.9172.8-81.9-168159.700113.1K417 G418 T423 S424 R425K417-E421 PolarHBondContact O-N 2.94Å; G418-E421 PolarHBondContact O-N 2.92Å; E421-T423 VanDerWaalsContact C-N 3.32Å; E421-T423 PolarHBondContact O-N 3.16Å; E421-S424 PolarHBondContact O-N 3.22Å; E421-R425 PolarHBondContact O-N 3.06Å
422Q51.6Low53.1Low124 Ų124129 Ų12958%0.57961%0.613SS**Hα-helixtrans-67.4-33.2175.5-79.6-167.9-14.600112.2G418 S424 R425 N426G418-Q422 WeakPolarHBondContact O-CB 3.32Å; G418-Q422 PolarHBondContact O-N 2.91Å; Q422-S424 VanDerWaalsContact C-N 3.32Å; Q422-R425 PolarHBondContact O-N 3.24Å; Q422-N426 WeakPolarHBondContact O-CB 3.32Å; Q422-N426 PolarHBondContact O-N 2.79Å; Q422-N426 PolarHBondContact O-ND2 3.43Å
423T50Low51.4Low70 Ų70132.2 Ų132.243%0.42963%0.63SS.*Hα-helixtrans-65.4-37171.645.20000111.5L419 L420 E421 Q427L419-T423 WeakPolarHBondContact O-CG2 3.43Å; L419-T423 PolarHBondContact O-N 3.48Å; L419-T423 PolarHBondContact O-OG1 3.14Å; L420-T423 WeakPolarHBondContact CA-OG1 3.23Å; L420-T423 PolarHBondContact O-OG1 3.35Å; E421-T423 VanDerWaalsContact C-N 3.32Å; E421-T423 PolarHBondContact O-N 3.16Å; T423-Q427 WeakPolarHBondContact O-CG 3.28Å; T423-Q427 PolarHBondContact O-N 2.88Å
424S50.2Low49.6Very low74 Ų74133.6 Ų133.652%0.51765%0.653SS.*Hα-helixtrans-70.2-37.3175.3-62.40000113.5L420 E421 Q422 R428L420-S424 PolarHBondContact O-N 2.87Å; L420-S424 PolarHBondContact O-OG 3.03Å; E421-S424 PolarHBondContact O-N 3.22Å; Q422-S424 VanDerWaalsContact C-N 3.32Å; S424-R428 PolarHBondContact O-N 3.37Å
425R47.9Very low47.9Very low188 Ų188138.3 Ų138.371%0.70967%0.665SS**Hα-helixtrans-75.1-34.3174.5-77.2-174.6177.9176.91.4112.9E421 Q422 Q427 R428 K429E421-R425 PolarHBondContact O-N 3.06Å; Q422-R425 PolarHBondContact O-N 3.24Å; R425-Q427 VanDerWaalsContact C-N 3.35Å; R425-R428 PolarHBondContact O-N 3.09Å; R425-K429 PolarHBondContact O-N 3.27Å
426N47.5Very low46.6Very low80 Ų80136.4 Ų136.443%0.42867%0.667SS.*Hα-helixtrans-71.5-30.5176.2-74.5-17.7000111.9Q422 R428 K429 Q430Q422-N426 WeakPolarHBondContact O-CB 3.32Å; Q422-N426 PolarHBondContact O-N 2.79Å; Q422-N426 PolarHBondContact O-ND2 3.43Å; N426-R428 VanDerWaalsContact C-N 3.3Å; N426-R428 PolarHBondContact O-N 3.36Å; N426-K429 PolarHBondContact O-N 3.2Å; N426-Q430 WeakPolarHBondContact O-CB 3.32Å; N426-Q430 VanDerWaalsContact O-CG 3.22Å; N426-Q430 WeakPolarHBondContact O-CG 3.42Å; N426-Q430 PolarHBondContact O-N 3.46Å
427Q50Low45.2Very low148 Ų148142 Ų14269%0.69268%0.683SS**Hα-helixtrans-65-34.7169-77.1-175.44.400112.3T423 R425T423-Q427 WeakPolarHBondContact O-CG 3.28Å; T423-Q427 PolarHBondContact O-N 2.88Å; R425-Q427 VanDerWaalsContact C-N 3.35Å
428R46.9Very low44.1Very low217 Ų217138 Ų13882%0.81969%0.686SS**Hα-helixtrans-75.8-30.4174.3-77.4-172.7175-178.8-0.5114.1S424 R425 N426S424-R428 PolarHBondContact O-N 3.37Å; R425-R428 PolarHBondContact O-N 3.09Å; N426-R428 VanDerWaalsContact C-N 3.3Å; N426-R428 PolarHBondContact O-N 3.36Å
429K45Very low43Very low162 Ų162144.3 Ų144.370%0.70471%0.712SS**Hα-helixtrans-89.1-23.3178-77.1-168.6174.3-172.30114.5R425 N426 Q431 Q432R425-K429 PolarHBondContact O-N 3.27Å; N426-K429 PolarHBondContact O-N 3.2Å; K429-Q431 PolarHBondContact O-N 3.43Å; K429-Q432 CarbonylContact O-C 3.43Å; K429-Q432 PolarHBondContact O-N 3.09Å
430Q45.9Very low42.2Very low159 Ų159146.7 Ų146.774%0.74373%0.725SS**THydrogen-bonded Turntrans-70.4-12.4176.5-77.6177.416.100113.5N426 Q432N426-Q430 WeakPolarHBondContact O-CB 3.32Å; N426-Q430 VanDerWaalsContact O-CG 3.22Å; N426-Q430 WeakPolarHBondContact O-CG 3.42Å; N426-Q430 PolarHBondContact O-N 3.46Å; Q430-Q432 VanDerWaalsContact C-N 3.26Å
431Q44.9Very low41.5Very low177 Ų177149.9 Ų149.983%0.82773%0.734SS**THydrogen-bonded Turntrans-78.9-4.8165.7-80.8-175.56.800114K429K429-Q431 PolarHBondContact O-N 3.43Å
432Q40.5Very low41Very low149 Ų149148.9 Ų148.970%0.69674%0.739SS**SBendtrans-131.3105.9175.5-68.3-175.426.100111.2K429 Q430K429-Q432 CarbonylContact O-C 3.43Å; K429-Q432 PolarHBondContact O-N 3.09Å; Q430-Q432 VanDerWaalsContact C-N 3.26Å
433Q36.9Very low40.5Very low182 Ų182150.5 Ų150.585%0.8575%0.747SS**  trans81.998.3154.1-58.7176.17.600116.7
434G30.4Very low40.3Very low82 Ų82154 Ų15485%0.84576%0.762SS**  trans-71.1116.9146.600000109.9
435R30.7Very low40.3Very low229 Ų229157.5 Ų157.586%0.86477%0.77SS**  trans-167.2140142.9-133.2174.5168.7164.6-3.8111.1
436M31.1Very low40.4Very low162 Ų162155.1 Ų155.180%0.79877%0.767SS**  trans87.497.6161.3-50.7-54.6-79.400117.9
437K29Very low40.4Very low212 Ų212155.4 Ų155.492%0.92277%0.769SS**  trans-55.5129.6154.7-66.8173.2174178.20109.8
438G33.3Very low40.4Very low71 Ų71154.8 Ų154.873%0.73277%0.766SS**  trans-141.3110.4169.300000109.4N440G438-N440 PolarHBondContact O-N 3.07Å
439N32.1Very low41Very low165 Ų165148.6 Ų148.688%0.88275%0.752SS**  trans-59.9123.8177.7-74.7-25000110.9
440N38Very low41.7Very low165 Ų165147.5 Ų147.588%0.88275%0.75SS**  trans-132.8136.6159.6-93.8-25000111.2G438G438-N440 PolarHBondContact O-N 3.07Å
441K36.6Very low42.2Very low193 Ų193147.1 Ų147.184%0.83975%0.746SS**  trans-69.1155.8-155.2-68.2165.9172.5175.50115.1
442P42.4Very low42.9Very low117 Ų117147.8 Ų147.876%0.7674%0.741SS**  trans-88.5110176.133.4-28.7000111.4
443Q42.1Very low44.4Very low158 Ų158143.9 Ų143.974%0.73873%0.727SS**  trans-109.88170.2-156.71587.100112.7
444L45.3Very low45.6Very low145 Ų145144.2 Ų144.276%0.75972%0.721SS**SBendtrans-86-14.9-177.1-96.5151.3000114.5
445Q49.6Very low47.2Very low146 Ų146150 Ų15068%0.68272%0.717SS**Hα-helixtrans-82.3-25.7-174.8-116160.111.400114.2
446Q50.3Low49Very low138 Ų138145.3 Ų145.365%0.64571%0.705SS**Hα-helixtrans-70.1-34.3178.1-78.2-178.6-21.200112.7E448 T449 E450Q446-E448 PolarHBondContact O-N 2.9Å; Q446-T449 PolarHBondContact O-N 3.49Å; Q446-T449 PolarHBondContact O-OG1 3.41Å; Q446-E450 PolarHBondContact O-N 3.48Å
447N47.5Very low50.8Low86 Ų86146.9 Ų146.946%0.4670%0.702SS.*Hα-helixtrans-68.3-37179.9-69.1-9000111.6T449 E450 F451N447-T449 VanDerWaalsContact C-N 3.3Å; N447-T449 PolarHBondContact O-N 3.34Å; N447-E450 PolarHBondContact O-N 3.18Å; N447-F451 HydrophobicContact CB-CD2 4.4Å; N447-F451 HydrophobicContact CB-CE2 4.3Å; N447-F451 WeakPolarHBondContact O-CD2 3.5Å; N447-F451 PolarHBondContact O-N 3.21Å
448E49.9Very low52.2Low135 Ų135141.1 Ų141.163%0.63168%0.681SS**Hα-helixtrans-63.4-35.8178.3-77.8-167.2148.400112.9Q446 R452Q446-E448 PolarHBondContact O-N 2.9Å; E448-R452 PolarHBondContact O-N 3.31Å
449T60.7Low53.4Low88 Ų88143.3 Ų143.354%0.5467%0.671SS.*Hα-helixtrans-65.5-43.3176.539.10000112.2Q446 N447 R452 T453Q446-T449 PolarHBondContact O-N 3.49Å; Q446-T449 PolarHBondContact O-OG1 3.41Å; N447-T449 VanDerWaalsContact C-N 3.3Å; N447-T449 PolarHBondContact O-N 3.34Å; T449-R452 PolarHBondContact O-N 3.25Å; T449-T453 PolarHBondContact O-N 3.29Å; T449-T453 PolarHBondContact O-OG1 3.29Å
450E59.5Low54.8Low138 Ų138142.8 Ų142.865%0.64566%0.661SS**Hα-helixtrans-66-40.8176.7-72.2-170.3158.500112.3Q446 N447 R452 T453 R454Q446-E450 PolarHBondContact O-N 3.48Å; N447-E450 PolarHBondContact O-N 3.18Å; E450-R452 VanDerWaalsContact C-N 3.31Å; E450-R452 PolarHBondContact O-N 3.26Å; E450-T453 WeakPolarHBondContact CA-OG1 3.49Å; E450-T453 PolarHBondContact O-N 3.22Å; E450-T453 PolarHBondContact O-OG1 3.33Å; E450-R454 PolarHBondContact O-N 3.27Å
451F55Low55.5Low151 Ų151140.3 Ų140.366%0.66265%0.647SS**Hα-helixtrans-62.3-37.9175.8-81.2-64.7000112.1N447 R455N447-F451 HydrophobicContact CB-CD2 4.4Å; N447-F451 HydrophobicContact CB-CE2 4.3Å; N447-F451 WeakPolarHBondContact O-CD2 3.5Å; N447-F451 PolarHBondContact O-N 3.21Å; F451-R455 PolarHBondContact O-N 3.13Å
452R60.1Low56.1Low191 Ų191137.9 Ų137.972%0.72164%0.637SS**Hα-helixtrans-66.6-44.2174.5-90-176.9170-175.9-1.7112.2E448 T449 E450 R454 R455 Q456E448-R452 PolarHBondContact O-N 3.31Å; T449-R452 PolarHBondContact O-N 3.25Å; E450-R452 VanDerWaalsContact C-N 3.31Å; E450-R452 PolarHBondContact O-N 3.26Å; R452-R454 VanDerWaalsContact C-N 3.32Å; R452-R454 PolarHBondContact O-N 2.93Å; R452-R455 PolarHBondContact O-N 2.66Å; R452-Q456 WeakPolarHBondContact O-CG 3.42Å; R452-Q456 PolarHBondContact O-N 3.04Å; R452-Q456 VanDerWaalsContact O-N 3.09Å
453T71.2Confident56.4Low68 Ų68135.7 Ų135.742%0.41762%0.619SS.*Hα-helixtrans-63.3-39.8178.82.30000111.3T449 E450 Q456 R457T449-T453 PolarHBondContact O-N 3.29Å; T449-T453 PolarHBondContact O-OG1 3.29Å; E450-T453 WeakPolarHBondContact CA-OG1 3.49Å; E450-T453 PolarHBondContact O-N 3.22Å; E450-T453 PolarHBondContact O-OG1 3.33Å; T453-Q456 PolarHBondContact O-N 3.09Å; T453-R457 PolarHBondContact O-N 3.17Å; T453-R457 VanDerWaalsContact O-N 3.09Å
454R62.2Low56.7Low189 Ų189132.6 Ų132.671%0.71361%0.607SS**Hα-helixtrans-65.9-39.6178.3-167135.8-171.9151.30.7112.6E450 R452 R457 I458E450-R454 PolarHBondContact O-N 3.27Å; R452-R454 VanDerWaalsContact C-N 3.32Å; R452-R454 PolarHBondContact O-N 2.93Å; R454-R457 PolarHBondContact O-N 3.37Å; R454-I458 WeakPolarHBondContact O-CG1 3.2Å; R454-I458 PolarHBondContact O-N 3.31Å
455R64Low56.6Low203 Ų203130.7 Ų130.777%0.76660%0.597SS**Hα-helixtrans-64.4-41.1174.5-79.3-173.9173.3-162.8-0.6112.7F451 R452 I458 H459F451-R455 PolarHBondContact O-N 3.13Å; R452-R455 PolarHBondContact O-N 2.66Å; R455-I458 PolarHBondContact O-N 3.43Å; R455-H459 PolarHBondContact O-N 3.1Å
456Q69.8Low56.2Low131 Ų131129.1 Ų129.161%0.61259%0.592SS**Hα-helixtrans-63.7-40.1177.4-73.6176-1700112R452 T453 I458 H459 K460R452-Q456 WeakPolarHBondContact O-CG 3.42Å; R452-Q456 PolarHBondContact O-N 3.04Å; R452-Q456 VanDerWaalsContact O-N 3.09Å; T453-Q456 PolarHBondContact O-N 3.09Å; Q456-I458 VanDerWaalsContact C-N 3.34Å; Q456-I458 PolarHBondContact O-N 2.82Å; Q456-H459 PolarHBondContact O-N 3.28Å; Q456-K460 PolarHBondContact O-N 3.17Å
457R67.9Low55.9Low194 Ų194126 Ų12673%0.73258%0.583SS**Hα-helixtrans-61.1-41174.2-75.1-177.4-180168.51.1112.4T453 R454 K460 L461T453-R457 PolarHBondContact O-N 3.17Å; T453-R457 VanDerWaalsContact O-N 3.09Å; R454-R457 PolarHBondContact O-N 3.37Å; R457-K460 PolarHBondContact O-N 2.85Å; R457-L461 PolarHBondContact O-N 3.38Å
458I59.3Low55.3Low92 Ų92128.1 Ų128.147%0.47259%0.593SS.*Hα-helixtrans-65.8-41176.9-66.5169.4000111.1R454 R455 Q456 L461 K462R454-I458 WeakPolarHBondContact O-CG1 3.2Å; R454-I458 PolarHBondContact O-N 3.31Å; R455-I458 PolarHBondContact O-N 3.43Å; Q456-I458 VanDerWaalsContact C-N 3.34Å; Q456-I458 PolarHBondContact O-N 2.82Å; I458-L461 PolarHBondContact O-N 2.93Å; I458-K462 PolarHBondContact O-N 3.3Å
459H57.5Low54.5Low116 Ų116130.7 Ų130.754%0.53760%0.598SS.*Hα-helixtrans-64.4-44.9177.6-152.7-72.9000111.4R455 Q456 L461 K462 D463R455-H459 PolarHBondContact O-N 3.1Å; Q456-H459 PolarHBondContact O-N 3.28Å; H459-L461 VanDerWaalsContact C-N 3.26Å; H459-L461 PolarHBondContact O-N 3.01Å; H459-K462 WeakPolarHBondContact O-CB 3.47Å; H459-K462 PolarHBondContact O-N 3.32Å; H459-K462 VanDerWaalsContact O-N 3.1Å; H459-D463 IonicContact CE1-OD1 3.33Å; H459-D463 IonicContact CE1-OD2 3.05Å; H459-D463 PolarHBondContact CE1-OD2 3.39Å; H459-D463 IonicContact ND1-OD1 2.86Å; H459-D463 IonicContact ND1-OD2 2.87Å; H459-D463 PolarHBondContact ND1-OD2 3.17Å; H459-D463 PolarHBondContact O-N 3.06Å
460K63.1Low53.4Low155 Ų155131.1 Ų131.167%0.67460%0.6SS**Hα-helixtrans-58-38.4175.2-125.3179.3-177.9-177.50112.4Q456 R457 N464Q456-K460 PolarHBondContact O-N 3.17Å; R457-K460 PolarHBondContact O-N 2.85Å; K460-N464 WeakPolarHBondContact O-CB 3.46Å; K460-N464 VanDerWaalsContact O-CG 3.31Å; K460-N464 PolarHBondContact O-N 3Å
461L52.6Low52.2Low113 Ų113133 Ų13359%0.59261%0.606SS**Hα-helixtrans-68.6-39.5177.1-160.674.7000111.8R457 I458 H459 I465R457-L461 PolarHBondContact O-N 3.38Å; I458-L461 PolarHBondContact O-N 2.93Å; H459-L461 VanDerWaalsContact C-N 3.26Å; H459-L461 PolarHBondContact O-N 3.01Å; L461-I465 WeakPolarHBondContact O-CD1 3.39Å; L461-I465 VanDerWaalsContact O-CG1 3.29Å; L461-I465 WeakPolarHBondContact O-CG1 3.3Å; L461-I465 PolarHBondContact O-N 2.87Å; L461-I465 VanDerWaalsContact O-N 3.17Å
462K48.8Very low51Low141 Ų141136.3 Ų136.361%0.61361%0.614SS**Hα-helixtrans-64.5-42.9174.8-77.2-173.4174.8-171.60112.3I458 H459 I465 L466I458-K462 PolarHBondContact O-N 3.3Å; H459-K462 WeakPolarHBondContact O-CB 3.47Å; H459-K462 PolarHBondContact O-N 3.32Å; H459-K462 VanDerWaalsContact O-N 3.1Å; K462-I465 PolarHBondContact O-N 2.97Å; K462-L466 PolarHBondContact O-N 2.84Å
463D47.5Very low49.6Very low71 Ų71137 Ų13738%0.3862%0.618SS.*Hα-helixtrans-68.2-38.5179.6-63.9-28.7000111.4H459 I465 L466 T467H459-D463 IonicContact CE1-OD1 3.33Å; H459-D463 IonicContact CE1-OD2 3.05Å; H459-D463 PolarHBondContact CE1-OD2 3.39Å; H459-D463 IonicContact ND1-OD1 2.86Å; H459-D463 IonicContact ND1-OD2 2.87Å; H459-D463 PolarHBondContact ND1-OD2 3.17Å; H459-D463 PolarHBondContact O-N 3.06Å; D463-I465 VanDerWaalsContact C-N 3.32Å; D463-I465 PolarHBondContact O-N 3.02Å; D463-L466 WeakPolarHBondContact O-CB 3.19Å; D463-L466 PolarHBondContact O-N 3.45Å; D463-L466 VanDerWaalsContact O-N 3.07Å; D463-T467 PolarHBondContact O-N 3.43Å; D463-T467 PolarHBondContact O-OG1 3.32Å; D463-T467 VanDerWaalsContact O-OG1 3.14Å
464N48.3Very low47.6Very low94 Ų94139.3 Ų139.350%0.50364%0.637SS.*Hα-helixtrans-59.8-42.6173.5-80.1-8.4000111.8K460 L466 T467 L468K460-N464 WeakPolarHBondContact O-CB 3.46Å; K460-N464 VanDerWaalsContact O-CG 3.31Å; K460-N464 PolarHBondContact O-N 3Å; N464-L466 VanDerWaalsContact C-N 3.28Å; N464-L466 PolarHBondContact O-N 3.3Å; N464-T467 WeakPolarHBondContact CA-OG1 3.48Å; N464-T467 PolarHBondContact O-N 3.48Å; N464-T467 PolarHBondContact O-OG1 2.99Å; N464-L468 WeakPolarHBondContact O-CG 3.37Å; N464-L468 PolarHBondContact O-N 3.08Å; N464-L468 VanDerWaalsContact O-N 3.08Å
465I44.4Very low45.9Very low105 Ų105134.8 Ų134.854%0.53864%0.64SS.*Hα-helixtrans-63.3-36.7175.1-66.8165.9000110.8L461 K462 D463L461-I465 WeakPolarHBondContact O-CD1 3.39Å; L461-I465 VanDerWaalsContact O-CG1 3.29Å; L461-I465 WeakPolarHBondContact O-CG1 3.3Å; L461-I465 PolarHBondContact O-N 2.87Å; L461-I465 VanDerWaalsContact O-N 3.17Å; K462-I465 PolarHBondContact O-N 2.97Å; D463-I465 VanDerWaalsContact C-N 3.32Å; D463-I465 PolarHBondContact O-N 3.02Å
466L40Very low44.2Very low112 Ų112133.2 Ų133.259%0.58665%0.647SS**Hα-helixtrans-70.4-40.4177.8-155.672.2000112.2K462 D463 N464 R469 T470K462-L466 PolarHBondContact O-N 2.84Å; D463-L466 WeakPolarHBondContact O-CB 3.19Å; D463-L466 PolarHBondContact O-N 3.45Å; D463-L466 VanDerWaalsContact O-N 3.07Å; N464-L466 VanDerWaalsContact C-N 3.28Å; N464-L466 PolarHBondContact O-N 3.3Å; L466-R469 VanDerWaalsContact O-CB 3.3Å; L466-R469 WeakPolarHBondContact O-CB 3.38Å; L466-R469 PolarHBondContact O-N 3.49Å; L466-R469 VanDerWaalsContact O-N 3.12Å; L466-T470 PolarHBondContact O-N 3.18Å
467T44.5Very low42.2Very low74 Ų74135 Ų13545%0.45466%0.655SS.*Hα-helixtrans-70.2-29.3177.647.90000114.3D463 N464 R469 T470D463-T467 PolarHBondContact O-N 3.43Å; D463-T467 PolarHBondContact O-OG1 3.32Å; D463-T467 VanDerWaalsContact O-OG1 3.14Å; N464-T467 WeakPolarHBondContact CA-OG1 3.48Å; N464-T467 PolarHBondContact O-N 3.48Å; N464-T467 PolarHBondContact O-OG1 2.99Å; T467-R469 PolarHBondContact O-N 3.31Å; T467-T470 PolarHBondContact O-N 2.9Å; T467-T470 PolarHBondContact O-OG1 3.16Å
468L34.9Very low40.2Very low129 Ų129137.1 Ų137.168%0.67567%0.665SS**Hα-helixtrans-68.5-21171-71.7171.7000112.2N464N464-L468 WeakPolarHBondContact O-CG 3.37Å; N464-L468 PolarHBondContact O-N 3.08Å; N464-L468 VanDerWaalsContact O-N 3.08Å
469R32.7Very low38.6Very low190 Ų190140.9 Ų140.972%0.71768%0.68SS**Hα-helixtrans-80-35.8176.4-114.1177178.4165-1.8113.2L466 T467L466-R469 VanDerWaalsContact O-CB 3.3Å; L466-R469 WeakPolarHBondContact O-CB 3.38Å; L466-R469 PolarHBondContact O-N 3.49Å; L466-R469 VanDerWaalsContact O-N 3.12Å; T467-R469 PolarHBondContact O-N 3.31Å
470T38.2Very low37.1Very low97 Ų97144.6 Ų144.660%0.59570%0.695SS**Hα-helixtrans-76.3-24.5-179.249.60000113.2L466 T467 R472L466-T470 PolarHBondContact O-N 3.18Å; T467-T470 PolarHBondContact O-N 2.9Å; T467-T470 PolarHBondContact O-OG1 3.16Å; T470-R472 PolarHBondContact O-N 3.21Å
471K33.5Very low35.2Very low177 Ų177148.2 Ų148.277%0.7771%0.705SS**THydrogen-bonded Turntrans-73.6-1.5178.5-74.2-170175.8-174.80115.8
472R30Very low33.9Very low221 Ų221150.1 Ų150.183%0.83472%0.715SS**THydrogen-bonded Turntrans-1042.6177.6-76-172.1178.41690.3115.4T470T470-R472 PolarHBondContact O-N 3.21Å
473Y31.1Very low32.8Very low205 Ų205150 Ų15080%0.80473%0.726SS**  trans-119.977.7173.1-66.6-78.6000110.1
474S29.5Very low31.7Very low116 Ų116155.9 Ų155.981%0.81175%0.752SS**  trans-149.959.1166.9-65.40000108.2
475A26.7Very low30.7Very low94 Ų94157 Ų15778%0.77777%0.767SS**  trans-137.936.3174.700000111
476D28.6Very low29.7Very low170 Ų170156.9 Ų156.991%0.90978%0.776SS**  trans-97.768.7164.2-78.4-24.4000108.8
477Q27.9Very low29Very low168 Ų168159.9 Ų159.979%0.78579%0.791SS**  trans-137.566.3164.2-76.1-155.714.200110
478Y25.7Very low28Very low239 Ų239160.2 Ų160.294%0.93780%0.802SS**  trans-123.994.8149.9-97.2-87.7000108.4
479Q26.1Very low27.6Very low171 Ų171161.8 Ų161.880%0.79981%0.81SS**  trans-67.4130.8176.6-70.1-178.7-5.600110.8
480K24.7Very low27.2Very low194 Ų194162.4 Ų162.484%0.84382%0.818SS**  trans29.1106.1131.6-70.2177.3174.6178.50116.4
481R24.3Very low26.5Very low232 Ų232168.7 Ų168.788%0.87583%0.831SS**  trans-154.8135131.6-121.4176.5-85.1-167.8-3.2109.9
482N25.4Very low26.1Very low152 Ų152170.6 Ų170.681%0.81384%0.84SS**  trans93.757.1164.9-46.3-11.9000116.6
483T24.2Very low25.7Very low138 Ų138168 Ų16885%0.84784%0.842SS**  trans-11681.4152.149.70000108.1
484E25.1Very low25.4Very low196 Ų196163.9 Ų163.992%0.91684%0.844SS**  trans-16969.4165.4-109.5169-135.600110.1
485S28.1Very low25.1Very low118 Ų118162.4 Ų162.483%0.82584%0.838SS**  trans-137.279.6151.143.70000106.9L487S485-L487 PolarHBondContact O-N 3.02Å
486S22.5Very low25.1Very low102 Ų102169.1 Ų169.171%0.71385%0.845SS**  trans-43120.7169.650.30000111.6A488S486-A488 PolarHBondContact O-N 3.13Å
487L24.6Very low24.9Very low175 Ų175166 Ų16692%0.91684%0.837SS**  33.469.1121.4-65.2167.8000114.9S485S485-L487 PolarHBondContact O-N 3.02Å
488A24.7Very low24.6Very low81 Ų81161.4 Ų161.467%0.66984%0.835SS**  trans-134.6135.4157.400000107.5S486S486-A488 PolarHBondContact O-N 3.13Å
489N25.8Very low24.7Very low161 Ų161159.9 Ų159.986%0.86183%0.833SS**  trans93.643.2177.7-49.2-17.7000116.8R491N489-R491 VanDerWaalsContact C-N 3.33Å; N489-R491 PolarHBondContact O-N 3.27Å
490K24.3Very low24.7Very low204 Ų204158.2 Ų158.289%0.88783%0.83SS**  trans-82.877143-90.4-175.3175.2176.70109.5
491R22.9Very low24.7Very low228 Ų228155.5 Ų155.586%0.8683%0.83SS**  trans-156.981.6161-79.5-161177.9167.7-1.2110.1N489N489-R491 VanDerWaalsContact C-N 3.33Å; N489-R491 PolarHBondContact O-N 3.27Å
492F26.2Very low24.8Very low217 Ų217151.3 Ų151.395%0.95283%0.83SS**  trans-149.181.7146.5-100.6-77.4000107.3
493N21.8Very low24.7Very low166 Ų166149.5 Ų149.589%0.88883%0.829SS**  trans-83.6125.6154.8-79.9-17.8000106.2
494S23.3Very low24.8Very low119 Ų119146.7 Ų146.783%0.83283%0.827SS**  trans170.8136.6138.6-1730000111
495A23.3Very low24.7Very low85 Ų85144 Ų14470%0.70282%0.819SS**  trans70.394.5156.200000118.8
496Y27.6Very low24.7Very low235 Ų235145.5 Ų145.592%0.92282%0.818SS**  -157.9121.6105.8-134.1-101.1000110.7
497S23.7Very low24.8Very low105 Ų105147.3 Ų147.373%0.73482%0.819SS**  trans-83.1152.9177.949.50000111.9
498G23Very low25Very low71 Ų71144.6 Ų144.673%0.73282%0.815SS**  trans101.195.314200000116.5
499F27.7Very low25Very low207 Ų207147.9 Ų147.991%0.90882%0.821SS**  trans-144.8128.9133.4-158-100.6000109.8
500D26.2Very low25.1Very low137 Ų137149.7 Ų149.773%0.73382%0.822SS**  trans-74.3138.8-158.2-70.6-56.8000114.6
501T23.7Very low25.1Very low137 Ų137149.3 Ų149.384%0.8482%0.82SS**  trans-70.1121.1161.841.30000110.7
502V27.7Very low25.2Very low144 Ų144146.8 Ų146.887%0.87382%0.818SS**  trans-100.9111.1159.5176.50000108.4
503S23Very low25.1Very low114 Ų114141.8 Ų141.880%0.79781%0.808SS**  trans-76.3128.3174.6-178.50000110.3
504G25.4Very low25.2Very low78 Ų78140 Ų14080%0.80480%0.803SS**  trans-137.591.3175.100000109.8
505N22.5Very low25.3Very low139 Ų139140.3 Ų140.374%0.74380%0.8SS**  trans-64.7130.2174.7-173.823.8000110.9
506N29.1Very low25.3Very low151 Ų151143.5 Ų143.581%0.80781%0.805SS**  trans-167.7105.7156.6-89.9-27.2000111.7
507N24.4Very low25.2Very low139 Ų139143.8 Ų143.874%0.74381%0.805SS**  trans29.7115.9138.7-58.9-25.7000119.5
508S28.7Very low25.3Very low119 Ų119142.9 Ų142.983%0.83280%0.799SS**  171.8119.8105.1430000110.6F510S508-F510 PolarHBondContact O-N 3.48Å
509D25.3Very low25.4Very low149 Ų149145.8 Ų145.880%0.79780%0.797SS**  trans-64.7109.1168.8-74.8-59.5000110.3
510F27.2Very low25.3Very low199 Ų199144 Ų14487%0.87380%0.797SS**  trans-133.396.5155.5-116.1-92000108.8S508 E512S508-F510 PolarHBondContact O-N 3.48Å; F510-E512 PolarHBondContact O-N 3.07Å
511K24.2Very low25.3Very low196 Ų196143.1 Ų143.185%0.85280%0.797SS**  trans-80.9105.9172.6-72.7178.2177.1174.70108.5
512E25.9Very low25.5Very low175 Ų175145.5 Ų145.582%0.81880%0.798SS**  trans-112.4140.2157-108.4-172.6165.100110.1F510F510-E512 PolarHBondContact O-N 3.07Å
513P24.1Very low25.5Very low112 Ų112145.9 Ų145.973%0.72780%0.795SS**  trans-78.4132.9-162.430.5-32.4000112.2T515P513-T515 PolarHBondContact O-N 2.91Å; P513-T515 VanDerWaalsContact O-N 3.07Å
514T23.4Very low25.6Very low128 Ų128147.8 Ų147.879%0.78580%0.796SS**  trans-61.798.3173.752.20000111.4
515T25.3Very low25.9Very low127 Ų127153.1 Ų153.178%0.77980%0.8SS**  trans-90.7103.115853.50000108.6P513 R517P513-T515 PolarHBondContact O-N 2.91Å; P513-T515 VanDerWaalsContact O-N 3.07Å; T515-R517 PolarHBondContact O-N 3.09Å
516N24.3Very low26.4Very low152 Ų152157 Ų15781%0.81381%0.805SS**  trans-52.896.6169.9-75.8-34.3000110.5
517R24.2Very low26.2Very low240 Ų240156.5 Ų156.591%0.90680%0.801SS**  trans-99.569162-110.6-176.6178.8175.60.8108.2T515T515-R517 PolarHBondContact O-N 3.09Å
518S25.8Very low26.3Very low87 Ų87154 Ų15461%0.60879%0.792SS**  trans-83.9141.3161.556.10000108.8
519N25.4Very low26Very low131 Ų131153.8 Ų153.870%0.70179%0.791SS**  trans95.362.1165.8-46.3-12.8000116.3
520N24.9Very low26.2Very low169 Ų169155 Ų15590%0.90479%0.789SS**  trans-108.564.7149.1-78.6-17.5000108.5
521T27.8Very low26.4Very low120 Ų120150.3 Ų150.374%0.73678%0.781SS**  trans-108.38.8179.5-1.80000113.2
522E27.2Very low26.8Very low186 Ų186146.3 Ų146.387%0.86977%0.768SS**SBendtrans-97.211.6-169.1-71.5-171.2164.700116.6
523L26.9Very low27.2Very low153 Ų153144.7 Ų144.780%0.80176%0.756SS**SBendtrans-118.97.9-176-71.6174.4000116.6
524N26.6Very low28.2Very low154 Ų154141 Ų14182%0.82473%0.73SS**THydrogen-bonded Turntrans-88.70178.3-86.6-10.8000115.4
525E31Very low29.5Very low189 Ų189141.7 Ų141.788%0.88372%0.718SS**THydrogen-bonded Turntrans-92.1-2.7-175.6-69.9-168.6164.600115.8
526R31.9Very low30.6Very low222 Ų222141.5 Ų141.584%0.83871%0.709SS**SBendtrans-89.9-16.9176.7-77.9-174.7-178.6173.82.2114.2
527L25.8Very low31.5Very low139 Ų139137.2 Ų137.273%0.72869%0.688SS**SBendtrans-78.1124.616346.472.9000110.7S529L527-S529 PolarHBondContact O-N 3.42Å; L527-S529 VanDerWaalsContact O-N 3.1Å
528P25.7Very low32.6Very low87 Ų87126.6 Ų126.657%0.56565%0.65SS**  trans-58.2126.1164.824.4-31.7000108.7F530P528-F530 HydrophobicContact CB-CD2 3.61Å; P528-F530 HydrophobicContact CB-CE2 3.22Å; P528-F530 HydrophobicContact CB-CZ 4Å; P528-F530 HydrophobicContact CG-CD2 3.59Å; P528-F530 HydrophobicContact CG-CE2 3.22Å; P528-F530 HydrophobicContact CG-CZ 4.33Å; P528-F530 WeakPolarHBondContact O-CD2 3.31Å; P528-F530 PolarHBondContact O-N 2.87Å; P528-F530 VanDerWaalsContact O-N 3.16Å
529S23.9Very low34Very low114 Ų114127 Ų12780%0.79765%0.653SS**  trans-56115.117555.10000108L527L527-S529 PolarHBondContact O-N 3.42Å; L527-S529 VanDerWaalsContact O-N 3.1Å
530F29.7Very low35.2Very low175 Ų175127 Ų12777%0.76865%0.649SS**  trans-127.6102.4-177.2-85.7-61.7000112.4P528P528-F530 HydrophobicContact CB-CD2 3.61Å; P528-F530 HydrophobicContact CB-CE2 3.22Å; P528-F530 HydrophobicContact CB-CZ 4Å; P528-F530 HydrophobicContact CG-CD2 3.59Å; P528-F530 HydrophobicContact CG-CE2 3.22Å; P528-F530 HydrophobicContact CG-CZ 4.33Å; P528-F530 WeakPolarHBondContact O-CD2 3.31Å; P528-F530 PolarHBondContact O-N 2.87Å; P528-F530 VanDerWaalsContact O-N 3.16Å
531S30.9Very low36.4Very low101 Ų101120.7 Ų120.771%0.70662%0.615SS**  trans-63.4145.4157.671.60000109.3Y533S531-Y533 PolarHBondContact O-N 3.02Å
532L31.5Very low37.6Very low111 Ų111118.4 Ų118.458%0.58160%0.598SS**  trans-7689-173.2-164.5118.7000109.3T266 D534T266-L532 HydrophobicContact CG2-CD2 3.63Å; L532-D534 HydrophobicContact CD2-CB 4.06Å; L532-D534 PolarHBondContact O-N 2.84Å
533Y35.8Very low39.4Very low142 Ų142112.2 Ų112.256%0.55758%0.575SS**  trans-75.492.1169-153.2-100.4000109.1S531 W535 E540S531-Y533 PolarHBondContact O-N 3.02Å; Y533-W535 HydrophobicContact CD1-CB 4.39Å; Y533-W535 PolarHBondContact O-N 3.1Å; Y533-W535 VanDerWaalsContact O-N 3.15Å; Y533-E540 VanDerWaalsContact OH-CD 3.32Å; Y533-E540 PolarHBondContact OH-OE2 3.32Å
534D43.5Very low41.3Very low35 Ų35109.1 Ų109.119%0.18756%0.559CS.*  trans-82.982.1178-157.224.5000109.1L532 E536 T537 S538L532-D534 HydrophobicContact CD2-CB 4.06Å; L532-D534 PolarHBondContact O-N 2.84Å; D534-E536 PolarHBondContact O-N 3.06Å; D534-E536 VanDerWaalsContact O-N 3.14Å; D534-T537 WeakPolarHBondContact CB-OG1 3.32Å; D534-T537 CarbonylContact O-C 3.54Å; D534-T537 PolarHBondContact O-N 3.35Å; D534-T537 PolarHBondContact OD2-OG1 3.16Å; D534-S538 PolarHBondContact O-N 3.12Å
535W50.3Low42.9Very low142 Ų142106 Ų10654%0.53854%0.541SS..THydrogen-bonded Turntrans-57.5-32.4-170.874.6-85.2000113.4Y533 T537 S538 N541Y533-W535 HydrophobicContact CD1-CB 4.39Å; Y533-W535 PolarHBondContact O-N 3.1Å; Y533-W535 VanDerWaalsContact O-N 3.15Å; W535-T537 VanDerWaalsContact C-N 3.28Å; W535-T537 PolarHBondContact O-N 3.42Å; W535-S538 PolarHBondContact O-N 3.41Å; W535-S538 PolarHBondContact O-OG 2.96Å; W535-N541 WeakPolarHBondContact CZ3-ND2 3.34Å; W535-N541 WeakPolarHBondContact O-CB 3.22Å; W535-N541 PolarHBondContact O-ND2 3.07Å
536E48.4Very low44.8Very low122 Ų122101.5 Ų101.557%0.5752%0.52SS*.THydrogen-bonded Turntrans-62.5-33.4176.2-70.2179.8177.600112.5D534D534-E536 PolarHBondContact O-N 3.06Å; D534-E536 VanDerWaalsContact O-N 3.14Å
537T45Very low46.2Very low62 Ų6293.8 Ų93.838%0.3850%0.501SS..THydrogen-bonded Turntrans-113.98.8-179.566.70000113.8D534 W535 I542D534-T537 WeakPolarHBondContact CB-OG1 3.32Å; D534-T537 CarbonylContact O-C 3.54Å; D534-T537 PolarHBondContact O-N 3.35Å; D534-T537 PolarHBondContact OD2-OG1 3.16Å; W535-T537 VanDerWaalsContact C-N 3.28Å; W535-T537 PolarHBondContact O-N 3.42Å; T537-I542 WeakPolarHBondContact O-CD1 3.41Å
538S46.3Very low48.7Very low17 Ų1793.8 Ų93.812%0.11950%0.495CS..  trans-61.6142.3176.265.40000110D534 W535 E540 N541 I542D534-S538 PolarHBondContact O-N 3.12Å; W535-S538 PolarHBondContact O-N 3.41Å; W535-S538 PolarHBondContact O-OG 2.96Å; S538-E540 PolarHBondContact O-N 3.32Å; S538-E540 VanDerWaalsContact O-N 3.14Å; S538-N541 PolarHBondContact O-N 2.86Å; S538-N541 VanDerWaalsContact OG-CB 3.28Å; S538-N541 WeakPolarHBondContact OG-CB 3.29Å; S538-N541 PolarHBondContact OG-N 2.81Å; S538-I542 WeakPolarHBondContact O-CG1 3.5Å; S538-I542 PolarHBondContact O-N 3.14Å
539S54.7Low50.6Low96 Ų9693.7 Ų93.767%0.67149%0.489SS*.Hα-helixtrans-56.5-32.1-179.356.20000112.6S543S539-S543 VanDerWaalsContact O-CB 3.23Å; S539-S543 WeakPolarHBondContact O-CB 3.42Å; S539-S543 PolarHBondContact O-N 3.13Å
540E50.7Low52.6Low131 Ų13195.7 Ų95.761%0.61248%0.479SS*.Hα-helixtrans-65.5-45.8176.1-69.1169.9173.700111.8Y533 S538 S543 L544Y533-E540 VanDerWaalsContact OH-CD 3.32Å; Y533-E540 PolarHBondContact OH-OE2 3.32Å; S538-E540 PolarHBondContact O-N 3.32Å; S538-E540 VanDerWaalsContact O-N 3.14Å; E540-S543 PolarHBondContact O-N 2.88Å; E540-L544 WeakPolarHBondContact O-CB 3.17Å; E540-L544 PolarHBondContact O-N 3.4Å
541N50.9Low54.3Low36 Ų3692.7 Ų92.719%0.19347%0.467CS..Hα-helixtrans-76.6-34.4-177-143.324000111.4W535 S538 L544 I545W535-N541 WeakPolarHBondContact CZ3-ND2 3.34Å; W535-N541 WeakPolarHBondContact O-CB 3.22Å; W535-N541 PolarHBondContact O-ND2 3.07Å; S538-N541 PolarHBondContact O-N 2.86Å; S538-N541 VanDerWaalsContact OG-CB 3.28Å; S538-N541 WeakPolarHBondContact OG-CB 3.29Å; S538-N541 PolarHBondContact OG-N 2.81Å; N541-L544 WeakPolarHBondContact O-CB 3.44Å; N541-L544 PolarHBondContact O-N 3.43Å; N541-I545 WeakPolarHBondContact O-CB 3.3Å; N541-I545 VanDerWaalsContact O-CG1 3.28Å; N541-I545 WeakPolarHBondContact O-CG1 3.42Å; N541-I545 PolarHBondContact O-N 2.92Å
542I52.6Low56Low72 Ų7294.9 Ų94.937%0.36946%0.46SS..Hα-helixtrans-61-46.8168-65.3172.4000109.7T537 S538 L544 I545 E546T537-I542 WeakPolarHBondContact O-CD1 3.41Å; S538-I542 WeakPolarHBondContact O-CG1 3.5Å; S538-I542 PolarHBondContact O-N 3.14Å; I542-L544 VanDerWaalsContact C-N 3.28Å; I542-L544 PolarHBondContact O-N 2.67Å; I542-I545 PolarHBondContact O-N 2.9Å; I542-E546 HydrophobicContact CG2-CG 4.3Å; I542-E546 WeakPolarHBondContact O-CB 3.41Å; I542-E546 WeakPolarHBondContact O-CG 3.43Å; I542-E546 PolarHBondContact O-N 2.82Å
543S65.7Low57.3Low57 Ų5794.6 Ų94.640%0.39946%0.456SS..Hα-helixtrans-62.2-35.6176.3-173.70000112.3S539 E540 S547S539-S543 VanDerWaalsContact O-CB 3.23Å; S539-S543 WeakPolarHBondContact O-CB 3.42Å; S539-S543 PolarHBondContact O-N 3.13Å; E540-S543 PolarHBondContact O-N 2.88Å; S543-S547 WeakPolarHBondContact O-CB 3.46Å; S543-S547 PolarHBondContact O-N 3.39Å
544L65.7Low58.5Low87 Ų8794.5 Ų94.546%0.45546%0.455SS..Hα-helixtrans-66.4-44.9175-175.570.7000111.2E540 N541 I542 S547 K548E540-L544 WeakPolarHBondContact O-CB 3.17Å; E540-L544 PolarHBondContact O-N 3.4Å; N541-L544 WeakPolarHBondContact O-CB 3.44Å; N541-L544 PolarHBondContact O-N 3.43Å; I542-L544 VanDerWaalsContact C-N 3.28Å; I542-L544 PolarHBondContact O-N 2.67Å; L544-S547 PolarHBondContact O-N 3.02Å; L544-K548 WeakPolarHBondContact O-CB 3.3Å; L544-K548 WeakPolarHBondContact O-CG 3.5Å; L544-K548 PolarHBondContact O-N 3.32Å
545I60.2Low59Low88 Ų8897.2 Ų97.245%0.45147%0.467SS..Hα-helixtrans-64.2-43176-70.9166.7000110.6N541 I542 K548 L549N541-I545 WeakPolarHBondContact O-CB 3.3Å; N541-I545 VanDerWaalsContact O-CG1 3.28Å; N541-I545 WeakPolarHBondContact O-CG1 3.42Å; N541-I545 PolarHBondContact O-N 2.92Å; I542-I545 PolarHBondContact O-N 2.9Å; I545-K548 PolarHBondContact O-N 3.46Å; I545-L549 HydrophobicContact CG2-CD1 3.92Å; I545-L549 WeakPolarHBondContact O-CB 3.44Å; I545-L549 PolarHBondContact O-N 3.09Å
546E71Confident58.9Low95 Ų9592.6 Ų92.644%0.44445%0.454SS..Hα-helixtrans-63.3-41.1174.9-76.9-177.317800112.1I542 L549 R550I542-E546 HydrophobicContact CG2-CG 4.3Å; I542-E546 WeakPolarHBondContact O-CB 3.41Å; I542-E546 WeakPolarHBondContact O-CG 3.43Å; I542-E546 PolarHBondContact O-N 2.82Å; E546-L549 PolarHBondContact O-N 3.27Å; E546-R550 WeakPolarHBondContact O-CB 3.49Å; E546-R550 WeakPolarHBondContact O-CG 3.45Å; E546-R550 PolarHBondContact O-N 2.99Å; E546-R550 IonicContact OE2-NH2 3.73Å
547S62.7Low59.2Low61 Ų6191.4 Ų91.443%0.42745%0.452SS..Hα-helixtrans-64.6-40.5173.1-90.70000111.9S543 L544 R550 H551S543-S547 WeakPolarHBondContact O-CB 3.46Å; S543-S547 PolarHBondContact O-N 3.39Å; L544-S547 PolarHBondContact O-N 3.02Å; S547-R550 PolarHBondContact O-N 2.92Å; S547-H551 WeakPolarHBondContact O-CB 3.28Å; S547-H551 PolarHBondContact O-N 3.36Å
548K77.3Confident59.5Low139 Ų13992.4 Ų92.460%0.60445%0.453SS*.Hα-helixtrans-63.7-42.4173.8-76.9-179.8177.1-176.60111.9L544 I545 H551 W552L544-K548 WeakPolarHBondContact O-CB 3.3Å; L544-K548 WeakPolarHBondContact O-CG 3.5Å; L544-K548 PolarHBondContact O-N 3.32Å; I545-K548 PolarHBondContact O-N 3.46Å; K548-H551 PolarHBondContact O-N 2.7Å; K548-W552 VanDerWaalsContact O-CB 3.31Å; K548-W552 WeakPolarHBondContact O-CB 3.4Å; K548-W552 PolarHBondContact O-N 3.4Å
549L66.2Low59.4Low85 Ų8599 Ų9945%0.44549%0.486SS..Hα-helixtrans-63.5-42.6174.7-93155.2000111.7I545 E546 W552 H553I545-L549 HydrophobicContact CG2-CD1 3.92Å; I545-L549 WeakPolarHBondContact O-CB 3.44Å; I545-L549 PolarHBondContact O-N 3.09Å; E546-L549 PolarHBondContact O-N 3.27Å; L549-W552 PolarHBondContact O-N 2.95Å; L549-H553 WeakPolarHBondContact O-CB 3.03Å; L549-H553 PolarHBondContact O-CD2 3.23Å; L549-H553 VanDerWaalsContact O-CD2 3.25Å; L549-H553 PolarHBondContact O-N 2.91Å
550R64.8Low58.9Low155 Ų15597.8 Ų97.859%0.58548%0.477SS*.Hα-helixtrans-62.5-43.4173.8-83.4-169.3-87-118.1-6.8111.9E546 S547 W552 H553 Y554E546-R550 WeakPolarHBondContact O-CB 3.49Å; E546-R550 WeakPolarHBondContact O-CG 3.45Å; E546-R550 PolarHBondContact O-N 2.99Å; E546-R550 IonicContact OE2-NH2 3.73Å; S547-R550 PolarHBondContact O-N 2.92Å; R550-W552 VanDerWaalsContact C-N 3.34Å; R550-H553 PolarHBondContact O-N 2.79Å; R550-Y554 WeakPolarHBondContact O-CB 3.47Å; R550-Y554 PolarHBondContact O-N 3.15Å
551H66.9Low58.5Low112 Ų11297.8 Ų97.852%0.51948%0.481SS..Hα-helixtrans-63.3-42.2176-167.475.7000111.3S547 K548 Y554 E555S547-H551 WeakPolarHBondContact O-CB 3.28Å; S547-H551 PolarHBondContact O-N 3.36Å; K548-H551 PolarHBondContact O-N 2.7Å; H551-Y554 CarbonylContact O-C 3.5Å; H551-Y554 WeakPolarHBondContact O-CB 3.49Å; H551-Y554 PolarHBondContact O-N 3.14Å; H551-E555 IonicContact CD2-OE1 2.67Å; H551-E555 IonicContact NE2-OE1 2.76Å; H551-E555 WeakPolarHBondContact O-CG 3.43Å; H551-E555 PolarHBondContact O-N 2.81Å
552W65.6Low57.9Low148 Ų14898.9 Ų98.956%0.56150%0.501SS*.Hα-helixtrans-66.5-40.7177.3-160.560.3000112.2K548 L549 R550 Y554 E555 V556K548-W552 VanDerWaalsContact O-CB 3.31Å; K548-W552 WeakPolarHBondContact O-CB 3.4Å; K548-W552 PolarHBondContact O-N 3.4Å; L549-W552 PolarHBondContact O-N 2.95Å; R550-W552 VanDerWaalsContact C-N 3.34Å; W552-Y554 VanDerWaalsContact C-N 3.33Å; W552-E555 PolarHBondContact O-N 3.01Å; W552-V556 WeakPolarHBondContact O-CB 3.22Å; W552-V556 VanDerWaalsContact O-CG2 3.22Å; W552-V556 WeakPolarHBondContact O-CG2 3.17Å; W552-V556 PolarHBondContact O-N 3.05Å
553H59.3Low57.1Low105 Ų105104.1 Ų104.149%0.48652%0.524SS..Hα-helixtrans-61.3-42.3170.6-87.7-66.4000111.6L549 R550 V556 D557L549-H553 WeakPolarHBondContact O-CB 3.03Å; L549-H553 PolarHBondContact O-CD2 3.23Å; L549-H553 VanDerWaalsContact O-CD2 3.25Å; L549-H553 PolarHBondContact O-N 2.91Å; R550-H553 PolarHBondContact O-N 2.79Å; H553-V556 PolarHBondContact O-N 2.78Å; H553-D557 WeakPolarHBondContact O-CB 3.28Å; H553-D557 PolarHBondContact O-N 3.12Å
554Y59.7Low55.6Low140 Ų140107.3 Ų107.355%0.54954%0.541SS..Hα-helixtrans-64.3-41.9175.9-173.8-91.7000112.3R550 H551 W552 V556 D557 M558R550-Y554 WeakPolarHBondContact O-CB 3.47Å; R550-Y554 PolarHBondContact O-N 3.15Å; H551-Y554 CarbonylContact O-C 3.5Å; H551-Y554 WeakPolarHBondContact O-CB 3.49Å; H551-Y554 PolarHBondContact O-N 3.14Å; W552-Y554 VanDerWaalsContact C-N 3.33Å; Y554-V556 VanDerWaalsContact C-N 3.34Å; Y554-D557 PolarHBondContact O-N 3.47Å; Y554-M558 HydrophobicContact CD1-CG 3.75Å; Y554-M558 HydrophobicContact CE1-CG 3.38Å; Y554-M558 HydrophobicContact CE1-SD 3.79Å; Y554-M558 HydrophobicContact CG-CG 4.43Å; Y554-M558 WeakPolarHBondContact O-CB 3.23Å; Y554-M558 WeakPolarHBondContact O-CG 3.48Å; Y554-M558 PolarHBondContact O-N 3.08Å
555E55.3Low53.9Low91 Ų91108.9 Ų108.943%0.42556%0.559SS.*Hα-helixtrans-62.6-40.9173.8-76.7-175.8150.700111.8H551 W552 L559H551-E555 IonicContact CD2-OE1 2.67Å; H551-E555 IonicContact NE2-OE1 2.76Å; H551-E555 WeakPolarHBondContact O-CG 3.43Å; H551-E555 PolarHBondContact O-N 2.81Å; W552-E555 PolarHBondContact O-N 3.01Å; E555-L559 WeakPolarHBondContact O-CB 3.39Å; E555-L559 VanDerWaalsContact O-CG 3.3Å; E555-L559 WeakPolarHBondContact O-CG 3.36Å; E555-L559 PolarHBondContact O-N 3.22Å
556V48.4Very low52.4Low46 Ų46112.4 Ų112.428%0.27959%0.585SS.*Hα-helixtrans-66.7-41176171.10000111.1W552 H553 Y554 L559 C560W552-V556 WeakPolarHBondContact O-CB 3.22Å; W552-V556 VanDerWaalsContact O-CG2 3.22Å; W552-V556 WeakPolarHBondContact O-CG2 3.17Å; W552-V556 PolarHBondContact O-N 3.05Å; H553-V556 PolarHBondContact O-N 2.78Å; Y554-V556 VanDerWaalsContact C-N 3.34Å; V556-L559 PolarHBondContact O-N 2.98Å; V556-C560 WeakPolarHBondContact O-CB 3.33Å; V556-C560 PolarHBondContact O-N 3.36Å; V556-C560 PolarHBondContact O-SG 3.35Å
557D54.6Low50.3Low96 Ų96110.6 Ų110.651%0.51359%0.591SS.*Hα-helixtrans-67.1-42.4177.2-70.3-18.3000110.9H553 Y554 L559 C560 D561H553-D557 WeakPolarHBondContact O-CB 3.28Å; H553-D557 PolarHBondContact O-N 3.12Å; Y554-D557 PolarHBondContact O-N 3.47Å; D557-L559 VanDerWaalsContact C-N 3.32Å; D557-L559 PolarHBondContact O-N 3.27Å; D557-C560 CarbonylContact O-C 3.59Å; D557-C560 WeakPolarHBondContact O-CA 3.47Å; D557-C560 PolarHBondContact O-N 2.82Å; D557-D561 PolarHBondContact O-N 3.36Å
558M50.7Low48.7Very low84 Ų84115.4 Ų115.441%0.41461%0.612SS.*Hα-helixtrans-62.4-35.4174-72.4-81.992.800113Y554 C560 D561Y554-M558 HydrophobicContact CD1-CG 3.75Å; Y554-M558 HydrophobicContact CE1-CG 3.38Å; Y554-M558 HydrophobicContact CE1-SD 3.79Å; Y554-M558 HydrophobicContact CG-CG 4.43Å; Y554-M558 WeakPolarHBondContact O-CB 3.23Å; Y554-M558 WeakPolarHBondContact O-CG 3.48Å; Y554-M558 PolarHBondContact O-N 3.08Å; M558-C560 PolarHBondContact O-N 3.3Å; M558-D561 WeakPolarHBondContact CE-OD2 3.4Å
559L44.9Very low46.5Very low155 Ų155118.6 Ų118.681%0.81262%0.621SS**THydrogen-bonded Turntrans-71.6-13.1172.6-74.2168.2000112.7E555 V556 D557E555-L559 WeakPolarHBondContact O-CB 3.39Å; E555-L559 VanDerWaalsContact O-CG 3.3Å; E555-L559 WeakPolarHBondContact O-CG 3.36Å; E555-L559 PolarHBondContact O-N 3.22Å; V556-L559 PolarHBondContact O-N 2.98Å; D557-L559 VanDerWaalsContact C-N 3.32Å; D557-L559 PolarHBondContact O-N 3.27Å
560C43.9Very low44.8Very low70 Ų70122 Ų12247%0.47364%0.637SS.*THydrogen-bonded Turntrans-113.916.8-176.5-62.60000113.8V556 D557 M558 G562V556-C560 WeakPolarHBondContact O-CB 3.33Å; V556-C560 PolarHBondContact O-N 3.36Å; V556-C560 PolarHBondContact O-SG 3.35Å; D557-C560 CarbonylContact O-C 3.59Å; D557-C560 WeakPolarHBondContact O-CA 3.47Å; D557-C560 PolarHBondContact O-N 2.82Å; M558-C560 PolarHBondContact O-N 3.3Å; C560-G562 PolarHBondContact O-N 3.22Å
561D41.9Very low43.1Very low132 Ų132118.7 Ų118.771%0.70664%0.638SS**  trans-67.937.1176.2-93.5-9.3000114.4D557 M558D557-D561 PolarHBondContact O-N 3.36Å; M558-D561 WeakPolarHBondContact CE-OD2 3.4Å
562G39.1Very low41.4Very low58 Ų58117.3 Ų117.360%0.59864%0.639SS**SBendtrans-150.396.3172.800000109.9C560C560-G562 PolarHBondContact O-N 3.22Å
563E35.9Very low39.7Very low183 Ų183118 Ų11886%0.85565%0.653SS**SBendtrans56.798.4159.5-53.8-173.9170.700116.9
564T33.7Very low38.4Very low124 Ų124122.9 Ų122.976%0.76167%0.673SS**  166.7149.2124.236.40000114.5
565S30.7Very low37.1Very low120 Ų120120.8 Ų120.884%0.83968%0.679SS**  trans-53.3151-172.8-930000118.7G567S565-G567 VanDerWaalsContact C-N 3.29Å; S565-G567 PolarHBondContact O-N 2.88Å
566V28Very low35.8Very low162 Ų162121.2 Ų121.298%0.98269%0.691SS**SBendtrans-70.943.9-167.9-171.90000115.1
567G27.6Very low35.1Very low57 Ų57127.4 Ų127.459%0.58872%0.716SS**  trans-125112.8-176.900000114.7S565S565-G567 VanDerWaalsContact C-N 3.29Å; S565-G567 PolarHBondContact O-N 2.88Å
568N27.6Very low34.1Very low162 Ų162131.8 Ų131.887%0.86673%0.734SS**  trans69.846.4158.2-70.3-5.2000120.1I570N568-I570 PolarHBondContact O-N 3.19Å
569R31.4Very low33.1Very low206 Ų206132.5 Ų132.578%0.77774%0.738SS**  trans-88.489.2165.3-64.8-161.3-175.5-172.16.2111.9S571R569-S571 PolarHBondContact O-N 2.9Å
570I31.2Very low32.5Very low156 Ų156131.8 Ų131.880%0.874%0.735SS**  trans-48.7123.1153.9-64.9165.1000107.6N568N568-I570 PolarHBondContact O-N 3.19Å
571S29.5Very low32Very low85 Ų85133.4 Ų133.459%0.59475%0.745SS**  trans1.5113170.4-42.40000115.6R569 L573R569-S571 PolarHBondContact O-N 2.9Å; S571-L573 PolarHBondContact O-N 3.21Å
572P31.1Very low31.5Very low84 Ų84132.9 Ų132.955%0.54574%0.741SS.*  trans-74.669.6176.831.5-32.6000110.5
573L30Very low31.1Very low162 Ų162139.3 Ų139.385%0.84875%0.752SS**  trans-96.66.8167.3-81.3169.3000112S571S571-L573 PolarHBondContact O-N 3.21Å
574K32.4Very low31.1Very low208 Ų208138.6 Ų138.690%0.90475%0.749SS**SBendtrans-107.9-0.3-178.7-84.6-168.4174.7-174.70116
575S32Very low30.9Very low96 Ų96139.9 Ų139.967%0.67175%0.75SS**SBendtrans-115.92.2-17956.40000116.2E577S575-E577 PolarHBondContact O-N 2.86Å
576C27.2Very low31.1Very low100 Ų100141.1 Ų141.168%0.67675%0.747SS**  trans-89.874.2172.8-78.10000111.7Q578C576-Q578 VanDerWaalsContact C-N 3.27Å
577E33.1Very low31.3Very low175 Ų175139.8 Ų139.882%0.81874%0.742SS**  trans-833.4167.2-75.1-167.5156.900113.5S575S575-E577 PolarHBondContact O-N 2.86Å
578Q35.1Very low31.5Very low189 Ų189140.9 Ų140.988%0.88375%0.753SS**  trans-111.411.1-172-71-175.1-1300116.6C576C576-Q578 VanDerWaalsContact C-N 3.27Å
579I29Very low31.5Very low98 Ų98141.9 Ų141.950%0.50375%0.75SS.*  trans-109.176.4173.2-51.7176.7000109.7P581 I582I579-P581 VanDerWaalsContact C-CD 3.5Å; I579-I582 HydrophobicContact CG2-CB 4.4Å; I579-I582 HydrophobicContact CG2-CD1 3.8Å; I579-I582 HydrophobicContact CG2-CG1 3.97Å
580N31.9Very low31.3Very low140 Ų140140.9 Ų140.975%0.74975%0.753SS**  trans-93.79.2-178.9-100.8-18000118.3
581P33.8Very low31.1Very low105 Ų105140.5 Ų140.568%0.68275%0.752SS**SBendtrans-101.9-12.3168.934.3-27.9000115I579I579-P581 VanDerWaalsContact C-CD 3.5Å
582I32Very low30.9Very low120 Ų120142.9 Ų142.962%0.61576%0.756SS**G310 helixtrans-86-17.5-171.6-56.5-178.5000113.2I579 Q584I579-I582 HydrophobicContact CG2-CB 4.4Å; I579-I582 HydrophobicContact CG2-CD1 3.8Å; I579-I582 HydrophobicContact CG2-CG1 3.97Å; I582-Q584 PolarHBondContact O-N 3.41Å
583K30Very low30.6Very low194 Ų194145.7 Ų145.784%0.84377%0.765SS**G310 helixtrans-775.2-177.9-79.9-172.8177.7176.10115.9
584Q35.2Very low30.1Very low168 Ų168148.3 Ų148.379%0.78576%0.764SS**G310 helixtrans-114.221.1-179.3-70.2-169.5-2.700115.2I582 L586I582-Q584 PolarHBondContact O-N 3.41Å; Q584-L586 PolarHBondContact O-N 3.26Å
585L29.8Very low29.7Very low151 Ų151143.9 Ų143.979%0.79175%0.754SS**  trans-88.280.6170.7-66.6173.8000110.3
586L34.7Very low29.4Very low146 Ų146145.9 Ų145.976%0.76476%0.756SS**  trans-65.5139.2161.9-75.4155.2000109.1Q584 G588Q584-L586 PolarHBondContact O-N 3.26Å; L586-G588 PolarHBondContact O-N 2.99Å
587P32.8Very low29.4Very low134 Ų134147.5 Ų147.587%0.8776%0.758SS**THydrogen-bonded Turntrans-55.5134.4172-18.629.4000110.5
588G32.3Very low29.1Very low80 Ų80147.5 Ų147.583%0.82576%0.758SS**THydrogen-bonded Turntrans113.1-2.1168.200000117.9L586 Q590L586-G588 PolarHBondContact O-N 2.99Å; G588-Q590 PolarHBondContact O-N 3.47Å
589K27.7Very low28.9Very low183 Ų183145.2 Ų145.280%0.79675%0.752SS**  trans-78.1122.3170-80.7-170.7175.5179.70111.3I591K589-I591 PolarHBondContact O-N 2.95Å
590Q27.6Very low28.8Very low184 Ų184147.4 Ų147.486%0.8676%0.764SS**  trans-63123.8170.9-74.2175.9-13.100109.9G588G588-Q590 PolarHBondContact O-N 3.47Å
591I25.7Very low28.6Very low148 Ų148147.6 Ų147.676%0.75977%0.771SS**  trans-88.4111.2173.7-56.4174.9000107.1K589 I593K589-I591 PolarHBondContact O-N 2.95Å; I591-I593 HydrophobicContact CG2-CG1 3.86Å; I591-I593 PolarHBondContact O-N 3.49Å
592I26.4Very low28.4Very low135 Ų135149.7 Ų149.769%0.69278%0.775SS**  trans-89102.1170.6-56.5173000106.9R594I592-R594 HydrophobicContact CG2-CG 4.18Å; I592-R594 PolarHBondContact O-N 3.49Å
593I23.5Very low28.1Very low144 Ų144151.2 Ų151.274%0.73878%0.784SS**  trans-83.4107.1171.1-55.2176.6000106.5I591I591-I593 HydrophobicContact CG2-CG1 3.86Å; I591-I593 PolarHBondContact O-N 3.49Å
594R20.5Very low28Very low217 Ų217146.9 Ų146.982%0.81978%0.784SS**  trans-86.5114.5167.3-66.8-173.5-174.3-176.11.3107.7I592 I596I592-R594 HydrophobicContact CG2-CG 4.18Å; I592-R594 PolarHBondContact O-N 3.49Å; R594-I596 PolarHBondContact O-N 3.18Å
595T23Very low27.5Very low115 Ų115144.4 Ų144.471%0.70679%0.786SS**  trans-71122.1165.742.90000107.8
596I25.5Very low27.3Very low137 Ų137140.6 Ų140.670%0.70378%0.782SS**  trans-88.4105.2168.4-59.9170.1000104.5R594 H598R594-I596 PolarHBondContact O-N 3.18Å; I596-H598 PolarHBondContact O-N 2.92Å; I596-H598 VanDerWaalsContact O-N 3.16Å
597D27.4Very low26.9Very low135 Ų135142.8 Ų142.872%0.72279%0.788SS**  trans-65.9113172.8-71.3-29.7000108D599D597-D599 PolarHBondContact O-N 3.21Å; D597-D599 VanDerWaalsContact O-N 3.08Å
598H27.8Very low26.4Very low174 Ų174144.1 Ų144.181%0.80679%0.787SS**  trans-80.641.8174.1-83.5-38.6000111.5I596I596-H598 PolarHBondContact O-N 2.92Å; I596-H598 VanDerWaalsContact O-N 3.16Å
599D29.7Very low26Very low142 Ų142148.6 Ų148.676%0.75979%0.787SS**  trans-132.470.2173-76.6-31.7000108.1D597D597-D599 PolarHBondContact O-N 3.21Å; D597-D599 VanDerWaalsContact O-N 3.08Å
600N27.8Very low25.9Very low143 Ų143145.3 Ų145.377%0.76578%0.782SS**  trans-167.6112.8150.4-88.9-31000107.5I602N600-I602 VanDerWaalsContact C-N 3.29Å; N600-I602 PolarHBondContact O-N 3.3Å
601T28.1Very low25.7Very low145 Ų145143.2 Ų143.289%0.8978%0.777SS**  trans-56.397.5158.742.10000107.4D603T601-D603 PolarHBondContact O-N 3.38Å
602I28.6Very low25.6Very low149 Ų149144.6 Ų144.676%0.76478%0.78SS**  trans-74.1114.5177.9-69.2169.3000107.5N600 A604N600-I602 VanDerWaalsContact C-N 3.29Å; N600-I602 PolarHBondContact O-N 3.3Å; I602-A604 PolarHBondContact O-N 3.12Å
603D27.1Very low25.5Very low152 Ų152147.8 Ų147.881%0.81379%0.789SS**  trans-51.9117.9155.9-83.3-35.5000109.2T601 S605T601-D603 PolarHBondContact O-N 3.38Å; D603-S605 PolarHBondContact O-N 3.4Å
604A27Very low25.5Very low102 Ų102149.6 Ų149.684%0.84380%0.795SS**SBendtrans-72.890.1-178.100000110.9I602I602-A604 PolarHBondContact O-N 3.12Å
605S25.1Very low25.7Very low117 Ų117143.3 Ų143.382%0.81879%0.789SS**  trans-167.5102.3153.856.80000111.4D603D603-S605 PolarHBondContact O-N 3.4Å
606G25Very low25.7Very low70 Ų70145.5 Ų145.572%0.72280%0.797SS**  trans-170.990.217400000110.3L608G606-L608 PolarHBondContact O-N 3.17Å
607H25.6Very low25.8Very low192 Ų192145.7 Ų145.789%0.88980%0.799SS**  trans-48.2116.2178.1-88.7-86.6000112.2E609H607-E609 PolarHBondContact O-N 2.62Å
608L23.5Very low25.7Very low162 Ų162145.5 Ų145.585%0.84880%0.803SS**  trans-84.2104.6168.1-136.892.2000108.1G606 T610G606-L608 PolarHBondContact O-N 3.17Å; L608-T610 PolarHBondContact O-N 3.02Å
609E24.4Very low25.8Very low174 Ų174145 Ų14581%0.81380%0.804SS**  trans-70.8107.9171-73.4-177.9160.100109.7H607 N611H607-E609 PolarHBondContact O-N 2.62Å; E609-N611 PolarHBondContact O-N 2.94Å; E609-N611 VanDerWaalsContact O-N 3.14Å
610T24.9Very low25.7Very low114 Ų114147.4 Ų147.470%0.69981%0.811SS**  trans-66.698.9170.1340000110.5L608 Q612L608-T610 PolarHBondContact O-N 3.02Å; T610-Q612 PolarHBondContact O-N 3.43Å
611N23.9Very low25.7Very low141 Ų141148 Ų14875%0.75481%0.814SS**  trans-73.194.9162.1-81.2-32.3000109.2E609 F613E609-N611 PolarHBondContact O-N 2.94Å; E609-N611 VanDerWaalsContact O-N 3.14Å; N611-F613 PolarHBondContact O-N 2.92Å; N611-F613 VanDerWaalsContact O-N 3.17Å
612Q23.7Very low25.6Very low177 Ų177144 Ų14483%0.82780%0.802SS**  trans-67.4100.6168.9-68.1179.7-1.900109T610 Q614T610-Q612 PolarHBondContact O-N 3.43Å; Q612-Q614 PolarHBondContact O-N 3.14Å
613F22.8Very low25.3Very low201 Ų201143.3 Ų143.388%0.88281%0.808SS**  trans-83.7109.5161.5-92.4-84.7000108.7N611 A615N611-F613 PolarHBondContact O-N 2.92Å; N611-F613 VanDerWaalsContact O-N 3.17Å; F613-A615 PolarHBondContact O-N 3.04Å
614Q23.4Very low25.2Very low183 Ų183145.3 Ų145.386%0.85581%0.81SS**  trans-61118.1172.1-122162-19.500109.1Q612 D616Q612-Q614 PolarHBondContact O-N 3.14Å; Q614-D616 PolarHBondContact O-N 3.47Å
615A25.2Very low24.9Very low84 Ų84145.9 Ų145.969%0.69481%0.808SS**  trans-78.3103172.700000108.9F613 N617F613-A615 PolarHBondContact O-N 3.04Å; A615-N617 PolarHBondContact O-N 3.38Å; A615-N617 VanDerWaalsContact O-N 3.08Å
616D24.5Very low24.7Very low162 Ų162146.2 Ų146.287%0.86680%0.804SS**  trans-70.6101166.5-84.6-24.4000109.2Q614 T618Q614-D616 PolarHBondContact O-N 3.47Å; D616-T618 PolarHBondContact O-N 2.84Å
617N25.7Very low24.5Very low141 Ų141153 Ų15375%0.75481%0.808SS**  trans-69.1114.1164.1-74.5-36.6000108.8A615A615-N617 PolarHBondContact O-N 3.38Å; A615-N617 VanDerWaalsContact O-N 3.08Å
618T27.2Very low24.3Very low130 Ų130153.3 Ų153.380%0.79881%0.808SS**  trans162.4110.5136.434.40000109.3D616D616-T618 PolarHBondContact O-N 2.84Å
619I28.8Very low24.3Very low164 Ų164153.5 Ų153.584%0.84180%0.804SS**  trans-168111.1135.6-87.1141.9000105.5D621I619-D621 PolarHBondContact O-N 2.7Å
620H28Very low24.3Very low193 Ų193151.6 Ų151.689%0.89481%0.81SS**  trans-66.3102.3173.4-95.3-84.5000109.6
621D27.3Very low24.4Very low156 Ų156149.1 Ų149.183%0.83481%0.807SS**  trans-98.987.2166.5-140.90.1000109.3I619 C623I619-D621 PolarHBondContact O-N 2.7Å; D621-C623 PolarHBondContact O-N 2.88Å
622G26.3Very low24.4Very low61 Ų61154.6 Ų154.663%0.62982%0.817SS**  trans-74.588.8-179.600000111.1K624G622-K624 PolarHBondContact O-N 3.29Å
623C22.7Very low24.5Very low134 Ų134157.7 Ų157.791%0.90582%0.821SS**  trans-67.297.3174.8-151.70000110.3D621 S625D621-C623 PolarHBondContact O-N 2.88Å; C623-S625 PolarHBondContact O-N 2.76Å
624K24.3Very low24.7Very low193 Ų193158.1 Ų158.184%0.83982%0.823SS**  trans-80.8106.8177.9-71.2-179.5-179.4176.10109.9G622 V626G622-K624 PolarHBondContact O-N 3.29Å; K624-V626 PolarHBondContact O-N 3.2Å
625S21.6Very low24.7Very low115 Ų115156.8 Ų156.880%0.80482%0.82SS**  trans-63.3118.6170.7600000110.7C623 R627C623-S625 PolarHBondContact O-N 2.76Å; S625-R627 PolarHBondContact O-N 3.4Å
626V19.9Very low24.8Very low123 Ų123160.1 Ų160.175%0.74583%0.826SS**  trans-79.5113.7175.6178.50000108.9K624K624-V626 PolarHBondContact O-N 3.2Å
627R21Very low24.8Very low213 Ų213157.9 Ų157.980%0.80482%0.82SS**  trans-89.3120.4176.1-166176.9-170.6164.70.6108.7S625 E629S625-R627 PolarHBondContact O-N 3.4Å; R627-E629 PolarHBondContact O-N 3.45Å; R627-E629 VanDerWaalsContact O-N 3.14Å
628F20.5Very low24.8Very low199 Ų199155.9 Ų155.987%0.87382%0.818SS**  trans-70.8102.7175.3-67-86.1000110.1
629E24.4Very low24.7Very low165 Ų165159.1 Ų159.177%0.77182%0.824SS**  trans-97.5112.5165.2-72.6-166.3172.800110R627 G631R627-E629 PolarHBondContact O-N 3.45Å; R627-E629 VanDerWaalsContact O-N 3.14Å; E629-G631 VanDerWaalsContact C-N 3.26Å; E629-G631 PolarHBondContact O-N 3.14Å
630S24.3Very low24.4Very low135 Ų135157.4 Ų157.494%0.94482%0.82SS**  trans-74.474.6175.8176.20000110.3
631G26.5Very low24.3Very low62 Ų62153.7 Ų153.764%0.63982%0.816SS**  trans-114.5104.2178.600000112.4E629 R633E629-G631 VanDerWaalsContact C-N 3.26Å; E629-G631 PolarHBondContact O-N 3.14Å; G631-R633 PolarHBondContact O-N 3.01Å
632R24.7Very low24Very low256 Ų256152.5 Ų152.597%0.96681%0.809SS**  trans-57.8107.5167.5-69.8-177-179.2-168.90.3109.7
633R26.3Very low23.9Very low241 Ų241157.4 Ų157.491%0.90982%0.82SS**  trans-131.6131.2161-74.7-168.5179.9-177.21.9110.5G631G631-R633 PolarHBondContact O-N 3.01Å
634K25.7Very low24Very low210 Ų210158.7 Ų158.791%0.91381%0.813SS**  trans-66.4140.2179-74.1178.9173.6-179.30109.6
635I24.5Very low24.2Very low155 Ų155159.4 Ų159.480%0.79582%0.816SS**  trans-73.3126.8179.2-62157.2000108.2
636D26.4Very low24.3Very low155 Ų155160.6 Ų160.683%0.82981%0.814SS**  trans-111.8121.5157.6-113.8-29.4000107.8S638D636-S638 PolarHBondContact O-N 3.31Å
637P24.4Very low24.7Very low114 Ų114161.7 Ų161.774%0.7482%0.815SS**  trans-97.891-172.135.8-29.3000110.8
638S25.9Very low24.9Very low100 Ų100158.3 Ų158.370%0.69981%0.812SS**  trans-157.177.616660.80000110.2D636D636-S638 PolarHBondContact O-N 3.31Å
639E25.7Very low25Very low197 Ų197156.7 Ų156.792%0.92181%0.81SS**  trans-166.880.6154.4-107.6162.9-148.700108.7
640V21.2Very low25.1Very low128 Ų128154.6 Ų154.678%0.77681%0.813SS**  trans-93.5118.7160.9172.50000105.5
641S25.9Very low25.1Very low115 Ų115153 Ų15380%0.80480%0.802SS**  trans-149.5106.4162.5-76.80000109.8
642I21.8Very low25.1Very low132 Ų132157.9 Ų157.968%0.67781%0.813SS**  trans-77.9122.7174.6-65.3158.5000106.6Q644I642-Q644 HydrophobicContact CG2-CG 4.22Å
643N25.4Very low25Very low163 Ų163152.7 Ų152.787%0.87280%0.804SS**  trans-119.7102.6163.6-93.2-22.2000109.1
644Q23.7Very low25Very low161 Ų161150.1 Ų150.175%0.75280%0.802SS**  trans-70139.9159.6-68165.4-14.300108.7I642I642-Q644 HydrophobicContact CG2-CG 4.22Å
645K28.7Very low24.9Very low209 Ų209148.8 Ų148.891%0.90980%0.799SS**  trans-165.1108.1142.6-108.8170.4-174.3-1770109.8
646D23.3Very low24.9Very low140 Ų140148 Ų14875%0.74980%0.802SS**  trans-60.2152.5159.2-57.2-57.9000110.4
647D29.5Very low24.8Very low146 Ų146150 Ų15078%0.78180%0.803SS**  trans-172.2116.2135.7-90-25.6000112.4
648L25.3Very low24.7Very low142 Ų142152 Ų15274%0.74381%0.805SS**  51.5108129.9-70.4152000119.3
649M22Very low24.7Very low165 Ų165153.1 Ų153.181%0.81381%0.811SS**  68.3114.493.8-69.1-74.8-90.100114.9
650S26.3Very low24.6Very low121 Ų121149.2 Ų149.285%0.84680%0.8SS**  179.2126.1119.5-75.90000112
651S24.5Very low24.6Very low100 Ų100149.7 Ų149.770%0.69980%0.798SS**  trans-66.9140.3173.449.50000113.2
652N26.3Very low24.6Very low166 Ų166151.9 Ų151.989%0.88880%0.801SS**  trans-131.9108.3153.4-82.3-31.7000109
653L22.3Very low24.7Very low147 Ų147150.7 Ų150.777%0.7780%0.799SS**  trans-78.4122.3164.6-97.679.8000107.9
654E26.1Very low24.8Very low186 Ų186149.4 Ų149.487%0.86980%0.797SS**  trans-128.3116.4155.6-80.3-169.1159.600110.2
655Q22.9Very low24.7Very low182 Ų182147.5 Ų147.585%0.8579%0.792SS**  trans-77.6119177.1-67.2169.9-21.400109.1
656V25.8Very low24.6Very low140 Ų140143.6 Ų143.685%0.84879%0.786SS**  trans-107.4122.2170.5179.90000109.7
657K23.5Very low24.8Very low197 Ų197142.7 Ų142.786%0.85779%0.785SS**PPolyproline II helixtrans-66.9138.9-173.3-74.6171.2173.3173.60112.8
658I23.7Very low24.6Very low154 Ų154142.4 Ų142.479%0.7978%0.784SS**PPolyproline II helixtrans-81.5124.5169.5-61.3164.1000108.6
659P25.6Very low24.8Very low125 Ų125143.2 Ų143.281%0.81279%0.789SS**PPolyproline II helixtrans-90.5117.5168.331.6-24.8000110.2
660T22.4Very low24.9Very low115 Ų115143.8 Ų143.871%0.70679%0.79SS**PPolyproline II helixtrans-81.7143.7170.922.40000112.4
661L21.6Very low24.8Very low138 Ų138145.4 Ų145.472%0.72379%0.788SS**  trans56.5120150.3-89.187.1000118.9
662N26.9Very low24.9Very low161 Ų161146.2 Ų146.286%0.86179%0.789SS**  -145.1110.5126.8-96.4-23.7000109.5
663V23Very low24.8Very low106 Ų106143.9 Ų143.964%0.64278%0.78SS**  trans-88.5117.9168.1171.30000105.9
664V27.7Very low25Very low136 Ų136144.2 Ų144.282%0.82478%0.782SS**  trans-121.6118.3165.8178.20000107.4
665N22.2Very low24.9Very low122 Ų122144.1 Ų144.165%0.65278%0.782SS**  trans-76.3176.1177.1-69.9-36.7000111.4
666T25.8Very low25Very low127 Ų127139.8 Ų139.878%0.77978%0.777SS**  trans74.6133.8156.960.30000115.2
667T27.7Very low24.9Very low121 Ų121137.8 Ų137.874%0.74278%0.776SS**  cis-168.415410.711.10000108.3
668D25.9Very low25.1Very low140 Ų140136.9 Ų136.975%0.74977%0.774SS**  trans-35.1132.4164.2-59.8-56.3000114.7
669D29.1Very low25Very low159 Ų159138.9 Ų138.985%0.8578%0.78SS**  trans-137.4106148.4-92.7-30.3000108.7
670Q23.7Very low25Very low177 Ų177138.9 Ų138.983%0.82778%0.782SS**  trans-85.7116.5165.5-67.2176.913.300107.7
671L25Very low25.1Very low155 Ų155142.5 Ų142.581%0.81279%0.791SS**  trans-129.795.8166.1-85.5169.1000110.4
672V26.1Very low25.1Very low117 Ų117145 Ų14571%0.70980%0.796SS**  trans34.2120.1130.5-172.60000118
673V24.6Very low25.1Very low117 Ų117146.5 Ų146.571%0.70980%0.795SS**  trans-63.7116.8165.5-177.10000109.9E675V673-E675 HydrophobicContact CG1-CG 3.89Å
674D25.6Very low25.1Very low153 Ų153150.1 Ų150.182%0.81880%0.802SS**  trans-101.2101.3162.8-81.1-27.7000108.9A676D674-A676 PolarHBondContact O-N 3.4Å
675E24.1Very low25Very low185 Ų185152.6 Ų152.686%0.86481%0.805SS**  trans-77.691.9166.7-68.3-178.9161.800108.7V673V673-E675 HydrophobicContact CG1-CG 3.89Å
676A25.8Very low25.2Very low90 Ų90155 Ų15574%0.74481%0.812SS**  trans-100.898.7166.700000109.3D674 E678D674-A676 PolarHBondContact O-N 3.4Å; A676-E678 PolarHBondContact O-N 3.37Å
677A23.6Very low25.3Very low99 Ų99156 Ų15682%0.81881%0.813SS**  trans-74.5102.7168.700000109.3
678E26.5Very low25.4Very low178 Ų178158.6 Ų158.683%0.83281%0.814SS**  trans-101.6106.2165.1-74.2-169.8165.800109.5A676 C680A676-E678 PolarHBondContact O-N 3.37Å; E678-C680 PolarHBondContact O-N 3.45Å; E678-C680 VanDerWaalsContact O-N 3.13Å
679E22.7Very low25.7Very low196 Ų196157.1 Ų157.192%0.91681%0.814SS**  trans-67.195.6171.6-64.817915500109.5
680C25Very low25.8Very low125 Ų125157.9 Ų157.985%0.84581%0.813SS**  trans-88.7120.5169.7-103.60000111.2E678E678-C680 PolarHBondContact O-N 3.45Å; E678-C680 VanDerWaalsContact O-N 3.13Å
681E24.7Very low26.5Very low190 Ų190151.8 Ų151.889%0.88880%0.797SS**  trans-55133.8-176.6-73.9179.1134.100114.7K683E681-K683 PolarHBondContact O-N 3.1Å
682F21.4Very low27.1Very low191 Ų191151.9 Ų151.984%0.83879%0.791SS**  trans-51.3109.2165-100.7-103.3000112.1
683K26.7Very low27.7Very low193 Ų193154 Ų15484%0.83979%0.794SS**  trans-96106.6154.1-76.4-172.9178177.10109.1E681 E685E681-K683 PolarHBondContact O-N 3.1Å; K683-E685 PolarHBondContact O-N 2.66Å; K683-E685 VanDerWaalsContact O-N 3.1Å
684K23.9Very low29Very low181 Ų181152.8 Ų152.879%0.78778%0.783SS**  trans-67.793.8168.7-68.7177.1176.5-179.90108.6
685E25.9Very low30.2Very low188 Ų188147.6 Ų147.688%0.87976%0.762SS**  trans-92.393.8157.3-77-173.9170.600107.5K683 D687K683-E685 PolarHBondContact O-N 2.66Å; K683-E685 VanDerWaalsContact O-N 3.1Å; E685-D687 PolarHBondContact O-N 3.23Å
686E24.7Very low31.6Very low172 Ų172144.7 Ų144.780%0.80475%0.748SS**  trans-63104.4158.9-68.4177.4165.400107
687D28.6Very low33.2Very low150 Ų150146.2 Ų146.280%0.80274%0.74SS**  trans-172.8135.6148-99.6-23.9000113.4E685E685-D687 PolarHBondContact O-N 3.23Å
688K31Very low34.7Very low175 Ų175149.2 Ų149.276%0.76173%0.73SS**  trans84.176.9163.2-58.7174.5-172.9179.40117.8E690K688-E690 PolarHBondContact O-N 2.8Å; K688-E690 VanDerWaalsContact O-N 3.08Å
689S31.3Very low36.1Very low109 Ų109145.5 Ų145.576%0.76272%0.716SS**THydrogen-bonded Turntrans-66.914.1164.351.60000116
690E31.6Very low37.9Very low175 Ų175144.4 Ų144.482%0.81870%0.703SS**THydrogen-bonded Turntrans-93.5-5.8-178.2-68.6-172.9163.400114.1K688K688-E690 PolarHBondContact O-N 2.8Å; K688-E690 VanDerWaalsContact O-N 3.08Å
691G38.1Very low39.6Very low48 Ų48142.8 Ų142.850%0.49569%0.686SS.*SBendtrans-88.5-28.6-179.900000115.6A695G691-A695 PolarHBondContact O-N 3.19Å
692F37.1Very low41Very low157 Ų157138.3 Ų138.369%0.68967%0.668SS**Hα-helixtrans-78.3-33.6-167.7-80.1-80.6000114.1N694 A695 H696F692-N694 VanDerWaalsContact C-N 3.26Å; F692-N694 PolarHBondContact O-N 2.91Å; F692-A695 PolarHBondContact O-N 3.03Å; F692-H696 PolarHBondContact O-N 2.87Å
693E39.2Very low42.8Very low163 Ų163133.2 Ų133.276%0.76265%0.652SS**Hα-helixtrans-64.6-35.8176-70.6-164153.500111.4A695 H696 E697E693-A695 PolarHBondContact O-N 3.18Å; E693-H696 PolarHBondContact O-N 2.91Å; E693-E697 PolarHBondContact O-N 3.34Å; E693-E697 VanDerWaalsContact O-N 3.14Å
694N51.5Low44Very low90 Ų90128.2 Ų128.248%0.48164%0.635SS.*Hα-helixtrans-69.7-33.3-179.5-131.9-19.2000112.5F692 R698F692-N694 VanDerWaalsContact C-N 3.26Å; F692-N694 PolarHBondContact O-N 2.91Å; N694-R698 WeakPolarHBondContact O-CB 3.38Å; N694-R698 WeakPolarHBondContact O-CG 3.43Å; N694-R698 PolarHBondContact O-N 3.34Å
695A50.1Low45.4Very low45 Ų45125.5 Ų125.537%0.37263%0.625SS.*Hα-helixtrans-69.2-41.5176.400000112.2G691 F692 E693 N699G691-A695 PolarHBondContact O-N 3.19Å; F692-A695 PolarHBondContact O-N 3.03Å; E693-A695 PolarHBondContact O-N 3.18Å; A695-N699 WeakPolarHBondContact O-CB 3.38Å; A695-N699 PolarHBondContact O-N 2.86Å; A695-N699 PolarHBondContact O-ND2 3.21Å
696H55.1Low46.5Very low123 Ų123120.1 Ų120.157%0.56961%0.605SS**Hα-helixtrans-65.9-39.6176.9-84.6-60000112.6F692 E693 N699 R700F692-H696 PolarHBondContact O-N 2.87Å; E693-H696 PolarHBondContact O-N 2.91Å; H696-N699 PolarHBondContact O-N 3.37Å; H696-R700 WeakPolarHBondContact O-CG 3.49Å; H696-R700 PolarHBondContact O-N 3.35Å
697E58Low47.6Very low123 Ų123118.2 Ų118.258%0.57559%0.594SS**Hα-helixtrans-70.5-41.3177.8-169.8146.2-162.800112.1E693 N699 R700 N701E693-E697 PolarHBondContact O-N 3.34Å; E693-E697 VanDerWaalsContact O-N 3.14Å; E697-N699 PolarHBondContact O-N 2.78Å; E697-R700 PolarHBondContact O-N 2.8Å; E697-N701 WeakPolarHBondContact O-CB 3.31Å; E697-N701 PolarHBondContact O-N 3.26Å
698R56.3Low48.5Very low162 Ų162115.7 Ų115.761%0.61158%0.579SS**Hα-helixtrans-57.9-47.1170.5-78.8179.9-169.4162.23.9112N694 R700 N701 L702N694-R698 WeakPolarHBondContact O-CB 3.38Å; N694-R698 WeakPolarHBondContact O-CG 3.43Å; N694-R698 PolarHBondContact O-N 3.34Å; R698-R700 VanDerWaalsContact C-N 3.33Å; R698-R700 PolarHBondContact O-N 3.4Å; R698-N701 PolarHBondContact O-N 3.25Å; R698-L702 WeakPolarHBondContact O-CB 3.4Å; R698-L702 PolarHBondContact O-N 2.83Å
699N54.9Low49.1Very low100 Ų100111.8 Ų111.854%0.53557%0.566SS.*Hα-helixtrans-62.1-39178.3-90.4-35.3000112.4A695 H696 E697 T703A695-N699 WeakPolarHBondContact O-CB 3.38Å; A695-N699 PolarHBondContact O-N 2.86Å; A695-N699 PolarHBondContact O-ND2 3.21Å; H696-N699 PolarHBondContact O-N 3.37Å; E697-N699 PolarHBondContact O-N 2.78Å; N699-T703 WeakPolarHBondContact O-CB 3.45Å; N699-T703 PolarHBondContact O-N 2.87Å; N699-T703 PolarHBondContact O-OG1 3.38Å
700R61.3Low49.8Very low173 Ų173111.4 Ų111.465%0.65356%0.555SS**Hα-helixtrans-65.1-42.9173.8-78.1179.2-179.81552.9112.2H696 E697 R698 T703 N704H696-R700 WeakPolarHBondContact O-CG 3.49Å; H696-R700 PolarHBondContact O-N 3.35Å; E697-R700 PolarHBondContact O-N 2.8Å; R698-R700 VanDerWaalsContact C-N 3.33Å; R698-R700 PolarHBondContact O-N 3.4Å; R700-T703 PolarHBondContact O-N 3.35Å; R700-N704 WeakPolarHBondContact O-CB 3.22Å; R700-N704 PolarHBondContact O-N 2.92Å; R700-N704 PolarHBondContact O-ND2 3.23Å
701N61Low50.6Low90 Ų90108.6 Ų108.648%0.48155%0.545SS..Hα-helixtrans-65.3-45.1178.4-73.9-18.8000111.8E697 R698 T703 N704 E705E697-N701 WeakPolarHBondContact O-CB 3.31Å; E697-N701 PolarHBondContact O-N 3.26Å; R698-N701 PolarHBondContact O-N 3.25Å; N701-T703 VanDerWaalsContact C-N 3.35Å; N701-T703 PolarHBondContact O-N 2.83Å; N701-N704 PolarHBondContact O-N 3.08Å; N701-E705 PolarHBondContact O-N 3.03Å
702L54Low50.8Low97 Ų97115.7 Ų115.751%0.50856%0.557SS.*Hα-helixtrans-58.9-44.3171.7-91.8140000111.7R698 N704 E705 V706R698-L702 WeakPolarHBondContact O-CB 3.4Å; R698-L702 PolarHBondContact O-N 2.83Å; L702-N704 VanDerWaalsContact C-N 3.3Å; L702-N704 PolarHBondContact O-N 3.35Å; L702-E705 PolarHBondContact O-N 2.95Å; L702-V706 WeakPolarHBondContact O-CB 2.99Å; L702-V706 VanDerWaalsContact O-CG2 3.22Å; L702-V706 WeakPolarHBondContact O-CG2 3.48Å; L702-V706 PolarHBondContact O-N 3.34Å
703T58.5Low51.3Low84 Ų84113.2 Ų113.252%0.51555%0.55SS..Hα-helixtrans-61.4-40.4176.6-55.80000111.3N699 R700 N701 K707N699-T703 WeakPolarHBondContact O-CB 3.45Å; N699-T703 PolarHBondContact O-N 2.87Å; N699-T703 PolarHBondContact O-OG1 3.38Å; R700-T703 PolarHBondContact O-N 3.35Å; N701-T703 VanDerWaalsContact C-N 3.35Å; N701-T703 PolarHBondContact O-N 2.83Å; T703-K707 WeakPolarHBondContact O-CB 3.36Å; T703-K707 PolarHBondContact O-N 3.02Å
704N52.7Low52Low88 Ų88112 Ų11247%0.47154%0.539SS..Hα-helixtrans-69.3-40.8177.5-71.1-24.7000112.1R700 N701 L702 K707 L708R700-N704 WeakPolarHBondContact O-CB 3.22Å; R700-N704 PolarHBondContact O-N 2.92Å; R700-N704 PolarHBondContact O-ND2 3.23Å; N701-N704 PolarHBondContact O-N 3.08Å; L702-N704 VanDerWaalsContact C-N 3.3Å; L702-N704 PolarHBondContact O-N 3.35Å; N704-K707 PolarHBondContact O-N 3.37Å; N704-L708 WeakPolarHBondContact O-CB 3.22Å; N704-L708 PolarHBondContact O-N 2.81Å
705E52.5Low52.2Low124 Ų124109.4 Ų109.458%0.57953%0.526SS*.Hα-helixtrans-65.1-46.5174.4-80.7-164.4153.100111.9N701 L702 K707 L708 I709N701-E705 PolarHBondContact O-N 3.03Å; L702-E705 PolarHBondContact O-N 2.95Å; E705-K707 VanDerWaalsContact C-N 3.28Å; E705-K707 PolarHBondContact O-N 3.33Å; E705-L708 CarbonylContact O-C 3.37Å; E705-L708 WeakPolarHBondContact O-CB 3.47Å; E705-L708 PolarHBondContact O-N 2.82Å; E705-L708 VanDerWaalsContact O-N 3.13Å; E705-I709 VanDerWaalsContact O-CG1 3.31Å; E705-I709 WeakPolarHBondContact O-CG1 3.39Å; E705-I709 PolarHBondContact O-N 2.82Å
706V49.9Very low52.1Low75 Ų75110.4 Ų110.446%0.45553%0.528SS..Hα-helixtrans-59.5-43.1175.4169.80000110L702 L708 I709 L710L702-V706 WeakPolarHBondContact O-CB 2.99Å; L702-V706 VanDerWaalsContact O-CG2 3.22Å; L702-V706 WeakPolarHBondContact O-CG2 3.48Å; L702-V706 PolarHBondContact O-N 3.34Å; V706-L708 PolarHBondContact O-N 3.41Å; V706-I709 PolarHBondContact O-N 3.08Å; V706-L710 HydrophobicContact CG1-CD1 3.7Å; V706-L710 HydrophobicContact CG1-CG 4.24Å; V706-L710 WeakPolarHBondContact O-CB 3.4Å; V706-L710 VanDerWaalsContact O-CG 3.23Å; V706-L710 WeakPolarHBondContact O-CG 3.36Å; V706-L710 PolarHBondContact O-N 3.37Å
707K48.1Very low51.8Low132 Ų132105.1 Ų105.157%0.57451%0.505SS*.Hα-helixtrans-61.8-42.7174.9-170.8179179.6-173.60112T703 N704 E705 L710 D711T703-K707 WeakPolarHBondContact O-CB 3.36Å; T703-K707 PolarHBondContact O-N 3.02Å; N704-K707 PolarHBondContact O-N 3.37Å; E705-K707 VanDerWaalsContact C-N 3.28Å; E705-K707 PolarHBondContact O-N 3.33Å; K707-L710 PolarHBondContact O-N 2.84Å; K707-D711 VanDerWaalsContact O-CB 3.32Å; K707-D711 WeakPolarHBondContact O-CB 3.44Å; K707-D711 VanDerWaalsContact O-CG 3.24Å; K707-D711 PolarHBondContact O-N 2.85Å
708L46.6Very low51.2Low96 Ų96101.3 Ų101.350%0.50349%0.492SS..Hα-helixtrans-62.9-40.5174.8-102.4148.8000112.8N704 E705 V706 R712N704-L708 WeakPolarHBondContact O-CB 3.22Å; N704-L708 PolarHBondContact O-N 2.81Å; E705-L708 CarbonylContact O-C 3.37Å; E705-L708 WeakPolarHBondContact O-CB 3.47Å; E705-L708 PolarHBondContact O-N 2.82Å; E705-L708 VanDerWaalsContact O-N 3.13Å; V706-L708 PolarHBondContact O-N 3.41Å; L708-R712 VanDerWaalsContact O-CG 3.3Å; L708-R712 WeakPolarHBondContact O-CG 3.26Å; L708-R712 PolarHBondContact O-N 2.8Å
709I44.4Very low50.6Low93 Ų9397.1 Ų97.148%0.47748%0.484SS..Hα-helixtrans-69-45.8177.1-68.2166.3000110E705 V706 D711 R712 I713E705-I709 VanDerWaalsContact O-CG1 3.31Å; E705-I709 WeakPolarHBondContact O-CG1 3.39Å; E705-I709 PolarHBondContact O-N 2.82Å; V706-I709 PolarHBondContact O-N 3.08Å; I709-D711 VanDerWaalsContact C-N 3.31Å; I709-D711 PolarHBondContact O-N 3.41Å; I709-R712 CarbonylContact O-C 3.39Å; I709-R712 WeakPolarHBondContact O-CA 3.34Å; I709-R712 WeakPolarHBondContact O-CB 3.47Å; I709-R712 PolarHBondContact O-N 2.81Å; I709-I713 HydrophobicContact CG2-CD1 4.01Å; I709-I713 HydrophobicContact CG2-CG1 4.48Å; I709-I713 WeakPolarHBondContact O-CG1 3.47Å; I709-I713 PolarHBondContact O-N 3.39Å
710L46Very low50.4Low102 Ų10295.4 Ų95.453%0.53447%0.471SS..Hα-helixtrans-63.1-37.1177.3-72.1171.1000111.8V706 K707 R712 I713V706-L710 HydrophobicContact CG1-CD1 3.7Å; V706-L710 HydrophobicContact CG1-CG 4.24Å; V706-L710 WeakPolarHBondContact O-CB 3.4Å; V706-L710 VanDerWaalsContact O-CG 3.23Å; V706-L710 WeakPolarHBondContact O-CG 3.36Å; V706-L710 PolarHBondContact O-N 3.37Å; K707-L710 PolarHBondContact O-N 2.84Å; L710-R712 PolarHBondContact O-N 3.35Å; L710-I713 HydrophobicContact CD2-CD1 4.42Å; L710-I713 PolarHBondContact O-N 3.2Å
711D46.8Very low49.4Very low115 Ų11587.6 Ų87.662%0.61544%0.444SS*.Hα-helixtrans-67.5-23.3173.2-76.4-16.9000112.3K707 I709K707-D711 VanDerWaalsContact O-CB 3.32Å; K707-D711 WeakPolarHBondContact O-CB 3.44Å; K707-D711 VanDerWaalsContact O-CG 3.24Å; K707-D711 PolarHBondContact O-N 2.85Å; I709-D711 VanDerWaalsContact C-N 3.31Å; I709-D711 PolarHBondContact O-N 3.41Å
712R43Very low48.2Very low198 Ų19889.9 Ų89.975%0.74745%0.447SS*.Hα-helixtrans-85.1-25.8174.2-75.1175179.9-1772113.7L708 I709 L710 R714L708-R712 VanDerWaalsContact O-CG 3.3Å; L708-R712 WeakPolarHBondContact O-CG 3.26Å; L708-R712 PolarHBondContact O-N 2.8Å; I709-R712 CarbonylContact O-C 3.39Å; I709-R712 WeakPolarHBondContact O-CA 3.34Å; I709-R712 WeakPolarHBondContact O-CB 3.47Å; I709-R712 PolarHBondContact O-N 2.81Å; L710-R712 PolarHBondContact O-N 3.35Å; R712-R714 PolarHBondContact O-N 3.25Å
713I46.7Very low47.2Very low104 Ų10486.6 Ų86.653%0.53343%0.43SS..SBendtrans-73.1121.3179.2-68.2166.4000108.5I709 L710I709-I713 HydrophobicContact CG2-CD1 4.01Å; I709-I713 HydrophobicContact CG2-CG1 4.48Å; I709-I713 WeakPolarHBondContact O-CG1 3.47Å; I709-I713 PolarHBondContact O-N 3.39Å; L710-I713 HydrophobicContact CD2-CD1 4.42Å; L710-I713 PolarHBondContact O-N 3.2Å
714R54.9Low45.8Very low138 Ų13885.3 Ų85.352%0.52142%0.424SS..PPolyproline II helixtrans-63.5126.7177.5-65.8-178.1-172.8-160.4-3.1109.2D301 I304 R712 V716D301-R714 IonicContact OD2-NH1 3.86Å; I304-R714 HydrophobicContact CD1-CB 4.48Å; R712-R714 PolarHBondContact O-N 3.25Å; R714-V716 PolarHBondContact O-N 3.3Å
715P55.3Low44.8Very low35 Ų3585.8 Ų85.823%0.22743%0.43CS..PPolyproline II helixtrans-69127.5179.126.7-32.1000109.8C303 I304 R373 I723C303-P715 HydrophobicContact CB-CG 4.24Å; I304-P715 PolarHBondContact N-O 3.14Å; R373-P715 VanDerWaalsContact CZ-CG 3.44Å; R373-P715 VanDerWaalsContact NH2-CB 3.35Å; R373-P715 VanDerWaalsContact NH2-CG 3.29Å; P715-I723 HydrophobicContact CB-CG2 4.24Å
716V48.6Very low43.5Very low67 Ų6785.1 Ų85.141%0.40643%0.429SS..BIsolated β-bridgetrans-88.8120.5167.7-1770000106.9I304 R714 S718I304-V716 HydrophobicContact CB-CG2 4.48Å; I304-V716 WeakPolarHBondContact O-CA 3.5Å; R714-V716 PolarHBondContact O-N 3.3Å; V716-S718 PolarHBondContact O-N 2.99Å
717S49.3Very low42.4Very low12 Ų1292 Ų928%0.08445%0.447CS..BIsolated β-bridgetrans-62.6125.5169.4-172.70000108.2I304I304-S717 PolarHBondContact O-N 3.2Å
718S44.5Very low41.4Very low42 Ų4295.6 Ų95.629%0.29446%0.459SS..PPolyproline II helixtrans-83.7171.4168.178.50000110.2V716 Y720 G721 Y722V716-S718 PolarHBondContact O-N 2.99Å; S718-Y720 PolarHBondContact O-N 3.41Å; S718-G721 PolarHBondContact O-N 3.35Å; S718-Y722 WeakPolarHBondContact CA-O 3.32Å; S718-Y722 VanDerWaalsContact CB-O 3.26Å; S718-Y722 WeakPolarHBondContact CB-O 3.47Å; S718-Y722 PolarHBondContact N-O 2.85Å; S718-Y722 VanDerWaalsContact OG-CB 3.23Å; S718-Y722 WeakPolarHBondContact OG-CB 3.3Å; S718-Y722 PolarHBondContact OG-O 2.83Å
719T44.3Very low40.5Very low74 Ų7497.4 Ų97.445%0.45447%0.473SS..G310 helixtrans-44.5128.6179.723.30000111.5P307 G721 Y722P307-T719 WeakPolarHBondContact O-CA 3.49Å; P307-T719 WeakPolarHBondContact O-CG2 3.35Å; T719-G721 PolarHBondContact O-N 2.91Å; T719-Y722 WeakPolarHBondContact O-CD2 3.14Å
720Y50.3Low39.6Very low64 Ų64104.1 Ų104.125%0.25151%0.509SS..G310 helixtrans68.927.2173.2-49.5-57.1000117.9K192 C193 P194 G308 R365 S718 Y722K192-Y720 PolarHBondContact O-OH 3.01Å; C193-Y720 HydrophobicContact CB-CE1 4.43Å; P194-Y720 HydrophobicContact CG-CD1 3.69Å; P194-Y720 HydrophobicContact CG-CD2 4.14Å; P194-Y720 HydrophobicContact CG-CE1 4.14Å; P194-Y720 HydrophobicContact CG-CG 3.66Å; G308-Y720 WeakPolarHBondContact O-CA 3.49Å; G308-Y720 PolarHBondContact O-N 2.8Å; G308-Y720 VanDerWaalsContact O-N 3.1Å; R365-Y720 PolarHBondContact NH2-O 2.73Å; R365-Y720 VanDerWaalsContact NH2-O 3.13Å; S718-Y720 PolarHBondContact O-N 3.41Å; Y720-Y722 VanDerWaalsContact C-N 3.27Å; Y720-Y722 PolarHBondContact O-N 2.82Å
721G39.8Very low39.2Very low9 Ų9104.3 Ų104.39%0.09351%0.508CS..G310 helixtrans81.28.2173.100000113.7S718 T719 I723S718-G721 PolarHBondContact O-N 3.35Å; T719-G721 PolarHBondContact O-N 2.91Å; G721-I723 VanDerWaalsContact C-N 3.26Å; G721-I723 PolarHBondContact O-N 3.07Å
722Y36.4Very low38.8Very low139 Ų139103.7 Ų103.755%0.54550%0.502SS..  trans-68.393.2158.8-65.8-74.6000106.7S718 T719 Y720 S724S718-Y722 WeakPolarHBondContact CA-O 3.32Å; S718-Y722 VanDerWaalsContact CB-O 3.26Å; S718-Y722 WeakPolarHBondContact CB-O 3.47Å; S718-Y722 PolarHBondContact N-O 2.85Å; S718-Y722 VanDerWaalsContact OG-CB 3.23Å; S718-Y722 WeakPolarHBondContact OG-CB 3.3Å; S718-Y722 PolarHBondContact OG-O 2.83Å; T719-Y722 WeakPolarHBondContact O-CD2 3.14Å; Y720-Y722 VanDerWaalsContact C-N 3.27Å; Y720-Y722 PolarHBondContact O-N 2.82Å; Y722-S724 PolarHBondContact O-N 3Å
723I33.4Very low38.6Very low28 Ų2898.4 Ų98.414%0.14449%0.489CS..BIsolated β-bridgetrans-65.2110.1159.9-70154.7000104.4R370 R373 P715 G721 T725R370-I723 HydrophobicContact CG-CD1 4.31Å; R373-I723 VanDerWaalsContact NH2-CG1 3.35Å; P715-I723 HydrophobicContact CB-CG2 4.24Å; G721-I723 VanDerWaalsContact C-N 3.26Å; G721-I723 PolarHBondContact O-N 3.07Å; I723-T725 HydrophobicContact CG2-CG2 4.1Å; I723-T725 PolarHBondContact O-N 2.91Å
724S28.3Very low38.1Very low56 Ų5698.1 Ų98.139%0.39249%0.486SS..  trans-67.682.5172.5-174.80000108.1Y722 I726Y722-S724 PolarHBondContact O-N 3Å; S724-I726 PolarHBondContact O-N 2.76Å; S724-I726 WeakPolarHBondContact OG-CD1 2.99Å; S724-I726 WeakPolarHBondContact OG-CG1 3.39Å
725T32Very low37.1Very low99 Ų9995.6 Ų95.661%0.60748%0.484SS*.  trans-83.773.1150.554.30000105.4I723 R727I723-T725 HydrophobicContact CG2-CG2 4.1Å; I723-T725 PolarHBondContact O-N 2.91Å; T725-R727 PolarHBondContact O-N 3.24Å
726I25.3Very low35.9Very low110 Ų11099.7 Ų99.756%0.56450%0.501SS*.  trans-6290.9163.6-72.1158.5000105.4S724 Y728S724-I726 PolarHBondContact O-N 2.76Å; S724-I726 WeakPolarHBondContact OG-CD1 2.99Å; S724-I726 WeakPolarHBondContact OG-CG1 3.39Å; I726-Y728 VanDerWaalsContact C-N 3.33Å; I726-Y728 HydrophobicContact CG2-CD2 3.35Å; I726-Y728 HydrophobicContact CG2-CE2 3.44Å; I726-Y728 VanDerWaalsContact CG2-CE2 3.44Å; I726-Y728 HydrophobicContact CG2-CG 4.12Å; I726-Y728 PolarHBondContact O-N 3.4Å
727R26.1Very low35Very low219 Ų219102 Ų10283%0.82651%0.508SS*.  trans-75.396.9153.1-72.8-177.8179177.10.9103.5T725 V729T725-R727 PolarHBondContact O-N 3.24Å; R727-V729 PolarHBondContact O-N 3.28Å
728Y26.9Very low33.9Very low208 Ų208108.9 Ų108.982%0.81654%0.54SS*.  trans-55.4106.5154.3-85.5-84.7000105.2I726 L730I726-Y728 VanDerWaalsContact C-N 3.33Å; I726-Y728 HydrophobicContact CG2-CD2 3.35Å; I726-Y728 HydrophobicContact CG2-CE2 3.44Å; I726-Y728 VanDerWaalsContact CG2-CE2 3.44Å; I726-Y728 HydrophobicContact CG2-CG 4.12Å; I726-Y728 PolarHBondContact O-N 3.4Å; Y728-L730 PolarHBondContact O-N 3.01Å
729V28Very low33Very low134 Ų134114.5 Ų114.581%0.81256%0.561SS**  trans-65.2117.6160.3174.60000103.5R727R727-V729 PolarHBondContact O-N 3.28Å
730L24.8Very low31.9Very low234 Ų234118.2 Ų118.2100%1.22557%0.57SS**  trans-12.40174.4-81.5151000116.2Y728Y728-L730 PolarHBondContact O-N 3.01Å

Retrieved 730 of 730 residues in 184.1 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).