A0A3Q0KL05_SCHMA Loading...

Protein kinase

AlphaFold DB , UniProt , Accession A0A3Q0KL05, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 903 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
1M45.2Very low43.9Very low182 Ų182120.6 Ų120.690%0.89761%0.613SS**  0-7.10-69.4173.7-155.600112.1S3 V4 F5M1-S3 PolarHBondContact O-N 2.81Å; M1-V4 WeakPolarHBondContact O-CB 3.26Å; M1-V4 PolarHBondContact O-N 3.36Å; M1-F5 HydrophobicContact CB-CD2 4.45Å; M1-F5 PolarHBondContact O-N 3.31Å; M1-F5 VanDerWaalsContact O-N 3.1Å
2D39.5Very low44.4Very low115 Ų115113.7 Ų113.762%0.61558%0.581SS**Hα-helixtrans-75.9-29.2-156.9-46.4-81.6000112.2V4 F5 N6D2-V4 VanDerWaalsContact C-N 3.33Å; D2-V4 PolarHBondContact O-N 3.38Å; D2-F5 PolarHBondContact O-N 3.36Å; D2-N6 VanDerWaalsContact O-CB 3.26Å; D2-N6 WeakPolarHBondContact O-CB 3.5Å; D2-N6 VanDerWaalsContact O-CG 3.25Å; D2-N6 PolarHBondContact O-N 3.23Å; D2-N6 PolarHBondContact O-ND2 3.08Å
3S38.2Very low44.8Very low83 Ų83110.5 Ų110.558%0.5858%0.575SS**Hα-helixtrans-64.6-34.6169.8-174.60000112.6M1 K7M1-S3 PolarHBondContact O-N 2.81Å; S3-K7 WeakPolarHBondContact O-CB 3.32Å; S3-K7 WeakPolarHBondContact O-CG 3.49Å; S3-K7 PolarHBondContact O-N 2.99Å
4V47.1Very low45Very low95 Ų95107.4 Ų107.458%0.57658%0.584SS**Hα-helixtrans-74.4-44.8175.9-178.70000110M1 D2 N6 K7 L8M1-V4 WeakPolarHBondContact O-CB 3.26Å; M1-V4 PolarHBondContact O-N 3.36Å; D2-V4 VanDerWaalsContact C-N 3.33Å; D2-V4 PolarHBondContact O-N 3.38Å; V4-N6 VanDerWaalsContact C-N 3.34Å; V4-N6 PolarHBondContact O-N 3.22Å; V4-K7 PolarHBondContact O-N 3.05Å; V4-L8 HydrophobicContact CG1-CD1 4.18Å; V4-L8 PolarHBondContact O-N 3.05Å
5F46.9Very low45.6Very low146 Ų146105.5 Ų105.564%0.6459%0.588SS**Hα-helixtrans-57-44.3172.3-102.2-87.3000112.4M1 D2 L8 K9M1-F5 HydrophobicContact CB-CD2 4.45Å; M1-F5 PolarHBondContact O-N 3.31Å; M1-F5 VanDerWaalsContact O-N 3.1Å; D2-F5 PolarHBondContact O-N 3.36Å; F5-L8 PolarHBondContact O-N 2.62Å; F5-K9 VanDerWaalsContact O-CB 3.28Å; F5-K9 WeakPolarHBondContact O-CB 3.39Å; F5-K9 PolarHBondContact O-N 3.29Å
6N45.3Very low46.6Very low101 Ų101100.4 Ų100.454%0.5456%0.559SS.*Hα-helixtrans-67.9-34.3177.6-76.2-26.9000112.7D2 V4 T10D2-N6 VanDerWaalsContact O-CB 3.26Å; D2-N6 WeakPolarHBondContact O-CB 3.5Å; D2-N6 VanDerWaalsContact O-CG 3.25Å; D2-N6 PolarHBondContact O-N 3.23Å; D2-N6 PolarHBondContact O-ND2 3.08Å; V4-N6 VanDerWaalsContact C-N 3.34Å; V4-N6 PolarHBondContact O-N 3.22Å; N6-T10 WeakPolarHBondContact O-CB 3.12Å; N6-T10 WeakPolarHBondContact O-CG2 3.33Å; N6-T10 PolarHBondContact O-N 3.26Å; N6-T10 PolarHBondContact O-OG1 2.79Å
7K42.4Very low47.6Very low144 Ų14495.4 Ų95.463%0.62653%0.532SS*.Hα-helixtrans-68.2-35.7171.3-78.4-179.1-179.8-177.10112.9S3 V4 T10 K11S3-K7 WeakPolarHBondContact O-CB 3.32Å; S3-K7 WeakPolarHBondContact O-CG 3.49Å; S3-K7 PolarHBondContact O-N 2.99Å; V4-K7 PolarHBondContact O-N 3.05Å; K7-T10 WeakPolarHBondContact CA-OG1 3.41Å; K7-T10 PolarHBondContact O-OG1 2.87Å; K7-K11 WeakPolarHBondContact O-CB 3.43Å; K7-K11 WeakPolarHBondContact O-CG 3.43Å; K7-K11 PolarHBondContact O-N 3.15Å; K7-K11 VanDerWaalsContact O-N 3.09Å
8L44.8Very low48.8Very low104 Ų10493.1 Ų93.155%0.54553%0.533SS..Hα-helixtrans-69.7-47.7172.9-94.2148.8000111.4V4 F5 T10 K11 V12V4-L8 HydrophobicContact CG1-CD1 4.18Å; V4-L8 PolarHBondContact O-N 3.05Å; F5-L8 PolarHBondContact O-N 2.62Å; L8-T10 VanDerWaalsContact C-N 3.33Å; L8-T10 PolarHBondContact O-N 3.17Å; L8-K11 PolarHBondContact O-N 2.96Å; L8-K11 VanDerWaalsContact O-N 3.15Å; L8-V12 WeakPolarHBondContact O-CG2 3.31Å; L8-V12 PolarHBondContact O-N 2.88Å
9K45.7Very low50.7Low93 Ų9388.2 Ų88.240%0.40451%0.506SS..Hα-helixtrans-59.3-40.7177.9-169.2173.7-177.6178.90112.4F5 S13 D26F5-K9 VanDerWaalsContact O-CB 3.28Å; F5-K9 WeakPolarHBondContact O-CB 3.39Å; F5-K9 PolarHBondContact O-N 3.29Å; K9-S13 WeakPolarHBondContact O-CB 3.46Å; K9-S13 PolarHBondContact O-N 3.05Å; K9-D26 WeakPolarHBondContact CE-OD1 3.32Å; K9-D26 VanDerWaalsContact NZ-CG 3.26Å; K9-D26 IonicContact NZ-OD1 2.73Å; K9-D26 PolarHBondContact NZ-OD1 2.98Å; K9-D26 IonicContact NZ-OD2 3.23Å
10T42.7Very low52.4Low97 Ų9786.7 Ų86.760%0.59550%0.499SS*.Hα-helixtrans-71-37.4174.1460000113N6 K7 L8 G14N6-T10 WeakPolarHBondContact O-CB 3.12Å; N6-T10 WeakPolarHBondContact O-CG2 3.33Å; N6-T10 PolarHBondContact O-N 3.26Å; N6-T10 PolarHBondContact O-OG1 2.79Å; K7-T10 WeakPolarHBondContact CA-OG1 3.41Å; K7-T10 PolarHBondContact O-OG1 2.87Å; L8-T10 VanDerWaalsContact C-N 3.33Å; L8-T10 PolarHBondContact O-N 3.17Å; T10-G14 PolarHBondContact O-N 2.99Å
11K44.6Very low54Low167 Ų16782.6 Ų82.673%0.72648%0.475SS*.Hα-helixtrans-63.4-45.4172.7-84.5-172.3173.1-171.90113K7 L8 A15K7-K11 WeakPolarHBondContact O-CB 3.43Å; K7-K11 WeakPolarHBondContact O-CG 3.43Å; K7-K11 PolarHBondContact O-N 3.15Å; K7-K11 VanDerWaalsContact O-N 3.09Å; L8-K11 PolarHBondContact O-N 2.96Å; L8-K11 VanDerWaalsContact O-N 3.15Å; K11-A15 VanDerWaalsContact O-CB 3.24Å; K11-A15 WeakPolarHBondContact O-CB 3.22Å; K11-A15 PolarHBondContact O-N 3.02Å; K11-A15 VanDerWaalsContact O-N 3.14Å
12V50.3Low55.8Low37 Ų3775.2 Ų75.222%0.22444%0.441CS..Hα-helixtrans-68.3-49.4178.1177.90000110.6L8 G14 A15 L16 I27 E28L8-V12 WeakPolarHBondContact O-CG2 3.31Å; L8-V12 PolarHBondContact O-N 2.88Å; V12-G14 PolarHBondContact O-N 3.47Å; V12-A15 PolarHBondContact O-N 3.28Å; V12-L16 HydrophobicContact CG1-CD1 3.84Å; V12-L16 HydrophobicContact CG1-CG 4.41Å; V12-L16 WeakPolarHBondContact O-CG 3.14Å; V12-L16 PolarHBondContact O-N 3.22Å; V12-I27 HydrophobicContact CG1-CG2 4.37Å; V12-E28 WeakPolarHBondContact CG1-O 3.48Å
13S49.9Very low57.9Low72 Ų7278.8 Ų78.850%0.50345%0.446SS..Hα-helixtrans-66.6-22.7-179.3-167.90000113.8K9K9-S13 WeakPolarHBondContact O-CB 3.46Å; K9-S13 PolarHBondContact O-N 3.05Å
14G47.7Very low60.3Low68 Ų6878.8 Ų78.870%0.70144%0.436SS*.Hα-helixtrans-89.6-14.9175.300000114.8T10 V12T10-G14 PolarHBondContact O-N 2.99Å; V12-G14 PolarHBondContact O-N 3.47Å
15A53.4Low62.4Low79 Ų7974.6 Ų74.665%0.65341%0.41SS*.Hα-helixtrans-96.1-14.9179.200000113.7K11 V12K11-A15 VanDerWaalsContact O-CB 3.24Å; K11-A15 WeakPolarHBondContact O-CB 3.22Å; K11-A15 PolarHBondContact O-N 3.02Å; K11-A15 VanDerWaalsContact O-N 3.14Å; V12-A15 PolarHBondContact O-N 3.28Å
16L62.5Low64.5Low23 Ų2369 Ų6912%0.1239%0.387CS..SBendtrans-83.6138.7-179-70.2170.6000111.6V12 I27 Y43 I58V12-L16 HydrophobicContact CG1-CD1 3.84Å; V12-L16 HydrophobicContact CG1-CG 4.41Å; V12-L16 WeakPolarHBondContact O-CG 3.14Å; V12-L16 PolarHBondContact O-N 3.22Å; L16-I27 HydrophobicContact CD1-CB 4.08Å; L16-I27 HydrophobicContact CD1-CD1 3.7Å; L16-I27 HydrophobicContact CD1-CG1 4.48Å; L16-I27 HydrophobicContact CD1-CG2 3.72Å; L16-Y43 HydrophobicContact CD2-CE1 4.08Å; L16-Y43 HydrophobicContact CD2-CE2 3.93Å; L16-I58 HydrophobicContact CD1-CD1 4.49Å; L16-I58 HydrophobicContact CD2-CD1 3.96Å
17P62.8Low66.6Low15 Ų1565 Ų6510%0.09737%0.365CS..  trans-61.3147.1-179.926.3-35.7000111.6N19 I58 E60 E106P17-N19 PolarHBondContact O-N 3.47Å; P17-I58 HydrophobicContact CG-CG2 4.05Å; P17-E60 HydrophobicContact CG-CG 3.92Å; P17-E106 HydrophobicContact CB-CB 3.82Å
18G69.1Low68.8Low54 Ų5462.5 Ų62.556%0.55736%0.356SS*.  trans-71.260.7-170.300000115.7E106G18-E106 PolarHBondContact N-OE2 3.4Å
19N85.4Confident70.9Confident1 Ų164.3 Ų64.31%0.00536%0.36CS..  trans-79139.4174.8-160.5-74.9000111P17 L21 T22 E102 S107 A109P17-N19 PolarHBondContact O-N 3.47Å; N19-L21 PolarHBondContact O-N 2.83Å; N19-L21 VanDerWaalsContact OD1-CB 3.28Å; N19-L21 WeakPolarHBondContact OD1-CB 3.4Å; N19-L21 PolarHBondContact OD1-N 3.06Å; N19-T22 HydrophobicContact CB-CG2 4.19Å; N19-T22 PolarHBondContact O-N 2.92Å; N19-T22 VanDerWaalsContact O-N 3.1Å; N19-T22 PolarHBondContact O-OG1 3.17Å; N19-E102 PolarHBondContact ND2-O 3.29Å; N19-S107 WeakPolarHBondContact CB-OG 3.32Å; N19-S107 PolarHBondContact ND2-OG 3.17Å; N19-A109 HydrophobicContact CB-CB 4.29Å; N19-A109 PolarHBondContact ND2-N 3.1Å
20P84.9Confident73Confident58 Ų5862.9 Ų62.938%0.37735%0.354SS..THydrogen-bonded Turntrans-58.7-33.4179.5-18.430.2000112.7T22 R23 E102P20-T22 VanDerWaalsContact C-N 3.26Å; P20-T22 PolarHBondContact O-N 3.13Å; P20-R23 WeakPolarHBondContact O-CB 3.39Å; P20-R23 WeakPolarHBondContact O-CG 3.46Å; P20-R23 PolarHBondContact O-N 3Å; P20-E102 WeakPolarHBondContact CB-OE2 3.4Å
21L86.3Confident75.3Confident0 Ų059.5 Ų59.50%033%0.332CS..Hα-helixtrans-55.1-34.1175.6-167.970.9000113.6N19 R23 E24 Y25 I56 Q99 E102 A109N19-L21 PolarHBondContact O-N 2.83Å; N19-L21 VanDerWaalsContact OD1-CB 3.28Å; N19-L21 WeakPolarHBondContact OD1-CB 3.4Å; N19-L21 PolarHBondContact OD1-N 3.06Å; L21-R23 PolarHBondContact O-N 3.28Å; L21-E24 PolarHBondContact O-N 3.09Å; L21-E24 VanDerWaalsContact O-N 3.12Å; L21-Y25 HydrophobicContact CD1-CD2 4.24Å; L21-Y25 HydrophobicContact CD1-CE2 3.76Å; L21-Y25 HydrophobicContact CG-CD2 4.33Å; L21-Y25 HydrophobicContact CG-CE2 4.31Å; L21-Y25 WeakPolarHBondContact O-CD2 3.22Å; L21-I56 HydrophobicContact CD2-CD1 4.12Å; L21-I56 HydrophobicContact CD2-CG2 3.95Å; L21-I56 HydrophobicContact CG-CD1 4.4Å; L21-Q99 HydrophobicContact CD1-CB 4.08Å; L21-Q99 HydrophobicContact CD1-CG 3.61Å; L21-Q99 VanDerWaalsContact CD1-NE2 3.34Å; L21-E102 WeakPolarHBondContact CA-OE2 2.91Å; L21-E102 HydrophobicContact CB-CB 4.43Å; L21-E102 PolarHBondContact N-OE2 3.25Å; L21-A109 HydrophobicContact CB-CB 4.44Å; L21-A109 HydrophobicContact CD2-CB 3.74Å
22T83Confident77.4Confident27 Ų2752.1 Ų52.117%0.16630%0.303CS..Hα-helixtrans-69.9-12.4179.170.70000112.9N19 P20 Y25 I27N19-T22 HydrophobicContact CB-CG2 4.19Å; N19-T22 PolarHBondContact O-N 2.92Å; N19-T22 VanDerWaalsContact O-N 3.1Å; N19-T22 PolarHBondContact O-OG1 3.17Å; P20-T22 VanDerWaalsContact C-N 3.26Å; P20-T22 PolarHBondContact O-N 3.13Å; T22-Y25 VanDerWaalsContact O-O 3.07Å; T22-I27 HydrophobicContact CG2-CD1 3.64Å
23R84Confident79.3Confident191 Ų19154.2 Ų54.272%0.72131%0.311SS*.Hα-helixtrans-76.7-30.6172.7-55.5177.3178.3-177.2-1.7111.9P20 L21 R48P20-R23 WeakPolarHBondContact O-CB 3.39Å; P20-R23 WeakPolarHBondContact O-CG 3.46Å; P20-R23 PolarHBondContact O-N 3Å; L21-R23 PolarHBondContact O-N 3.28Å; R23-R48 WeakPolarHBondContact O-CD 2.94Å; R23-R48 PolarHBondContact O-NE 2.71Å
24E87.9Confident81.2Confident82 Ų8250.8 Ų50.838%0.38329%0.287SS..Hα-helixtrans-85.3-17.6-178.1-68.3-165.2-166.800114.3L21 K47 R48 Q99L21-E24 PolarHBondContact O-N 3.09Å; L21-E24 VanDerWaalsContact O-N 3.12Å; E24-K47 IonicContact OE2-NZ 3.57Å; E24-K47 PolarHBondContact OE2-NZ 3.33Å; E24-R48 WeakPolarHBondContact O-CB 3.48Å; E24-R48 WeakPolarHBondContact O-CG 3.15Å; E24-R48 PolarHBondContact O-N 2.93Å; E24-Q99 PolarHBondContact OE2-NE2 3.01Å; E24-Q99 PolarHBondContact OE2-OE1 3.21Å
25Y91.5Very high83Confident7 Ų747.7 Ų47.73%0.02725%0.254CS..EExtended strand (participates in β ladder)trans-121.4142.8-176.9-63-102.1000111.5L21 T22 A45 R46 K47 R48 A54 I56 Q99 A111L21-Y25 HydrophobicContact CD1-CD2 4.24Å; L21-Y25 HydrophobicContact CD1-CE2 3.76Å; L21-Y25 HydrophobicContact CG-CD2 4.33Å; L21-Y25 HydrophobicContact CG-CE2 4.31Å; L21-Y25 WeakPolarHBondContact O-CD2 3.22Å; T22-Y25 VanDerWaalsContact O-O 3.07Å; Y25-A45 HydrophobicContact CD1-CB 4.41Å; Y25-R46 WeakPolarHBondContact CA-O 3.16Å; Y25-K47 HydrophobicContact CD1-CB 3.82Å; Y25-K47 HydrophobicContact CD1-CG 4.33Å; Y25-K47 HydrophobicContact CE1-CB 3.59Å; Y25-K47 HydrophobicContact CE1-CD 4.17Å; Y25-K47 HydrophobicContact CE1-CG 3.95Å; Y25-R48 PolarHBondContact O-NH2 3.03Å; Y25-A54 HydrophobicContact CD1-CB 4.27Å; Y25-A54 HydrophobicContact CE1-CB 3.85Å; Y25-I56 HydrophobicContact CD1-CD1 3.9Å; Y25-I56 HydrophobicContact CD2-CD1 3.83Å; Y25-I56 HydrophobicContact CE1-CD1 4.16Å; Y25-I56 HydrophobicContact CE2-CD1 4.12Å; Y25-I56 HydrophobicContact CG-CD1 3.75Å; Y25-I56 HydrophobicContact CG-CG1 4.36Å; Y25-Q99 VanDerWaalsContact CE2-OE1 3.32Å; Y25-Q99 PolarHBondContact OH-OE1 3.35Å; Y25-A111 HydrophobicContact CE1-CB 4.37Å; Y25-A111 HydrophobicContact CE2-CB 4.32Å
26D90.8Very high84.4Confident30 Ų3044.3 Ų44.316%0.1623%0.225CC..EExtended strand (participates in β ladder)trans-80.6111.5159.1-82.5-60.5000108.2K9 A45 R46 R48K9-D26 WeakPolarHBondContact CE-OD1 3.32Å; K9-D26 VanDerWaalsContact NZ-CG 3.26Å; K9-D26 IonicContact NZ-OD1 2.73Å; K9-D26 PolarHBondContact NZ-OD1 2.98Å; K9-D26 IonicContact NZ-OD2 3.23Å; D26-A45 CarbonylContact O-C 3.53Å; D26-A45 WeakPolarHBondContact O-CA 3.01Å; D26-A45 WeakPolarHBondContact O-CB 3.21Å; D26-R46 PolarHBondContact N-O 3.05Å; D26-R46 PolarHBondContact O-N 2.99Å; D26-R48 IonicContact OD1-CZ 3.79Å; D26-R48 IonicContact OD1-NH1 2.65Å; D26-R48 PolarHBondContact OD1-NH1 3.11Å; D26-R48 IonicContact OD1-NH2 2.78Å; D26-R48 PolarHBondContact OD1-NH2 2.86Å; D26-R48 IonicContact OD2-NH1 3.7Å; D26-R48 PolarHBondContact OD2-NH1 3.47Å
27I89.8Confident85.2Confident15 Ų1545.3 Ų45.38%0.07724%0.241CC..EExtended strand (participates in β ladder)trans-89.3134.2179.5-56.9176.4000109.3V12 L16 T22 Y43 A45 I58V12-I27 HydrophobicContact CG1-CG2 4.37Å; L16-I27 HydrophobicContact CD1-CB 4.08Å; L16-I27 HydrophobicContact CD1-CD1 3.7Å; L16-I27 HydrophobicContact CD1-CG1 4.48Å; L16-I27 HydrophobicContact CD1-CG2 3.72Å; T22-I27 HydrophobicContact CG2-CD1 3.64Å; I27-Y43 HydrophobicContact CG2-CD1 4.07Å; I27-Y43 HydrophobicContact CG2-CG 3.98Å; I27-A45 HydrophobicContact CG1-CB 4.31Å; I27-I58 HydrophobicContact CD1-CD1 4.41Å
28E87.5Confident86.2Confident93 Ų9345.8 Ų45.844%0.43525%0.245SC..EExtended strand (participates in β ladder)trans-105.8-112.5-173.6-56.7176.715800110.9V12 S44V12-E28 WeakPolarHBondContact CG1-O 3.48Å; E28-S44 WeakPolarHBondContact CB-O 3.19Å; E28-S44 PolarHBondContact N-O 3Å; E28-S44 WeakPolarHBondContact OE2-CB 3.38Å; E28-S44 PolarHBondContact OE2-OG 3.46Å
29K89.1Confident87.2Confident142 Ų14244.2 Ų44.262%0.61722%0.223SC*.EExtended strand (participates in β ladder)trans-101.7153-179.163.8176-180175.70112.4I31 Y43 S44K29-I31 HydrophobicContact CG-CG2 4.21Å; K29-Y43 WeakPolarHBondContact O-CA 3.49Å; K29-S44 PolarHBondContact O-N 3.04Å
30Q90.2Very high87.5Confident62 Ų6244.1 Ų44.129%0.2922%0.223SC..EExtended strand (participates in β ladder)trans-68.4136.1165.6-163.5-178.5-18.900109.3G32 L42 Y43Q30-G32 PolarHBondContact NE2-O 3.45Å; Q30-L42 CarbonylContact C-O 3.54Å; Q30-L42 WeakPolarHBondContact CA-O 3.43Å; Q30-L42 VanDerWaalsContact CG-O 3.26Å; Q30-L42 WeakPolarHBondContact CG-O 3.35Å; Q30-Y43 HydrophobicContact CB-CD1 3.89Å; Q30-Y43 HydrophobicContact CB-CE1 3.66Å; Q30-Y43 HydrophobicContact CG-CD1 4.29Å; Q30-Y43 HydrophobicContact CG-CE1 3.95Å
31I90.2Very high87.8Confident27 Ų2743 Ų4314%0.13821%0.212CC..EExtended strand (participates in β ladder)trans-116.4-9.5-177.264.2170.4000113.5K29 L42 T55 L115 F116 T117K29-I31 HydrophobicContact CG-CG2 4.21Å; I31-L42 HydrophobicContact CD1-CB 4.23Å; I31-L42 HydrophobicContact CG1-CB 3.59Å; I31-L42 PolarHBondContact N-O 3.18Å; I31-T55 HydrophobicContact CD1-CG2 3.89Å; I31-L115 HydrophobicContact CD1-CB 4.09Å; I31-L115 WeakPolarHBondContact CD1-O 3.14Å; I31-F116 WeakPolarHBondContact CB-O 3.37Å; I31-T117 WeakPolarHBondContact O-CB 3.49Å; I31-T117 PolarHBondContact O-OG1 3.15Å
32G88.6Confident88.2Confident11 Ų1143 Ų4311%0.11321%0.212CC..EExtended strand (participates in β ladder)trans169-172.117600000114Q30 L42 S121Q30-G32 PolarHBondContact NE2-O 3.45Å; G32-L42 PolarHBondContact O-N 3.1Å; G32-S121 VanDerWaalsContact CA-OG 3.24Å; G32-S121 WeakPolarHBondContact CA-OG 3.27Å
33Q90.4Very high88.7Confident82 Ų8242.5 Ų42.538%0.38321%0.207SC..EExtended strand (participates in β ladder)trans-135.6145.7170.4-66.5178.8-47.100110.1W40 K41 S118 S121Q33-W40 CarbonylContact C-O 3.51Å; Q33-W40 VanDerWaalsContact CA-O 3.31Å; Q33-W40 WeakPolarHBondContact CA-O 3.48Å; Q33-K41 HydrophobicContact CG-CG 4.49Å; Q33-S118 WeakPolarHBondContact O-CB 3.41Å; Q33-S118 PolarHBondContact O-OG 3.32Å; Q33-S121 PolarHBondContact N-OG 2.92Å; Q33-S121 PolarHBondContact O-OG 3.42Å
34T90.9Very high89.1Confident0 Ų034.9 Ų34.90%018%0.183CC..EExtended strand (participates in β ladder)trans-161.9175-167-144.90000112.5S38 W40 L42 W57 S118 E174 V177T34-S38 CarbonylContact O-C 3.55Å; T34-W40 HydrophobicContact CG2-CB 3.99Å; T34-W40 PolarHBondContact N-O 2.96Å; T34-W40 WeakPolarHBondContact O-CB 3.44Å; T34-W40 PolarHBondContact O-N 3.04Å; T34-L42 HydrophobicContact CG2-CD1 3.95Å; T34-L42 HydrophobicContact CG2-CD2 3.76Å; T34-L42 HydrophobicContact CG2-CG 3.93Å; T34-W57 HydrophobicContact CG2-CE3 3.69Å; T34-W57 HydrophobicContact CG2-CH2 3.53Å; T34-W57 HydrophobicContact CG2-CZ2 4.38Å; T34-W57 HydrophobicContact CG2-CZ3 3.13Å; T34-S118 WeakPolarHBondContact OG1-CB 3.34Å; T34-E174 PolarHBondContact OG1-O 2.72Å; T34-V177 HydrophobicContact CG2-CG1 4.48Å
35G84.2Confident89.4Confident2 Ų231 Ų312%0.02117%0.165CC..SBendtrans63.1-174.1-175.100000113.1G37 S38 E174G35-G37 PolarHBondContact O-N 3.33Å; G35-G37 VanDerWaalsContact O-N 3.09Å; G35-S38 WeakPolarHBondContact O-CA 3.35Å; G35-S38 PolarHBondContact O-N 3.37Å; G35-E174 PolarHBondContact N-O 3.38Å; G35-E174 WeakPolarHBondContact O-CB 3.4Å; G35-E174 VanDerWaalsContact O-CD 3.22Å; G35-E174 VanDerWaalsContact O-OE2 3.11Å
36L84.3Confident89.6Confident9 Ų934.8 Ų34.85%0.04718%0.18CC..G310 helixtrans-46.3113.5-170.3-61.8175.2000113.2S38 L39 M75 V78 L79 N170 E190 F191L36-S38 PolarHBondContact O-N 2.97Å; L36-L39 WeakPolarHBondContact O-CB 3.27Å; L36-L39 WeakPolarHBondContact O-CD1 3.36Å; L36-L39 WeakPolarHBondContact O-CG 3.4Å; L36-L39 PolarHBondContact O-N 3.16Å; L36-M75 HydrophobicContact CD1-SD 4.44Å; L36-V78 HydrophobicContact CD1-CG1 3.81Å; L36-L79 HydrophobicContact CD1-CD2 4.36Å; L36-N170 WeakPolarHBondContact CD2-ND2 3.5Å; L36-E190 HydrophobicContact CD1-CB 3.76Å; L36-E190 HydrophobicContact CD1-CG 3.69Å; L36-E190 HydrophobicContact CG-CB 4.35Å; L36-E190 HydrophobicContact CG-CG 4.08Å; L36-F191 HydrophobicContact CD1-CE2 4.46Å; L36-F191 HydrophobicContact CD1-CZ 4.12Å; L36-F191 HydrophobicContact CD2-CD2 4.34Å; L36-F191 HydrophobicContact CD2-CE2 3.45Å; L36-F191 VanDerWaalsContact CD2-CE2 3.45Å; L36-F191 HydrophobicContact CD2-CZ 3.85Å
37G78.9Confident89.7Confident43 Ų4335.4 Ų35.444%0.44318%0.181SC..G310 helixtrans63.526.4176.900000113.5G35 L39 E174G35-G37 PolarHBondContact O-N 3.33Å; G35-G37 VanDerWaalsContact O-N 3.09Å; G37-L39 PolarHBondContact O-N 3.38Å; G37-L39 VanDerWaalsContact O-N 3.16Å; G37-E174 PolarHBondContact N-OE2 3.19Å; G37-E174 VanDerWaalsContact N-OE2 3.1Å
38S84.4Confident89.8Confident25 Ų2539.7 Ų39.718%0.17520%0.196CC..G310 helixtrans55.527.4-176.9-72.10000114.5T34 G35 L36 W40 N120 E174T34-S38 CarbonylContact O-C 3.55Å; G35-S38 WeakPolarHBondContact O-CA 3.35Å; G35-S38 PolarHBondContact O-N 3.37Å; L36-S38 PolarHBondContact O-N 2.97Å; S38-W40 PolarHBondContact O-N 3.36Å; S38-N120 PolarHBondContact OG-ND2 3.33Å; S38-E174 WeakPolarHBondContact CB-OE1 3.48Å; S38-E174 PolarHBondContact N-OE1 3.17Å; S38-E174 PolarHBondContact OG-OE1 2.7Å
39L88.1Confident89.9Confident21 Ų2139.9 Ų39.911%0.1121%0.207CC..  trans-66.1-31.5-178.4-72.4172.1000113.8L36 G37 K41 V59 L63 L64 M75L36-L39 WeakPolarHBondContact O-CB 3.27Å; L36-L39 WeakPolarHBondContact O-CD1 3.36Å; L36-L39 WeakPolarHBondContact O-CG 3.4Å; L36-L39 PolarHBondContact O-N 3.16Å; G37-L39 PolarHBondContact O-N 3.38Å; G37-L39 VanDerWaalsContact O-N 3.16Å; L39-K41 PolarHBondContact O-N 2.82Å; L39-V59 HydrophobicContact CB-CG2 4.26Å; L39-L63 HydrophobicContact CD2-CB 4.37Å; L39-L64 HydrophobicContact CD1-CD2 3.92Å; L39-L64 HydrophobicContact CD2-CD2 3.95Å; L39-M75 HydrophobicContact CD1-SD 4.3Å
40W91.7Very high90.1Very high0 Ų037 Ų370%020%0.202CC..EExtended strand (participates in β ladder)trans-81112.2177.7-64.398.3000110.4Q33 T34 S38 W57 V59 L79 V83 L101 L108 Y110Q33-W40 CarbonylContact C-O 3.51Å; Q33-W40 VanDerWaalsContact CA-O 3.31Å; Q33-W40 WeakPolarHBondContact CA-O 3.48Å; T34-W40 HydrophobicContact CG2-CB 3.99Å; T34-W40 PolarHBondContact N-O 2.96Å; T34-W40 WeakPolarHBondContact O-CB 3.44Å; T34-W40 PolarHBondContact O-N 3.04Å; S38-W40 PolarHBondContact O-N 3.36Å; W40-W57 HydrophobicContact CB-CE3 3.79Å; W40-W57 HydrophobicContact CB-CZ3 4.38Å; W40-W57 HydrophobicContact CD2-CB 4.42Å; W40-W57 HydrophobicContact CD2-CE3 4.05Å; W40-W57 HydrophobicContact CE3-CB 3.66Å; W40-W57 HydrophobicContact CE3-CE3 4.42Å; W40-W57 AromaticContact CG-CE3 3.79Å; W40-W57 HydrophobicContact CG-CE3 3.79Å; W40-W57 HydrophobicContact CG-CZ3 4.34Å; W40-W57 HydrophobicContact CZ3-CB 4.18Å; W40-V59 HydrophobicContact CD2-CG2 3.49Å; W40-V59 VanDerWaalsContact CD2-CG2 3.49Å; W40-V59 HydrophobicContact CE3-CB 4.46Å; W40-V59 HydrophobicContact CE3-CG2 3.5Å; W40-V59 HydrophobicContact CG-CG2 3.97Å; W40-V59 HydrophobicContact CH2-CG2 4.13Å; W40-V59 HydrophobicContact CZ2-CG2 4.16Å; W40-V59 HydrophobicContact CZ3-CB 4.48Å; W40-V59 HydrophobicContact CZ3-CG2 3.81Å; W40-L79 HydrophobicContact CZ2-CB 4.18Å; W40-L79 HydrophobicContact CZ2-CD2 4.13Å; W40-V83 HydrophobicContact CH2-CG2 4.23Å; W40-V83 HydrophobicContact CZ2-CG2 4.01Å; W40-L101 HydrophobicContact CH2-CD1 3.97Å; W40-L108 HydrophobicContact CH2-CB 4.23Å; W40-L108 HydrophobicContact CZ3-CB 4.44Å; W40-Y110 HydrophobicContact CD2-CE1 4.12Å; W40-Y110 HydrophobicContact CE3-CD1 4.18Å; W40-Y110 AromaticContact CE3-CE1 3.77Å; W40-Y110 HydrophobicContact CE3-CE1 3.77Å; W40-Y110 AromaticContact CH2-CD1 3.7Å; W40-Y110 HydrophobicContact CH2-CD1 3.7Å; W40-Y110 AromaticContact CH2-CE1 3.6Å; W40-Y110 HydrophobicContact CH2-CE1 3.6Å; W40-Y110 HydrophobicContact CZ2-CD1 4.44Å; W40-Y110 AromaticContact CZ2-CE1 3.91Å; W40-Y110 HydrophobicContact CZ2-CE1 3.91Å; W40-Y110 AromaticContact CZ3-CD1 3.55Å; W40-Y110 HydrophobicContact CZ3-CD1 3.55Å; W40-Y110 AromaticContact CZ3-CE1 3.53Å; W40-Y110 HydrophobicContact CZ3-CE1 3.53Å
41K92.6Very high90.1Very high33 Ų3339.7 Ų39.714%0.14321%0.214CC..EExtended strand (participates in β ladder)trans-80.5130.1167-59-177.5-166.9175.50109.1Q33 L39 Y43 I58 E60Q33-K41 HydrophobicContact CG-CG 4.49Å; L39-K41 PolarHBondContact O-N 2.82Å; K41-Y43 HydrophobicContact CB-CD2 4.35Å; K41-Y43 HydrophobicContact CB-CE2 3.51Å; K41-Y43 HydrophobicContact CD-CE2 4.46Å; K41-Y43 WeakPolarHBondContact CD-OH 3.45Å; K41-I58 PolarHBondContact N-O 2.95Å; K41-I58 PolarHBondContact O-N 3.32Å; K41-E60 IonicContact NZ-OE1 2.92Å; K41-E60 PolarHBondContact NZ-OE1 3.01Å; K41-E60 IonicContact NZ-OE2 2.7Å; K41-E60 PolarHBondContact NZ-OE2 3.44Å
42L94.1Very high90.2Very high0 Ų042.1 Ų42.10%023%0.225CC..EExtended strand (participates in β ladder)trans-98.8127.7179.1-60.1-179000110.3Q30 I31 G32 T34 T55 W57 V177Q30-L42 CarbonylContact C-O 3.54Å; Q30-L42 WeakPolarHBondContact CA-O 3.43Å; Q30-L42 VanDerWaalsContact CG-O 3.26Å; Q30-L42 WeakPolarHBondContact CG-O 3.35Å; I31-L42 HydrophobicContact CD1-CB 4.23Å; I31-L42 HydrophobicContact CG1-CB 3.59Å; I31-L42 PolarHBondContact N-O 3.18Å; G32-L42 PolarHBondContact O-N 3.1Å; T34-L42 HydrophobicContact CG2-CD1 3.95Å; T34-L42 HydrophobicContact CG2-CD2 3.76Å; T34-L42 HydrophobicContact CG2-CG 3.93Å; L42-T55 HydrophobicContact CB-CG2 4.2Å; L42-T55 HydrophobicContact CD2-CG2 4.22Å; L42-W57 HydrophobicContact CD2-CB 4.42Å; L42-W57 HydrophobicContact CD2-CD2 3.26Å; L42-W57 HydrophobicContact CD2-CE3 3.71Å; L42-W57 HydrophobicContact CD2-CG 3.61Å; L42-W57 HydrophobicContact CD2-CH2 4.3Å; L42-W57 HydrophobicContact CD2-CZ2 3.9Å; L42-W57 HydrophobicContact CD2-CZ3 4.22Å; L42-V177 HydrophobicContact CD1-CG1 4.43Å
43Y93.3Very high90.4Very high18 Ų1845.1 Ų45.17%0.07124%0.236CC..EExtended strand (participates in β ladder)trans-122.7134.3176-62.7-92.4000111.7L16 I27 K29 Q30 K41 T55 I56 I58L16-Y43 HydrophobicContact CD2-CE1 4.08Å; L16-Y43 HydrophobicContact CD2-CE2 3.93Å; I27-Y43 HydrophobicContact CG2-CD1 4.07Å; I27-Y43 HydrophobicContact CG2-CG 3.98Å; K29-Y43 WeakPolarHBondContact O-CA 3.49Å; Q30-Y43 HydrophobicContact CB-CD1 3.89Å; Q30-Y43 HydrophobicContact CB-CE1 3.66Å; Q30-Y43 HydrophobicContact CG-CD1 4.29Å; Q30-Y43 HydrophobicContact CG-CE1 3.95Å; K41-Y43 HydrophobicContact CB-CD2 4.35Å; K41-Y43 HydrophobicContact CB-CE2 3.51Å; K41-Y43 HydrophobicContact CD-CE2 4.46Å; K41-Y43 WeakPolarHBondContact CD-OH 3.45Å; Y43-T55 WeakPolarHBondContact O-CA 3.28Å; Y43-I56 PolarHBondContact N-O 3.19Å; Y43-I56 PolarHBondContact O-N 3.37Å; Y43-I58 HydrophobicContact CD2-CD1 3.86Å; Y43-I58 HydrophobicContact CD2-CG1 4.15Å; Y43-I58 HydrophobicContact CE2-CB 4.31Å; Y43-I58 HydrophobicContact CE2-CD1 3.99Å; Y43-I58 HydrophobicContact CE2-CG1 4.32Å
44S93.6Very high90.6Very high30 Ų3041.4 Ų41.421%0.2122%0.219CC..EExtended strand (participates in β ladder)trans-63.4137.4164.1-174.90000108.9E28 K29E28-S44 WeakPolarHBondContact CB-O 3.19Å; E28-S44 PolarHBondContact N-O 3Å; E28-S44 WeakPolarHBondContact OE2-CB 3.38Å; E28-S44 PolarHBondContact OE2-OG 3.46Å; K29-S44 PolarHBondContact O-N 3.04Å
45A93.9Very high90.8Very high1 Ų141.4 Ų41.41%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-153163.5179.500000112.2Y25 D26 I27 A54 I56Y25-A45 HydrophobicContact CD1-CB 4.41Å; D26-A45 CarbonylContact O-C 3.53Å; D26-A45 WeakPolarHBondContact O-CA 3.01Å; D26-A45 WeakPolarHBondContact O-CB 3.21Å; I27-A45 HydrophobicContact CG1-CB 4.31Å; A45-A54 PolarHBondContact N-O 2.96Å; A45-A54 PolarHBondContact O-N 3.31Å; A45-I56 HydrophobicContact CB-CD1 4.44Å; A45-I56 HydrophobicContact CB-CG1 3.56Å
46R94.2Very high91.3Very high87 Ų8741.4 Ų41.433%0.32822%0.219SC..EExtended strand (participates in β ladder)trans-133.4127.2177-169.4173.3-87.5-119.912.1110Y25 D26 R48 H51 Q52 E53Y25-R46 WeakPolarHBondContact CA-O 3.16Å; D26-R46 PolarHBondContact N-O 3.05Å; D26-R46 PolarHBondContact O-N 2.99Å; R46-R48 PolarHBondContact O-N 3Å; R46-H51 VanDerWaalsContact CD-O 3.28Å; R46-H51 WeakPolarHBondContact CD-O 3.31Å; R46-H51 HydrophobicContact CG-CB 4.34Å; R46-H51 WeakPolarHBondContact CG-O 3.37Å; R46-H51 PolarHBondContact NE-O 3.38Å; R46-H51 PolarHBondContact NH1-O 3.4Å; R46-Q52 CarbonylContact C-O 3.54Å; R46-Q52 WeakPolarHBondContact CA-O 3.42Å; R46-E53 IonicContact CZ-OE1 2.8Å; R46-E53 IonicContact NH2-OE1 3.72Å; R46-E53 PolarHBondContact NH2-OE1 2.86Å
47K93.4Very high91.8Very high43 Ų4341.2 Ų41.219%0.18722%0.218CC..EExtended strand (participates in β ladder)trans-64.8127.7-178.3-169.7163.1-171.6142.40109.8E24 Y25 S49 H51 Q52 Q99E24-K47 IonicContact OE2-NZ 3.57Å; E24-K47 PolarHBondContact OE2-NZ 3.33Å; Y25-K47 HydrophobicContact CD1-CB 3.82Å; Y25-K47 HydrophobicContact CD1-CG 4.33Å; Y25-K47 HydrophobicContact CE1-CB 3.59Å; Y25-K47 HydrophobicContact CE1-CD 4.17Å; Y25-K47 HydrophobicContact CE1-CG 3.95Å; K47-S49 VanDerWaalsContact C-N 3.31Å; K47-S49 PolarHBondContact O-N 3.44Å; K47-H51 WeakPolarHBondContact O-CA 3.44Å; K47-H51 PolarHBondContact O-N 2.92Å; K47-Q52 PolarHBondContact N-O 3.2Å; K47-Q99 VanDerWaalsContact NZ-OE1 3.13Å
48R91.7Very high92.5Very high104 Ų10439.2 Ų39.239%0.39220%0.197SC..THydrogen-bonded Turntrans-61.6-35.9-173-68.9-178.4-168.1-73.6-11.6113.5R23 E24 Y25 D26 R46R23-R48 WeakPolarHBondContact O-CD 2.94Å; R23-R48 PolarHBondContact O-NE 2.71Å; E24-R48 WeakPolarHBondContact O-CB 3.48Å; E24-R48 WeakPolarHBondContact O-CG 3.15Å; E24-R48 PolarHBondContact O-N 2.93Å; Y25-R48 PolarHBondContact O-NH2 3.03Å; D26-R48 IonicContact OD1-CZ 3.79Å; D26-R48 IonicContact OD1-NH1 2.65Å; D26-R48 PolarHBondContact OD1-NH1 3.11Å; D26-R48 IonicContact OD1-NH2 2.78Å; D26-R48 PolarHBondContact OD1-NH2 2.86Å; D26-R48 IonicContact OD2-NH1 3.7Å; D26-R48 PolarHBondContact OD2-NH1 3.47Å; R46-R48 PolarHBondContact O-N 3Å
49S90.8Very high92.9Very high97 Ų9738 Ų3868%0.67819%0.188SC*.THydrogen-bonded Turntrans-82.2-32-174.653.50000114.4K47K47-S49 VanDerWaalsContact C-N 3.31Å; K47-S49 PolarHBondContact O-N 3.44Å
50T92Very high93Very high83 Ų8338.7 Ų38.751%0.50919%0.191SC..THydrogen-bonded Turntrans-113.2-6.9-175.759.10000113.6Q52T50-Q52 PolarHBondContact O-N 3.22Å; T50-Q52 VanDerWaalsContact O-N 3.07Å; T50-Q52 VanDerWaalsContact OG1-CB 3.27Å; T50-Q52 WeakPolarHBondContact OG1-CB 3.44Å; T50-Q52 PolarHBondContact OG1-N 3.15Å
51H90.4Very high92.8Very high117 Ų11740.1 Ų40.154%0.54220%0.197SC..  trans50.423.3-166.3-67.1-60.3000114.5R46 K47R46-H51 VanDerWaalsContact CD-O 3.28Å; R46-H51 WeakPolarHBondContact CD-O 3.31Å; R46-H51 HydrophobicContact CG-CB 4.34Å; R46-H51 WeakPolarHBondContact CG-O 3.37Å; R46-H51 PolarHBondContact NE-O 3.38Å; R46-H51 PolarHBondContact NH1-O 3.4Å; K47-H51 WeakPolarHBondContact O-CA 3.44Å; K47-H51 PolarHBondContact O-N 2.92Å
52Q92.6Very high92.5Very high79 Ų7944.4 Ų44.437%0.36922%0.216SC..  trans-76.1134.1178-174.3177.7800111.2R46 K47 T50R46-Q52 CarbonylContact C-O 3.54Å; R46-Q52 WeakPolarHBondContact CA-O 3.42Å; K47-Q52 PolarHBondContact N-O 3.2Å; T50-Q52 PolarHBondContact O-N 3.22Å; T50-Q52 VanDerWaalsContact O-N 3.07Å; T50-Q52 VanDerWaalsContact OG1-CB 3.27Å; T50-Q52 WeakPolarHBondContact OG1-CB 3.44Å; T50-Q52 PolarHBondContact OG1-N 3.15Å
53E93.1Very high91.9Very high74 Ų7448.1 Ų48.135%0.34624%0.235SC..EExtended strand (participates in β ladder)trans-72.9139.3176-63.3-179.5172.300111.6R46 P114 R180R46-E53 IonicContact CZ-OE1 2.8Å; R46-E53 IonicContact NH2-OE1 3.72Å; R46-E53 PolarHBondContact NH2-OE1 2.86Å; E53-P114 HydrophobicContact CB-CB 4.07Å; E53-P114 HydrophobicContact CB-CG 4.37Å; E53-R180 IonicContact OE2-CZ 2.77Å; E53-R180 IonicContact OE2-NH1 3.67Å; E53-R180 PolarHBondContact OE2-NH1 3.3Å
54A94.6Very high91.3Very high3 Ų347.3 Ų47.33%0.02523%0.232CC..EExtended strand (participates in β ladder)trans-149.5168.3-178.700000110.3Y25 A45 L98 T112Y25-A54 HydrophobicContact CD1-CB 4.27Å; Y25-A54 HydrophobicContact CE1-CB 3.85Å; A45-A54 PolarHBondContact N-O 2.96Å; A45-A54 PolarHBondContact O-N 3.31Å; A54-L98 HydrophobicContact CB-CD1 4.05Å; A54-T112 WeakPolarHBondContact CA-O 3.11Å; A54-T112 WeakPolarHBondContact CB-O 3.25Å
55T95.6Very high90.6Very high1 Ų151.5 Ų51.51%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-115.8125165.9-66.60000110.1I31 L42 Y43 T112 L115I31-T55 HydrophobicContact CD1-CG2 3.89Å; L42-T55 HydrophobicContact CB-CG2 4.2Å; L42-T55 HydrophobicContact CD2-CG2 4.22Å; Y43-T55 WeakPolarHBondContact O-CA 3.28Å; T55-T112 PolarHBondContact N-O 3.07Å; T55-T112 PolarHBondContact O-N 3.04Å; T55-T112 PolarHBondContact O-OG1 3.17Å; T55-L115 HydrophobicContact CG2-CB 4.2Å; T55-L115 HydrophobicContact CG2-CD1 4.13Å; T55-L115 HydrophobicContact CG2-CG 4.36Å; T55-L115 WeakPolarHBondContact OG1-CB 3.33Å; T55-L115 PolarHBondContact OG1-N 3.16Å
56I94.9Very high89.8Confident1 Ų155.8 Ų55.81%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-92.8128.2174.6-53.3-61000108.7L21 Y25 Y43 A45 I58 Y110 A111L21-I56 HydrophobicContact CD2-CD1 4.12Å; L21-I56 HydrophobicContact CD2-CG2 3.95Å; L21-I56 HydrophobicContact CG-CD1 4.4Å; Y25-I56 HydrophobicContact CD1-CD1 3.9Å; Y25-I56 HydrophobicContact CD2-CD1 3.83Å; Y25-I56 HydrophobicContact CE1-CD1 4.16Å; Y25-I56 HydrophobicContact CE2-CD1 4.12Å; Y25-I56 HydrophobicContact CG-CD1 3.75Å; Y25-I56 HydrophobicContact CG-CG1 4.36Å; Y43-I56 PolarHBondContact N-O 3.19Å; Y43-I56 PolarHBondContact O-N 3.37Å; A45-I56 HydrophobicContact CB-CD1 4.44Å; A45-I56 HydrophobicContact CB-CG1 3.56Å; I56-I58 HydrophobicContact CG2-CD1 4.02Å; I56-I58 HydrophobicContact CG2-CG1 3.73Å; I56-Y110 WeakPolarHBondContact CA-O 3.46Å; I56-A111 HydrophobicContact CD1-CB 3.54Å
57W94.9Very high88.8Confident6 Ų655.6 Ų55.62%0.02328%0.278CS..EExtended strand (participates in β ladder)trans-100.8128175.7-66.657.9000107.6T34 W40 L42 V95 A109 Y110 T112 L115 V177T34-W57 HydrophobicContact CG2-CE3 3.69Å; T34-W57 HydrophobicContact CG2-CH2 3.53Å; T34-W57 HydrophobicContact CG2-CZ2 4.38Å; T34-W57 HydrophobicContact CG2-CZ3 3.13Å; W40-W57 HydrophobicContact CB-CE3 3.79Å; W40-W57 HydrophobicContact CB-CZ3 4.38Å; W40-W57 HydrophobicContact CD2-CB 4.42Å; W40-W57 HydrophobicContact CD2-CE3 4.05Å; W40-W57 HydrophobicContact CE3-CB 3.66Å; W40-W57 HydrophobicContact CE3-CE3 4.42Å; W40-W57 AromaticContact CG-CE3 3.79Å; W40-W57 HydrophobicContact CG-CE3 3.79Å; W40-W57 HydrophobicContact CG-CZ3 4.34Å; W40-W57 HydrophobicContact CZ3-CB 4.18Å; L42-W57 HydrophobicContact CD2-CB 4.42Å; L42-W57 HydrophobicContact CD2-CD2 3.26Å; L42-W57 HydrophobicContact CD2-CE3 3.71Å; L42-W57 HydrophobicContact CD2-CG 3.61Å; L42-W57 HydrophobicContact CD2-CH2 4.3Å; L42-W57 HydrophobicContact CD2-CZ2 3.9Å; L42-W57 HydrophobicContact CD2-CZ3 4.22Å; W57-V95 HydrophobicContact CZ2-CG1 4.39Å; W57-A109 WeakPolarHBondContact O-CA 3.38Å; W57-A109 WeakPolarHBondContact O-CB 3.41Å; W57-Y110 HydrophobicContact CB-CD1 3.66Å; W57-Y110 HydrophobicContact CB-CE1 3.42Å; W57-Y110 VanDerWaalsContact CB-CE1 3.42Å; W57-Y110 HydrophobicContact CB-CE2 4.5Å; W57-Y110 HydrophobicContact CB-CG 4.3Å; W57-Y110 AromaticContact CD2-CE1 3.9Å; W57-Y110 HydrophobicContact CD2-CE1 3.9Å; W57-Y110 HydrophobicContact CD2-CE2 4.22Å; W57-Y110 AromaticContact CD2-CZ 3.53Å; W57-Y110 VanDerWaalsContact CD2-OH 3.25Å; W57-Y110 AromaticContact CE3-CE1 3.92Å; W57-Y110 HydrophobicContact CE3-CE1 3.92Å; W57-Y110 AromaticContact CE3-CZ 3.66Å; W57-Y110 HydrophobicContact CG-CD1 4.28Å; W57-Y110 AromaticContact CG-CE1 3.73Å; W57-Y110 HydrophobicContact CG-CE1 3.73Å; W57-Y110 HydrophobicContact CG-CE2 4.12Å; W57-Y110 AromaticContact CG-CZ 3.65Å; W57-Y110 VanDerWaalsContact CZ3-OH 3.27Å; W57-Y110 WeakPolarHBondContact CZ3-OH 3.45Å; W57-Y110 PolarHBondContact N-O 2.79Å; W57-Y110 PolarHBondContact O-N 3.09Å; W57-Y110 VanDerWaalsContact O-N 3.13Å; W57-T112 PolarHBondContact NE1-OG1 3.45Å; W57-L115 HydrophobicContact CZ2-CD1 3.65Å; W57-V177 HydrophobicContact CH2-CG1 3.89Å; W57-V177 HydrophobicContact CZ2-CG1 4.03Å
58I93.4Very high88.3Confident1 Ų157.1 Ų57.11%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-132127.1-177.4-52.4-179000110.4L16 P17 I27 K41 Y43 I56 L108 A109L16-I58 HydrophobicContact CD1-CD1 4.49Å; L16-I58 HydrophobicContact CD2-CD1 3.96Å; P17-I58 HydrophobicContact CG-CG2 4.05Å; I27-I58 HydrophobicContact CD1-CD1 4.41Å; K41-I58 PolarHBondContact N-O 2.95Å; K41-I58 PolarHBondContact O-N 3.32Å; Y43-I58 HydrophobicContact CD2-CD1 3.86Å; Y43-I58 HydrophobicContact CD2-CG1 4.15Å; Y43-I58 HydrophobicContact CE2-CB 4.31Å; Y43-I58 HydrophobicContact CE2-CD1 3.99Å; Y43-I58 HydrophobicContact CE2-CG1 4.32Å; I56-I58 HydrophobicContact CG2-CD1 4.02Å; I56-I58 HydrophobicContact CG2-CG1 3.73Å; I58-L108 WeakPolarHBondContact CA-O 3.37Å; I58-A109 HydrophobicContact CG1-CB 4.18Å
59V92.1Very high87.9Confident0 Ų059 Ų590%030%0.303CS..EExtended strand (participates in β ladder)trans-105125.3162.1174.80000108.4L39 W40 L64 L79 S107 L108L39-V59 HydrophobicContact CB-CG2 4.26Å; W40-V59 HydrophobicContact CD2-CG2 3.49Å; W40-V59 VanDerWaalsContact CD2-CG2 3.49Å; W40-V59 HydrophobicContact CE3-CB 4.46Å; W40-V59 HydrophobicContact CE3-CG2 3.5Å; W40-V59 HydrophobicContact CG-CG2 3.97Å; W40-V59 HydrophobicContact CH2-CG2 4.13Å; W40-V59 HydrophobicContact CZ2-CG2 4.16Å; W40-V59 HydrophobicContact CZ3-CB 4.48Å; W40-V59 HydrophobicContact CZ3-CG2 3.81Å; V59-L64 HydrophobicContact CG1-CD1 4.48Å; V59-L79 HydrophobicContact CG2-CD1 4.47Å; V59-S107 CarbonylContact O-C 3.56Å; V59-S107 WeakPolarHBondContact O-CA 3.32Å; V59-S107 WeakPolarHBondContact O-CB 3.41Å; V59-L108 HydrophobicContact CB-CB 4.42Å; V59-L108 PolarHBondContact N-O 3.39Å; V59-L108 PolarHBondContact O-N 3.43Å
60E90Very high87.6Confident34 Ų3460.9 Ų60.916%0.15931%0.305CS..EExtended strand (participates in β ladder)trans-83.3118.2168.5-78153.9-150.700109.6P17 K41 K62 L63P17-E60 HydrophobicContact CG-CG 3.92Å; K41-E60 IonicContact NZ-OE1 2.92Å; K41-E60 PolarHBondContact NZ-OE1 3.01Å; K41-E60 IonicContact NZ-OE2 2.7Å; K41-E60 PolarHBondContact NZ-OE2 3.44Å; E60-K62 PolarHBondContact O-N 3.24Å; E60-K62 VanDerWaalsContact O-N 3.13Å; E60-L63 HydrophobicContact CB-CD1 4.19Å; E60-L63 HydrophobicContact CB-CG 4.11Å; E60-L63 WeakPolarHBondContact O-CB 3.42Å; E60-L63 PolarHBondContact O-N 2.56Å
61K88.2Confident87Confident31 Ų3159.7 Ų59.714%0.13529%0.294CS..G310 helixtrans-62.2-21.9178.3-69.9176.7171.7-178.40112.7L63 L64 E65 E103 S104 R105 E106K61-L63 VanDerWaalsContact C-N 3.26Å; K61-L63 PolarHBondContact O-N 2.96Å; K61-L64 WeakPolarHBondContact O-CA 3.36Å; K61-L64 WeakPolarHBondContact O-CB 3.49Å; K61-L64 PolarHBondContact O-N 3.46Å; K61-E65 PolarHBondContact O-N 3.4Å; K61-E103 IonicContact NZ-OE1 3.76Å; K61-E103 PolarHBondContact NZ-OE1 3.36Å; K61-S104 PolarHBondContact NZ-O 2.99Å; K61-R105 WeakPolarHBondContact CD-O 3.32Å; K61-E106 WeakPolarHBondContact CB-O 3.44Å; K61-E106 PolarHBondContact N-O 3.23Å
62K85.4Confident86.8Confident123 Ų12357.5 Ų57.554%0.53528%0.281SS..G310 helixtrans-57.4-35.2171.5-66.6-177.8-179.6173.10112.9E60 L64 E65E60-K62 PolarHBondContact O-N 3.24Å; E60-K62 VanDerWaalsContact O-N 3.13Å; K62-L64 PolarHBondContact O-N 2.93Å; K62-E65 WeakPolarHBondContact O-CB 3.36Å; K62-E65 PolarHBondContact O-N 3.39Å; K62-E65 VanDerWaalsContact O-N 3.13Å
63L81.2Confident86.5Confident78 Ų7857.8 Ų57.841%0.40828%0.282SS..G310 helixtrans-66.3-16.7174.7-60.7174.5000112.6L39 E60 K61L39-L63 HydrophobicContact CD2-CB 4.37Å; E60-L63 HydrophobicContact CB-CD1 4.19Å; E60-L63 HydrophobicContact CB-CG 4.11Å; E60-L63 WeakPolarHBondContact O-CB 3.42Å; E60-L63 PolarHBondContact O-N 2.56Å; K61-L63 VanDerWaalsContact C-N 3.26Å; K61-L63 PolarHBondContact O-N 2.96Å
64L81.2Confident86.2Confident1 Ų156.9 Ų56.91%0.00528%0.284CS..G310 helixtrans-101-0177.5-49.3177.3000113.3L39 V59 K61 K62 S66 Y67 R72 M75 I76L39-L64 HydrophobicContact CD1-CD2 3.92Å; L39-L64 HydrophobicContact CD2-CD2 3.95Å; V59-L64 HydrophobicContact CG1-CD1 4.48Å; K61-L64 WeakPolarHBondContact O-CA 3.36Å; K61-L64 WeakPolarHBondContact O-CB 3.49Å; K61-L64 PolarHBondContact O-N 3.46Å; K62-L64 PolarHBondContact O-N 2.93Å; L64-S66 VanDerWaalsContact C-N 3.27Å; L64-S66 PolarHBondContact O-N 3.35Å; L64-Y67 HydrophobicContact CB-CD2 4.22Å; L64-Y67 HydrophobicContact CD2-CD2 4.21Å; L64-Y67 HydrophobicContact CD2-CE2 4.08Å; L64-Y67 PolarHBondContact O-N 2.75Å; L64-R72 HydrophobicContact CB-CG 3.9Å; L64-R72 PolarHBondContact O-NE 2.97Å; L64-M75 HydrophobicContact CD1-CG 4.27Å; L64-M75 HydrophobicContact CD2-CG 4.29Å; L64-I76 HydrophobicContact CD1-CG1 4.14Å
65E78.9Confident85.8Confident117 Ų11756.8 Ų56.855%0.54728%0.283SS..THydrogen-bonded Turntrans-69.7-24.3-178.2-77173.8-165.300113.2K61 K62 Y67 R72K61-E65 PolarHBondContact O-N 3.4Å; K62-E65 WeakPolarHBondContact O-CB 3.36Å; K62-E65 PolarHBondContact O-N 3.39Å; K62-E65 VanDerWaalsContact O-N 3.13Å; E65-Y67 PolarHBondContact O-N 3.35Å; E65-R72 PolarHBondContact O-NH2 2.77Å
66S76.7Confident85.6Confident91 Ų9157.7 Ų57.764%0.63629%0.287SS*.THydrogen-bonded Turntrans-64-20172.651.50000114.1L64L64-S66 VanDerWaalsContact C-N 3.27Å; L64-S66 PolarHBondContact O-N 3.35Å
67Y73.7Confident85.4Confident84 Ų8463.9 Ų63.933%0.32932%0.316SS..SBendtrans-96.5149.9-174.9-54.4-66.5000113.3L64 E65 R72 M216L64-Y67 HydrophobicContact CB-CD2 4.22Å; L64-Y67 HydrophobicContact CD2-CD2 4.21Å; L64-Y67 HydrophobicContact CD2-CE2 4.08Å; L64-Y67 PolarHBondContact O-N 2.75Å; E65-Y67 PolarHBondContact O-N 3.35Å; Y67-R72 PolarHBondContact O-NH2 2.9Å; Y67-M216 HydrophobicContact CD1-CE 3.41Å; Y67-M216 VanDerWaalsContact CD1-CE 3.41Å; Y67-M216 HydrophobicContact CD1-SD 3.66Å; Y67-M216 HydrophobicContact CD2-CE 3.81Å; Y67-M216 HydrophobicContact CD2-SD 4.48Å; Y67-M216 HydrophobicContact CE1-CE 3.5Å; Y67-M216 VanDerWaalsContact CE1-CE 3.5Å; Y67-M216 HydrophobicContact CE1-SD 4.31Å; Y67-M216 HydrophobicContact CE2-CE 3.91Å; Y67-M216 HydrophobicContact CG-CE 3.58Å; Y67-M216 HydrophobicContact CG-SD 3.77Å
68P82.5Confident85.2Confident75 Ų7565.1 Ų65.149%0.48733%0.325SS..  trans-51.2141.8171.1-27.134.7000113.2L70 Q71 R72P68-L70 PolarHBondContact O-N 3.19Å; P68-Q71 HydrophobicContact CB-CG 4.37Å; P68-Q71 PolarHBondContact O-N 2.86Å; P68-R72 PolarHBondContact O-N 3.29Å
69K84.4Confident85.2Confident143 Ų14365 Ų6562%0.62232%0.324SS*.Hα-helixtrans-51.9-50.2-172.6-177.2-178.2169-174.70113.7Q71 R72 E73K69-Q71 VanDerWaalsContact C-N 3.32Å; K69-Q71 PolarHBondContact O-N 3.47Å; K69-R72 WeakPolarHBondContact O-CB 3.26Å; K69-R72 PolarHBondContact O-N 2.92Å; K69-E73 WeakPolarHBondContact CE-OE1 3.41Å; K69-E73 IonicContact NZ-OE1 4Å; K69-E73 WeakPolarHBondContact O-CG 3.46Å; K69-E73 PolarHBondContact O-N 3.19Å
70L83.1Confident85.3Confident137 Ų13768.3 Ų68.372%0.71734%0.339SS*.Hα-helixtrans-58.9-42.1179.7-75160.1000112.2P68 E73 S74P68-L70 PolarHBondContact O-N 3.19Å; L70-E73 PolarHBondContact O-N 3.42Å; L70-S74 PolarHBondContact O-N 3.21Å; L70-S74 PolarHBondContact O-OG 3.17Å; L70-S74 VanDerWaalsContact O-OG 3.06Å
71Q80.9Confident85.5Confident57 Ų5770.9 Ų70.927%0.26635%0.347SS..Hα-helixtrans-71.4-35.5-179.9-61.8178.3-17.200111.7P68 K69 S74 M75 M216P68-Q71 HydrophobicContact CB-CG 4.37Å; P68-Q71 PolarHBondContact O-N 2.86Å; K69-Q71 VanDerWaalsContact C-N 3.32Å; K69-Q71 PolarHBondContact O-N 3.47Å; Q71-S74 PolarHBondContact O-N 3.3Å; Q71-M75 WeakPolarHBondContact O-CB 3.5Å; Q71-M75 PolarHBondContact O-N 2.82Å; Q71-M216 HydrophobicContact CB-CG 4.34Å; Q71-M216 HydrophobicContact CB-SD 3.61Å; Q71-M216 HydrophobicContact CG-SD 4.43Å
72R84.7Confident85.8Confident71 Ų7169.5 Ų69.527%0.26834%0.342SS..Hα-helixtrans-62.4-42.7172.1-176.6-172.1-48.9161.711.4112L64 E65 Y67 P68 K69 M75 I76L64-R72 HydrophobicContact CB-CG 3.9Å; L64-R72 PolarHBondContact O-NE 2.97Å; E65-R72 PolarHBondContact O-NH2 2.77Å; Y67-R72 PolarHBondContact O-NH2 2.9Å; P68-R72 PolarHBondContact O-N 3.29Å; K69-R72 WeakPolarHBondContact O-CB 3.26Å; K69-R72 PolarHBondContact O-N 2.92Å; R72-M75 PolarHBondContact O-N 2.88Å; R72-I76 HydrophobicContact CG-CD1 4.19Å; R72-I76 WeakPolarHBondContact O-CG1 3.35Å; R72-I76 PolarHBondContact O-N 3.39Å
73E87.2Confident86.2Confident86 Ų8663.9 Ų63.940%0.40232%0.318SS..Hα-helixtrans-64.2-47.8176.7-73.5167.3168.300110.4K69 L70 M75 I76 E77K69-E73 WeakPolarHBondContact CE-OE1 3.41Å; K69-E73 IonicContact NZ-OE1 4Å; K69-E73 WeakPolarHBondContact O-CG 3.46Å; K69-E73 PolarHBondContact O-N 3.19Å; L70-E73 PolarHBondContact O-N 3.42Å; E73-M75 PolarHBondContact O-N 3.41Å; E73-I76 PolarHBondContact O-N 3.47Å; E73-I76 VanDerWaalsContact O-N 3.16Å; E73-E77 PolarHBondContact O-N 3.33Å
74S85.9Confident86.9Confident55 Ų5562.6 Ų62.639%0.38532%0.316SS..Hα-helixtrans-58.2-41.7173.6-55.10000113.3L70 Q71 I76 E77 V78L70-S74 PolarHBondContact O-N 3.21Å; L70-S74 PolarHBondContact O-OG 3.17Å; L70-S74 VanDerWaalsContact O-OG 3.06Å; Q71-S74 PolarHBondContact O-N 3.3Å; S74-I76 PolarHBondContact O-N 2.85Å; S74-E77 PolarHBondContact O-N 3.29Å; S74-V78 WeakPolarHBondContact O-CG2 3.32Å; S74-V78 PolarHBondContact O-N 2.89Å
75M87.5Confident87.6Confident1 Ų162.7 Ų62.71%0.00532%0.316CS..Hα-helixtrans-60-45175.6178.259.576.400111.7L36 L39 L64 Q71 R72 E73 E77 V78 L79 M216 T218 C219L36-M75 HydrophobicContact CD1-SD 4.44Å; L39-M75 HydrophobicContact CD1-SD 4.3Å; L64-M75 HydrophobicContact CD1-CG 4.27Å; L64-M75 HydrophobicContact CD2-CG 4.29Å; Q71-M75 WeakPolarHBondContact O-CB 3.5Å; Q71-M75 PolarHBondContact O-N 2.82Å; R72-M75 PolarHBondContact O-N 2.88Å; E73-M75 PolarHBondContact O-N 3.41Å; M75-E77 VanDerWaalsContact C-N 3.3Å; M75-E77 PolarHBondContact O-N 3.06Å; M75-V78 PolarHBondContact O-N 3.01Å; M75-L79 HydrophobicContact CG-CD1 4.01Å; M75-L79 HydrophobicContact CG-CG 4.49Å; M75-L79 VanDerWaalsContact O-CG 3.27Å; M75-L79 WeakPolarHBondContact O-CG 3.45Å; M75-L79 PolarHBondContact O-N 3.07Å; M75-L79 HydrophobicContact SD-CD1 4.22Å; M75-L79 HydrophobicContact SD-CG 4.2Å; M75-M216 HydrophobicContact CE-CE 4.15Å; M75-T218 VanDerWaalsContact CE-CB 3.48Å; M75-T218 WeakPolarHBondContact CE-OG1 3.39Å; M75-C219 VanDerWaalsContact CE-SG 3.5Å
76I90.6Very high88.4Confident19 Ų1957.3 Ų57.310%0.09729%0.291CS..Hα-helixtrans-63.2-37.9178.6-71.8166.9000111L64 R72 E73 S74 K80 L108L64-I76 HydrophobicContact CD1-CG1 4.14Å; R72-I76 HydrophobicContact CG-CD1 4.19Å; R72-I76 WeakPolarHBondContact O-CG1 3.35Å; R72-I76 PolarHBondContact O-N 3.39Å; E73-I76 PolarHBondContact O-N 3.47Å; E73-I76 VanDerWaalsContact O-N 3.16Å; S74-I76 PolarHBondContact O-N 2.85Å; I76-K80 HydrophobicContact CG2-CD 3.96Å; I76-K80 VanDerWaalsContact CG2-CE 3.49Å; I76-K80 WeakPolarHBondContact O-CB 3.5Å; I76-K80 WeakPolarHBondContact O-CD 3.27Å; I76-K80 WeakPolarHBondContact O-CG 3.21Å; I76-K80 PolarHBondContact O-N 3.3Å; I76-L108 HydrophobicContact CG1-CD1 4.46Å; I76-L108 HydrophobicContact CG2-CD1 4.22Å; I76-L108 HydrophobicContact CG2-CD2 4.43Å
77E90.9Very high89.2Confident131 Ų13157.1 Ų57.161%0.61228%0.281SS*.Hα-helixtrans-65.9-44.2174.9-70.6177.6175.400112.7E73 S74 M75 K80 Y81E73-E77 PolarHBondContact O-N 3.33Å; S74-E77 PolarHBondContact O-N 3.29Å; M75-E77 VanDerWaalsContact C-N 3.3Å; M75-E77 PolarHBondContact O-N 3.06Å; E77-K80 PolarHBondContact O-N 2.83Å; E77-Y81 WeakPolarHBondContact O-CB 3.46Å; E77-Y81 PolarHBondContact O-N 3.04Å
78V91Very high90.2Very high32 Ų3262 Ų6219%0.19430%0.299CS..Hα-helixtrans-60.6-45176.3167.30000111.3L36 S74 M75 Y81 G82 E190 F191L36-V78 HydrophobicContact CD1-CG1 3.81Å; S74-V78 WeakPolarHBondContact O-CG2 3.32Å; S74-V78 PolarHBondContact O-N 2.89Å; M75-V78 PolarHBondContact O-N 3.01Å; V78-Y81 PolarHBondContact O-N 3.18Å; V78-G82 PolarHBondContact O-N 2.94Å; V78-G82 VanDerWaalsContact O-N 3.09Å; V78-E190 HydrophobicContact CG1-CB 3.71Å; V78-E190 HydrophobicContact CG1-CG 4.36Å; V78-F191 HydrophobicContact CG1-CE1 4.01Å
79L92.8Very high90.8Very high0 Ų059.2 Ų59.20%028%0.28CS..Hα-helixtrans-62.8-43.5175.1-68.5169.6000112.2L36 W40 V59 M75 G82 V83 L108 E190L36-L79 HydrophobicContact CD1-CD2 4.36Å; W40-L79 HydrophobicContact CZ2-CB 4.18Å; W40-L79 HydrophobicContact CZ2-CD2 4.13Å; V59-L79 HydrophobicContact CG2-CD1 4.47Å; M75-L79 HydrophobicContact CG-CD1 4.01Å; M75-L79 HydrophobicContact CG-CG 4.49Å; M75-L79 VanDerWaalsContact O-CG 3.27Å; M75-L79 WeakPolarHBondContact O-CG 3.45Å; M75-L79 PolarHBondContact O-N 3.07Å; M75-L79 HydrophobicContact SD-CD1 4.22Å; M75-L79 HydrophobicContact SD-CG 4.2Å; L79-G82 PolarHBondContact O-N 3.44Å; L79-V83 PolarHBondContact O-N 3.46Å; L79-L108 HydrophobicContact CB-CD1 4.36Å; L79-L108 HydrophobicContact CD1-CD1 4.3Å; L79-E190 HydrophobicContact CD2-CG 4.46Å
80K94.3Very high91.2Very high69 Ų6960 Ų6030%0.328%0.283SS..Hα-helixtrans-63.3-40175.4-75.8167.8176.9175.40112.2I76 E77 V83 S84 L101 E103I76-K80 HydrophobicContact CG2-CD 3.96Å; I76-K80 VanDerWaalsContact CG2-CE 3.49Å; I76-K80 WeakPolarHBondContact O-CB 3.5Å; I76-K80 WeakPolarHBondContact O-CD 3.27Å; I76-K80 WeakPolarHBondContact O-CG 3.21Å; I76-K80 PolarHBondContact O-N 3.3Å; E77-K80 PolarHBondContact O-N 2.83Å; K80-V83 PolarHBondContact O-N 2.88Å; K80-S84 VanDerWaalsContact O-CB 3.26Å; K80-S84 WeakPolarHBondContact O-CB 3.47Å; K80-S84 PolarHBondContact O-N 2.86Å; K80-L101 HydrophobicContact CG-CD1 4.26Å; K80-L101 HydrophobicContact CG-CD2 4.18Å; K80-E103 WeakPolarHBondContact CE-OE2 3.24Å; K80-E103 VanDerWaalsContact NZ-CD 3.3Å; K80-E103 IonicContact NZ-OE1 2.66Å; K80-E103 PolarHBondContact NZ-OE1 3.34Å; K80-E103 IonicContact NZ-OE2 3.26Å; K80-E103 PolarHBondContact NZ-OE2 2.78Å
81Y94.5Very high91.7Very high87 Ų8755.5 Ų55.534%0.34126%0.259SS..Hα-helixtrans-61.9-43.1177.2179-96000111.9E77 V78 S84 T85 E190 S192E77-Y81 WeakPolarHBondContact O-CB 3.46Å; E77-Y81 PolarHBondContact O-N 3.04Å; V78-Y81 PolarHBondContact O-N 3.18Å; Y81-S84 PolarHBondContact O-N 3.24Å; Y81-T85 WeakPolarHBondContact O-CB 3.01Å; Y81-T85 PolarHBondContact O-N 3.02Å; Y81-T85 PolarHBondContact O-OG1 3.39Å; Y81-E190 WeakPolarHBondContact CD1-O 3.43Å; Y81-S192 WeakPolarHBondContact CE1-O 3.38Å; Y81-S192 PolarHBondContact OH-O 3.08Å
82G94.1Very high92.1Very high3 Ų357.1 Ų57.13%0.03127%0.274CS..Hα-helixtrans-57.8-50.5176.100000112.6V78 L79 T85 L86V78-G82 PolarHBondContact O-N 2.94Å; V78-G82 VanDerWaalsContact O-N 3.09Å; L79-G82 PolarHBondContact O-N 3.44Å; G82-T85 PolarHBondContact O-N 3.45Å; G82-L86 WeakPolarHBondContact O-CB 3.41Å; G82-L86 PolarHBondContact O-N 3.04Å
83V95Very high92.6Very high4 Ų454.4 Ų54.42%0.02426%0.264CS..Hα-helixtrans-68.4-39.7179.9-175.70000112.1W40 L79 K80 T85 L86 M87 L101 Y110W40-V83 HydrophobicContact CH2-CG2 4.23Å; W40-V83 HydrophobicContact CZ2-CG2 4.01Å; L79-V83 PolarHBondContact O-N 3.46Å; K80-V83 PolarHBondContact O-N 2.88Å; V83-T85 VanDerWaalsContact C-N 3.27Å; V83-T85 PolarHBondContact O-N 3.16Å; V83-L86 PolarHBondContact O-N 2.88Å; V83-M87 WeakPolarHBondContact O-CG 3.45Å; V83-M87 PolarHBondContact O-N 3.44Å; V83-L101 HydrophobicContact CB-CB 4.47Å; V83-L101 HydrophobicContact CB-CD1 4.19Å; V83-L101 HydrophobicContact CG1-CB 4.07Å; V83-L101 HydrophobicContact CG2-CD1 4.02Å; V83-Y110 HydrophobicContact CG1-CD1 4.16Å; V83-Y110 HydrophobicContact CG1-CD2 3.84Å; V83-Y110 HydrophobicContact CG1-CE1 4.38Å; V83-Y110 HydrophobicContact CG1-CE2 4.06Å; V83-Y110 HydrophobicContact CG1-CG 3.88Å; V83-Y110 HydrophobicContact CG2-CD1 3.83Å; V83-Y110 HydrophobicContact CG2-CE1 3.48Å; V83-Y110 VanDerWaalsContact CG2-CE1 3.48Å; V83-Y110 HydrophobicContact CG2-CE2 4.31Å; V83-Y110 HydrophobicContact CG2-CG 4.39Å
84S95.6Very high93Very high51 Ų5150.4 Ų50.436%0.35725%0.246SC..Hα-helixtrans-61.6-34.7174.7-175.80000112.5K80 Y81 R88K80-S84 VanDerWaalsContact O-CB 3.26Å; K80-S84 WeakPolarHBondContact O-CB 3.47Å; K80-S84 PolarHBondContact O-N 2.86Å; Y81-S84 PolarHBondContact O-N 3.24Å; S84-R88 WeakPolarHBondContact O-CG 3.25Å
85T95.2Very high93.5Very high4 Ų447.9 Ų47.93%0.02523%0.228CC..Hα-helixtrans-72.6-46.1173.7-59.70000111.3Y81 G82 V83 M87 R88 I89 F189Y81-T85 WeakPolarHBondContact O-CB 3.01Å; Y81-T85 PolarHBondContact O-N 3.02Å; Y81-T85 PolarHBondContact O-OG1 3.39Å; G82-T85 PolarHBondContact O-N 3.45Å; V83-T85 VanDerWaalsContact C-N 3.27Å; V83-T85 PolarHBondContact O-N 3.16Å; T85-M87 VanDerWaalsContact C-N 3.26Å; T85-M87 PolarHBondContact O-N 3.39Å; T85-R88 WeakPolarHBondContact O-CB 3.49Å; T85-R88 PolarHBondContact O-N 3.08Å; T85-I89 HydrophobicContact CG2-CD1 3.82Å; T85-F189 HydrophobicContact CG2-CB 4.08Å; T85-F189 HydrophobicContact CG2-CD1 4.05Å; T85-F189 HydrophobicContact CG2-CG 4.32Å
86L94.8Very high93.9Very high4 Ų449.7 Ų49.72%0.02124%0.241CC..Hα-helixtrans-56.6-39.5178.9-172.768.2000112G82 V83 R88 I89 I94 V95 V97 Y110 F189G82-L86 WeakPolarHBondContact O-CB 3.41Å; G82-L86 PolarHBondContact O-N 3.04Å; V83-L86 PolarHBondContact O-N 2.88Å; L86-R88 PolarHBondContact O-N 2.75Å; L86-I89 PolarHBondContact O-N 3.03Å; L86-I94 HydrophobicContact CD1-CG2 3.64Å; L86-V95 HydrophobicContact CD1-CB 4.19Å; L86-V95 WeakPolarHBondContact CD1-O 3.28Å; L86-V95 HydrophobicContact CD2-CB 4.15Å; L86-V95 HydrophobicContact CD2-CG1 4.28Å; L86-V95 WeakPolarHBondContact CG-O 3.42Å; L86-V97 HydrophobicContact CB-CG2 4.3Å; L86-V97 HydrophobicContact CD2-CG2 3.66Å; L86-V97 HydrophobicContact CG-CG2 3.86Å; L86-Y110 HydrophobicContact CD2-CE2 4.33Å; L86-F189 HydrophobicContact CB-CD2 4.41Å; L86-F189 HydrophobicContact CD1-CD2 3.62Å; L86-F189 HydrophobicContact CD1-CE2 3.6Å
87M94.8Very high94.2Very high86 Ų8650 Ų5042%0.42424%0.244SC..THydrogen-bonded Turntrans-60.4-25.6174.7-75.7177.860.300114.9V83 T85 V97 P100V83-M87 WeakPolarHBondContact O-CG 3.45Å; V83-M87 PolarHBondContact O-N 3.44Å; T85-M87 VanDerWaalsContact C-N 3.26Å; T85-M87 PolarHBondContact O-N 3.39Å; M87-V97 HydrophobicContact CG-CB 3.83Å; M87-V97 HydrophobicContact CG-CG1 3.73Å; M87-V97 HydrophobicContact CG-CG2 3.94Å; M87-V97 HydrophobicContact SD-CG1 4.39Å; M87-P100 HydrophobicContact CE-CB 3.9Å; M87-P100 HydrophobicContact CE-CG 3.69Å; M87-P100 HydrophobicContact SD-CB 3.84Å; M87-P100 HydrophobicContact SD-CG 4.25Å
88R94.1Very high94.3Very high188 Ų18847.1 Ų47.171%0.70923%0.232SC*.THydrogen-bonded Turntrans-85.3-19.8-177.7-63.5173-169.4-147.9-0.4112.8S84 T85 L86S84-R88 WeakPolarHBondContact O-CG 3.25Å; T85-R88 WeakPolarHBondContact O-CB 3.49Å; T85-R88 PolarHBondContact O-N 3.08Å; L86-R88 PolarHBondContact O-N 2.75Å
89I94.4Very high94.4Very high15 Ų1546.4 Ų46.48%0.07723%0.226CC..  trans-104.1119.7-170-55.6172.1000109.1T85 L86 I94 F159 L160 F189T85-I89 HydrophobicContact CG2-CD1 3.82Å; L86-I89 PolarHBondContact O-N 3.03Å; I89-I94 HydrophobicContact CG2-CD1 3.52Å; I89-I94 HydrophobicContact CG2-CG2 4.35Å; I89-F159 HydrophobicContact CG2-CE1 3.8Å; I89-L160 HydrophobicContact CD1-CD2 3.96Å; I89-L160 HydrophobicContact CG2-CD2 4.22Å; I89-F189 HydrophobicContact CD1-CD1 3.84Å; I89-F189 HydrophobicContact CD1-CE1 3.54Å; I89-F189 HydrophobicContact CD1-CZ 4.15Å
90K93.3Very high94.5Very high160 Ų16049.6 Ų49.670%0.69625%0.247SC*.  trans-115.5102.2-178.8-65.7-176.4-179179.30110.2
91H93.2Very high94.5Very high43 Ų4348.2 Ų48.220%0.19924%0.243CC..  trans-146.7142.5178.5-173.8-113.1000110.9K93 I94 F159H91-K93 PolarHBondContact ND1-N 2.6Å; H91-K93 PolarHBondContact O-N 2.84Å; H91-K93 VanDerWaalsContact O-N 3.11Å; H91-I94 HydrophobicContact CB-CB 4.07Å; H91-I94 HydrophobicContact CB-CD1 3.86Å; H91-I94 HydrophobicContact CB-CG1 3.97Å; H91-I94 PolarHBondContact O-N 2.89Å; H91-F159 HydrophobicContact CB-CD1 3.66Å; H91-F159 HydrophobicContact CB-CE1 3.6Å; H91-F159 HydrophobicContact CB-CG 4.33Å; H91-F159 HydrophobicContact CB-CZ 4.23Å; H91-F159 AromaticContact CD2-CD1 3.75Å; H91-F159 AromaticContact CD2-CD2 3.75Å; H91-F159 AromaticContact CD2-CG 3.5Å; H91-F159 AromaticContact CG-CD1 3.61Å; H91-F159 AromaticContact CG-CG 3.84Å; H91-F159 AromaticContact NE2-CG 3.96Å
92P91.3Very high94.4Very high91 Ų9146.2 Ų46.259%0.59124%0.236SC*.THydrogen-bonded Turntrans-57.8-27.8-178.7-28.137000114.8K185P92-K185 WeakPolarHBondContact O-CE 3.36Å; P92-K185 PolarHBondContact O-NZ 2.9Å; P92-K185 VanDerWaalsContact O-NZ 3.08Å
93K94.5Very high94.3Very high14 Ų1450.3 Ų50.36%0.06126%0.255CS..THydrogen-bonded Turntrans-98.511.8179-44.9-53.1-169-172.90113.9H91 Q152 E155 A156 I183 K185 L186 D325H91-K93 PolarHBondContact ND1-N 2.6Å; H91-K93 PolarHBondContact O-N 2.84Å; H91-K93 VanDerWaalsContact O-N 3.11Å; K93-Q152 WeakPolarHBondContact CB-O 3.4Å; K93-Q152 HydrophobicContact CD-CB 3.99Å; K93-Q152 HydrophobicContact CD-CG 3.99Å; K93-Q152 HydrophobicContact CG-CB 4.34Å; K93-E155 WeakPolarHBondContact CE-OE2 3.5Å; K93-E155 HydrophobicContact CG-CB 4.27Å; K93-E155 IonicContact NZ-OE2 3.33Å; K93-A156 HydrophobicContact CB-CB 3.9Å; K93-I183 HydrophobicContact CD-CG2 4.36Å; K93-K185 WeakPolarHBondContact O-CA 3.44Å; K93-L186 PolarHBondContact O-N 2.98Å; K93-D325 IonicContact NZ-OD2 2.74Å; K93-D325 PolarHBondContact NZ-OD2 2.96Å
94I96.2Very high94.1Very high2 Ų251 Ų511%0.0126%0.26CS..BIsolated β-bridgetrans-115.8149.5174-65177.9000108.2L86 I89 H91 S96 A156 F159 L160 K185 L186 F189L86-I94 HydrophobicContact CD1-CG2 3.64Å; I89-I94 HydrophobicContact CG2-CD1 3.52Å; I89-I94 HydrophobicContact CG2-CG2 4.35Å; H91-I94 HydrophobicContact CB-CB 4.07Å; H91-I94 HydrophobicContact CB-CD1 3.86Å; H91-I94 HydrophobicContact CB-CG1 3.97Å; H91-I94 PolarHBondContact O-N 2.89Å; I94-S96 PolarHBondContact O-N 3.13Å; I94-A156 HydrophobicContact CG1-CB 4.31Å; I94-F159 HydrophobicContact CD1-CD1 4.12Å; I94-F159 HydrophobicContact CD1-CE1 4.43Å; I94-L160 HydrophobicContact CD1-CD1 4.4Å; I94-L160 HydrophobicContact CD1-CD2 3.93Å; I94-L160 HydrophobicContact CD1-CG 4.06Å; I94-K185 PolarHBondContact O-NZ 2.85Å; I94-L186 WeakPolarHBondContact CA-O 3.46Å; I94-L186 HydrophobicContact CG1-CB 4.43Å; I94-F189 HydrophobicContact CD1-CZ 4.13Å; I94-F189 HydrophobicContact CG2-CE2 3.98Å; I94-F189 HydrophobicContact CG2-CZ 4.1Å
95V96.2Very high93.6Very high1 Ų160.3 Ų60.31%0.00629%0.287CS..PPolyproline II helixtrans-69.2122.1-177.5179.10000110.7W57 L86 T112 V177 K185 L186W57-V95 HydrophobicContact CZ2-CG1 4.39Å; L86-V95 HydrophobicContact CD1-CB 4.19Å; L86-V95 WeakPolarHBondContact CD1-O 3.28Å; L86-V95 HydrophobicContact CD2-CB 4.15Å; L86-V95 HydrophobicContact CD2-CG1 4.28Å; L86-V95 WeakPolarHBondContact CG-O 3.42Å; V95-T112 HydrophobicContact CG1-CG2 3.73Å; V95-V177 HydrophobicContact CG2-CG2 3.3Å; V95-K185 HydrophobicContact CG2-CB 3.71Å; V95-L186 PolarHBondContact N-O 2.8Å; V95-L186 VanDerWaalsContact N-O 3.09Å
96S95.6Very high93.2Very high40 Ų4064 Ų6428%0.2830%0.304SS..PPolyproline II helixtrans-83.7119.4176.6-168.80000111.1I94 T112 E113I94-S96 PolarHBondContact O-N 3.13Å; S96-T112 VanDerWaalsContact O-CA 3.31Å; S96-T112 WeakPolarHBondContact O-CA 3.23Å; S96-T112 WeakPolarHBondContact O-CB 3.4Å; S96-E113 WeakPolarHBondContact CB-OE1 3.27Å; S96-E113 PolarHBondContact N-OE1 3.06Å; S96-E113 PolarHBondContact O-N 3.01Å; S96-E113 VanDerWaalsContact O-N 3.09Å
97V95.7Very high93.1Very high26 Ų2663.9 Ų63.916%0.15830%0.303CS..EExtended strand (participates in β ladder)trans-74.8129.9168.9-179.80000109.4L86 M87 Q99 Y110L86-V97 HydrophobicContact CB-CG2 4.3Å; L86-V97 HydrophobicContact CD2-CG2 3.66Å; L86-V97 HydrophobicContact CG-CG2 3.86Å; M87-V97 HydrophobicContact CG-CB 3.83Å; M87-V97 HydrophobicContact CG-CG1 3.73Å; M87-V97 HydrophobicContact CG-CG2 3.94Å; M87-V97 HydrophobicContact SD-CG1 4.39Å; V97-Q99 WeakPolarHBondContact CG1-O 3.22Å; V97-Y110 HydrophobicContact CG1-CD2 4.3Å; V97-Y110 HydrophobicContact CG2-CD2 4.23Å; V97-Y110 HydrophobicContact CG2-CE2 4.15Å
98L94Very high93Very high69 Ų6959.8 Ų59.836%0.36128%0.283SS..EExtended strand (participates in β ladder)trans-97.9-35.7175.4-63-177.5000112.1A54 A111 T112A54-L98 HydrophobicContact CB-CD1 4.05Å; L98-A111 HydrophobicContact CB-CB 4.47Å; L98-A111 PolarHBondContact N-O 3.34Å; L98-T112 WeakPolarHBondContact CD1-O 3.44Å
99Q93.4Very high93Very high17 Ų1750.8 Ų50.88%0.07925%0.249CC..EExtended strand (participates in β ladder)trans-134.2133.2177.5-165.2148.6-20.200109.2L21 E24 Y25 K47 V97 E102 A111L21-Q99 HydrophobicContact CD1-CB 4.08Å; L21-Q99 HydrophobicContact CD1-CG 3.61Å; L21-Q99 VanDerWaalsContact CD1-NE2 3.34Å; E24-Q99 PolarHBondContact OE2-NE2 3.01Å; E24-Q99 PolarHBondContact OE2-OE1 3.21Å; Y25-Q99 VanDerWaalsContact CE2-OE1 3.32Å; Y25-Q99 PolarHBondContact OH-OE1 3.35Å; K47-Q99 VanDerWaalsContact NZ-OE1 3.13Å; V97-Q99 WeakPolarHBondContact CG1-O 3.22Å; Q99-E102 PolarHBondContact NE2-OE1 3.05Å; Q99-A111 HydrophobicContact CB-CB 3.64Å; Q99-A111 PolarHBondContact N-O 3.28Å; Q99-A111 PolarHBondContact O-N 3.14Å
100P94.1Very high93.1Very high67 Ų6750.4 Ų50.444%0.43525%0.247SC..EExtended strand (participates in β ladder)trans-57.6170.7179.8-23.934.3000113.7M87 E102M87-P100 HydrophobicContact CE-CB 3.9Å; M87-P100 HydrophobicContact CE-CG 3.69Å; M87-P100 HydrophobicContact SD-CB 3.84Å; M87-P100 HydrophobicContact SD-CG 4.25Å; P100-E102 PolarHBondContact O-N 3.03Å
101L94.4Very high93.2Very high41 Ų4142.8 Ų42.822%0.21521%0.214CC..EExtended strand (participates in β ladder)trans-69.6122.9175-175152.3000111.6W40 K80 V83 E103 L108 A109W40-L101 HydrophobicContact CH2-CD1 3.97Å; K80-L101 HydrophobicContact CG-CD1 4.26Å; K80-L101 HydrophobicContact CG-CD2 4.18Å; V83-L101 HydrophobicContact CB-CB 4.47Å; V83-L101 HydrophobicContact CB-CD1 4.19Å; V83-L101 HydrophobicContact CG1-CB 4.07Å; V83-L101 HydrophobicContact CG2-CD1 4.02Å; L101-E103 HydrophobicContact CD2-CB 4.41Å; L101-L108 HydrophobicContact CD1-CB 4.4Å; L101-L108 HydrophobicContact CD2-CD2 4.33Å; L101-A109 CarbonylContact C-O 3.34Å; L101-A109 WeakPolarHBondContact CA-O 3.38Å
102E93.3Very high93.3Very high44 Ų4440.7 Ų40.721%0.20620%0.204CC..EExtended strand (participates in β ladder)trans-106.1128.3172-68.9-179.2-151.800110.1N19 P20 L21 Q99 P100 A109N19-E102 PolarHBondContact ND2-O 3.29Å; P20-E102 WeakPolarHBondContact CB-OE2 3.4Å; L21-E102 WeakPolarHBondContact CA-OE2 2.91Å; L21-E102 HydrophobicContact CB-CB 4.43Å; L21-E102 PolarHBondContact N-OE2 3.25Å; Q99-E102 PolarHBondContact NE2-OE1 3.05Å; P100-E102 PolarHBondContact O-N 3.03Å; E102-A109 PolarHBondContact N-O 3.35Å; E102-A109 PolarHBondContact O-N 3.47Å
103E91.5Very high93.5Very high90 Ų9037.8 Ų37.842%0.42118%0.182SC..EExtended strand (participates in β ladder)trans-104.6128.6-179.6174.3163.9-139.800110.9K61 K80 L101 L108K61-E103 IonicContact NZ-OE1 3.76Å; K61-E103 PolarHBondContact NZ-OE1 3.36Å; K80-E103 WeakPolarHBondContact CE-OE2 3.24Å; K80-E103 VanDerWaalsContact NZ-CD 3.3Å; K80-E103 IonicContact NZ-OE1 2.66Å; K80-E103 PolarHBondContact NZ-OE1 3.34Å; K80-E103 IonicContact NZ-OE2 3.26Å; K80-E103 PolarHBondContact NZ-OE2 2.78Å; L101-E103 HydrophobicContact CD2-CB 4.41Å; E103-L108 HydrophobicContact CB-CD2 3.91Å; E103-L108 HydrophobicContact CG-CD2 3.71Å
104S89.7Confident93.5Very high18 Ų1838.5 Ų38.513%0.12619%0.189CC..  trans-110.3177.8169.786.40000110.6K61 E106 S107K61-S104 PolarHBondContact NZ-O 2.99Å; S104-E106 PolarHBondContact O-N 3.26Å; S104-E106 PolarHBondContact OG-N 3.14Å; S104-S107 PolarHBondContact N-O 2.95Å; S104-S107 PolarHBondContact OG-N 3.02Å; S104-S107 PolarHBondContact OG-O 3.08Å; S104-S107 PolarHBondContact OG-OG 3.27Å
105R86.3Confident93.4Very high247 Ų24739 Ų3993%0.93219%0.191SC*.SBendtrans-62.5-30170.8-68.7-175178.5-176.9-0.3112.4K61K61-R105 WeakPolarHBondContact CD-O 3.32Å
106E87.3Confident93.1Very high82 Ų8243.1 Ų43.138%0.38321%0.209SC..SBendtrans-108.7-15.1-170.1-58.5-172.3138.800114P17 G18 K61 S104P17-E106 HydrophobicContact CB-CB 3.82Å; G18-E106 PolarHBondContact N-OE2 3.4Å; K61-E106 WeakPolarHBondContact CB-O 3.44Å; K61-E106 PolarHBondContact N-O 3.23Å; S104-E106 PolarHBondContact O-N 3.26Å; S104-E106 PolarHBondContact OG-N 3.14Å
107S91.6Very high92.9Very high0 Ų041.9 Ų41.90%020%0.2CC..EExtended strand (participates in β ladder)trans-157.3161.2-170.258.50000114.6N19 V59 S104N19-S107 WeakPolarHBondContact CB-OG 3.32Å; N19-S107 PolarHBondContact ND2-OG 3.17Å; V59-S107 CarbonylContact O-C 3.56Å; V59-S107 WeakPolarHBondContact O-CA 3.32Å; V59-S107 WeakPolarHBondContact O-CB 3.41Å; S104-S107 PolarHBondContact N-O 2.95Å; S104-S107 PolarHBondContact OG-N 3.02Å; S104-S107 PolarHBondContact OG-O 3.08Å; S104-S107 PolarHBondContact OG-OG 3.27Å
108L93.1Very high92.7Very high0 Ų040.6 Ų40.60%019%0.192CC..EExtended strand (participates in β ladder)trans-111136.7160.8-51.6176.1000107.4W40 I58 V59 I76 L79 L101 E103W40-L108 HydrophobicContact CH2-CB 4.23Å; W40-L108 HydrophobicContact CZ3-CB 4.44Å; I58-L108 WeakPolarHBondContact CA-O 3.37Å; V59-L108 HydrophobicContact CB-CB 4.42Å; V59-L108 PolarHBondContact N-O 3.39Å; V59-L108 PolarHBondContact O-N 3.43Å; I76-L108 HydrophobicContact CG1-CD1 4.46Å; I76-L108 HydrophobicContact CG2-CD1 4.22Å; I76-L108 HydrophobicContact CG2-CD2 4.43Å; L79-L108 HydrophobicContact CB-CD1 4.36Å; L79-L108 HydrophobicContact CD1-CD1 4.3Å; L101-L108 HydrophobicContact CD1-CB 4.4Å; L101-L108 HydrophobicContact CD2-CD2 4.33Å; E103-L108 HydrophobicContact CB-CD2 3.91Å; E103-L108 HydrophobicContact CG-CD2 3.71Å
109A94.5Very high92.6Very high0 Ų037.3 Ų37.30%018%0.175CC..EExtended strand (participates in β ladder)trans-144.3149.8174.900000112.9N19 L21 W57 I58 L101 E102N19-A109 HydrophobicContact CB-CB 4.29Å; N19-A109 PolarHBondContact ND2-N 3.1Å; L21-A109 HydrophobicContact CB-CB 4.44Å; L21-A109 HydrophobicContact CD2-CB 3.74Å; W57-A109 WeakPolarHBondContact O-CA 3.38Å; W57-A109 WeakPolarHBondContact O-CB 3.41Å; I58-A109 HydrophobicContact CG1-CB 4.18Å; L101-A109 CarbonylContact C-O 3.34Å; L101-A109 WeakPolarHBondContact CA-O 3.38Å; E102-A109 PolarHBondContact N-O 3.35Å; E102-A109 PolarHBondContact O-N 3.47Å
110Y95.5Very high92.4Very high6 Ų638.4 Ų38.42%0.02418%0.181CC..EExtended strand (participates in β ladder)trans-149.5162.1172.472.1-80.9000111.1W40 I56 W57 V83 L86 V97 T112W40-Y110 HydrophobicContact CD2-CE1 4.12Å; W40-Y110 HydrophobicContact CE3-CD1 4.18Å; W40-Y110 AromaticContact CE3-CE1 3.77Å; W40-Y110 HydrophobicContact CE3-CE1 3.77Å; W40-Y110 AromaticContact CH2-CD1 3.7Å; W40-Y110 HydrophobicContact CH2-CD1 3.7Å; W40-Y110 AromaticContact CH2-CE1 3.6Å; W40-Y110 HydrophobicContact CH2-CE1 3.6Å; W40-Y110 HydrophobicContact CZ2-CD1 4.44Å; W40-Y110 AromaticContact CZ2-CE1 3.91Å; W40-Y110 HydrophobicContact CZ2-CE1 3.91Å; W40-Y110 AromaticContact CZ3-CD1 3.55Å; W40-Y110 HydrophobicContact CZ3-CD1 3.55Å; W40-Y110 AromaticContact CZ3-CE1 3.53Å; W40-Y110 HydrophobicContact CZ3-CE1 3.53Å; I56-Y110 WeakPolarHBondContact CA-O 3.46Å; W57-Y110 HydrophobicContact CB-CD1 3.66Å; W57-Y110 HydrophobicContact CB-CE1 3.42Å; W57-Y110 VanDerWaalsContact CB-CE1 3.42Å; W57-Y110 HydrophobicContact CB-CE2 4.5Å; W57-Y110 HydrophobicContact CB-CG 4.3Å; W57-Y110 AromaticContact CD2-CE1 3.9Å; W57-Y110 HydrophobicContact CD2-CE1 3.9Å; W57-Y110 HydrophobicContact CD2-CE2 4.22Å; W57-Y110 AromaticContact CD2-CZ 3.53Å; W57-Y110 VanDerWaalsContact CD2-OH 3.25Å; W57-Y110 AromaticContact CE3-CE1 3.92Å; W57-Y110 HydrophobicContact CE3-CE1 3.92Å; W57-Y110 AromaticContact CE3-CZ 3.66Å; W57-Y110 HydrophobicContact CG-CD1 4.28Å; W57-Y110 AromaticContact CG-CE1 3.73Å; W57-Y110 HydrophobicContact CG-CE1 3.73Å; W57-Y110 HydrophobicContact CG-CE2 4.12Å; W57-Y110 AromaticContact CG-CZ 3.65Å; W57-Y110 VanDerWaalsContact CZ3-OH 3.27Å; W57-Y110 WeakPolarHBondContact CZ3-OH 3.45Å; W57-Y110 PolarHBondContact N-O 2.79Å; W57-Y110 PolarHBondContact O-N 3.09Å; W57-Y110 VanDerWaalsContact O-N 3.13Å; V83-Y110 HydrophobicContact CG1-CD1 4.16Å; V83-Y110 HydrophobicContact CG1-CD2 3.84Å; V83-Y110 HydrophobicContact CG1-CE1 4.38Å; V83-Y110 HydrophobicContact CG1-CE2 4.06Å; V83-Y110 HydrophobicContact CG1-CG 3.88Å; V83-Y110 HydrophobicContact CG2-CD1 3.83Å; V83-Y110 HydrophobicContact CG2-CE1 3.48Å; V83-Y110 VanDerWaalsContact CG2-CE1 3.48Å; V83-Y110 HydrophobicContact CG2-CE2 4.31Å; V83-Y110 HydrophobicContact CG2-CG 4.39Å; L86-Y110 HydrophobicContact CD2-CE2 4.33Å; V97-Y110 HydrophobicContact CG1-CD2 4.3Å; V97-Y110 HydrophobicContact CG2-CD2 4.23Å; V97-Y110 HydrophobicContact CG2-CE2 4.15Å; Y110-T112 HydrophobicContact CD2-CG2 3.77Å; Y110-T112 HydrophobicContact CE2-CG2 3.39Å
111A95.5Very high92.1Very high0 Ų036.3 Ų36.30%017%0.168CC..EExtended strand (participates in β ladder)trans-111.6142-178.900000112Y25 I56 L98 Q99Y25-A111 HydrophobicContact CE1-CB 4.37Å; Y25-A111 HydrophobicContact CE2-CB 4.32Å; I56-A111 HydrophobicContact CD1-CB 3.54Å; L98-A111 HydrophobicContact CB-CB 4.47Å; L98-A111 PolarHBondContact N-O 3.34Å; Q99-A111 HydrophobicContact CB-CB 3.64Å; Q99-A111 PolarHBondContact N-O 3.28Å; Q99-A111 PolarHBondContact O-N 3.14Å
112T96.2Very high91.7Very high0 Ų035.2 Ų35.20%016%0.163CC..EExtended strand (participates in β ladder)trans-132.3171.1179.857.10000111.1A54 T55 W57 V95 S96 L98 Y110A54-T112 WeakPolarHBondContact CA-O 3.11Å; A54-T112 WeakPolarHBondContact CB-O 3.25Å; T55-T112 PolarHBondContact N-O 3.07Å; T55-T112 PolarHBondContact O-N 3.04Å; T55-T112 PolarHBondContact O-OG1 3.17Å; W57-T112 PolarHBondContact NE1-OG1 3.45Å; V95-T112 HydrophobicContact CG1-CG2 3.73Å; S96-T112 VanDerWaalsContact O-CA 3.31Å; S96-T112 WeakPolarHBondContact O-CA 3.23Å; S96-T112 WeakPolarHBondContact O-CB 3.4Å; L98-T112 WeakPolarHBondContact CD1-O 3.44Å; Y110-T112 HydrophobicContact CD2-CG2 3.77Å; Y110-T112 HydrophobicContact CE2-CG2 3.39Å
113E94.7Very high91.3Very high29 Ų2934.3 Ų34.314%0.13616%0.16CC..SBendtrans-49.1156.1167.673.2-171.99900112.7S96 L115 K185S96-E113 WeakPolarHBondContact CB-OE1 3.27Å; S96-E113 PolarHBondContact N-OE1 3.06Å; S96-E113 PolarHBondContact O-N 3.01Å; S96-E113 VanDerWaalsContact O-N 3.09Å; E113-L115 HydrophobicContact CG-CD2 4.1Å; E113-L115 PolarHBondContact O-N 2.88Å; E113-K185 VanDerWaalsContact OE1-CD 3.3Å; E113-K185 WeakPolarHBondContact OE1-CD 3.28Å; E113-K185 WeakPolarHBondContact OE1-CE 3.49Å; E113-K185 IonicContact OE1-NZ 3.7Å; E113-K185 PolarHBondContact OE1-NZ 3.24Å; E113-K185 WeakPolarHBondContact OE2-CD 3.43Å; E113-K185 WeakPolarHBondContact OE2-CE 3.34Å; E113-K185 IonicContact OE2-NZ 2.7Å; E113-K185 PolarHBondContact OE2-NZ 3.04Å
114P94Very high90.4Very high29 Ų2931.8 Ų31.819%0.18816%0.155CC..  trans-67.2108.7-177.325.8-34.1000112.5E53 R180E53-P114 HydrophobicContact CB-CB 4.07Å; E53-P114 HydrophobicContact CB-CG 4.37Å; P114-R180 PolarHBondContact O-N 3.17Å
115L94.3Very high88.8Confident12 Ų1238.4 Ų38.46%0.06318%0.177CC..EExtended strand (participates in β ladder)trans-89.1156.8176.8-57.9177.7000111.7I31 T55 W57 E113 V177 N179I31-L115 HydrophobicContact CD1-CB 4.09Å; I31-L115 WeakPolarHBondContact CD1-O 3.14Å; T55-L115 HydrophobicContact CG2-CB 4.2Å; T55-L115 HydrophobicContact CG2-CD1 4.13Å; T55-L115 HydrophobicContact CG2-CG 4.36Å; T55-L115 WeakPolarHBondContact OG1-CB 3.33Å; T55-L115 PolarHBondContact OG1-N 3.16Å; W57-L115 HydrophobicContact CZ2-CD1 3.65Å; E113-L115 HydrophobicContact CG-CD2 4.1Å; E113-L115 PolarHBondContact O-N 2.88Å; L115-V177 HydrophobicContact CD1-CB 3.99Å; L115-V177 HydrophobicContact CD1-CG1 4.2Å; L115-V177 HydrophobicContact CD1-CG2 3.81Å; L115-V177 HydrophobicContact CD2-CB 4.34Å; L115-V177 HydrophobicContact CD2-CG2 3.74Å; L115-V177 HydrophobicContact CG-CG2 4.42Å; L115-N179 HydrophobicContact CD2-CB 4.15Å
116F90.6Very high87.2Confident89 Ų8932.7 Ų32.739%0.3917%0.165SC..EExtended strand (participates in β ladder)trans-94.8-48.5172.1175.7-105.3000111.5I31 F139 I178I31-F116 WeakPolarHBondContact CB-O 3.37Å; F116-F139 HydrophobicContact CD1-CE2 4.15Å; F116-F139 HydrophobicContact CD1-CZ 4.07Å; F116-F139 AromaticContact CE1-CD2 3.76Å; F116-F139 HydrophobicContact CE1-CD2 3.76Å; F116-F139 HydrophobicContact CE1-CE1 4.1Å; F116-F139 AromaticContact CE1-CE2 3.23Å; F116-F139 HydrophobicContact CE1-CE2 3.23Å; F116-F139 HydrophobicContact CE1-CG 4.34Å; F116-F139 AromaticContact CE1-CZ 3.42Å; F116-F139 HydrophobicContact CE1-CZ 3.42Å; F116-F139 VanDerWaalsContact CE1-CZ 3.42Å; F116-F139 AromaticContact CZ-CD2 3.82Å; F116-F139 HydrophobicContact CZ-CD2 3.82Å; F116-F139 AromaticContact CZ-CE2 3.65Å; F116-F139 HydrophobicContact CZ-CE2 3.65Å; F116-F139 HydrophobicContact CZ-CZ 4.28Å; F116-I178 WeakPolarHBondContact CA-O 3.43Å; F116-I178 WeakPolarHBondContact CB-O 3.27Å; F116-I178 PolarHBondContact N-O 2.93Å
117T91.5Very high84.9Confident13 Ų1332.7 Ų32.78%0.0817%0.174CC..EExtended strand (participates in β ladder)trans-170.7-178.9178.1-162.30000111.1I31 S121 V122 I178I31-T117 WeakPolarHBondContact O-CB 3.49Å; I31-T117 PolarHBondContact O-OG1 3.15Å; T117-S121 WeakPolarHBondContact OG1-CB 3.19Å; T117-V122 HydrophobicContact CG2-CG2 3.45Å; T117-V122 VanDerWaalsContact CG2-CG2 3.45Å; T117-I178 PolarHBondContact N-O 3.4Å; T117-I178 PolarHBondContact O-N 3.35Å
118S91.9Very high82.2Confident0 Ų037 Ų370%020%0.204CC..EExtended strand (participates in β ladder)trans-98.3153.1167.970.50000112.1Q33 T34 N120 S121 V122Q33-S118 WeakPolarHBondContact O-CB 3.41Å; Q33-S118 PolarHBondContact O-OG 3.32Å; T34-S118 WeakPolarHBondContact OG1-CB 3.34Å; S118-N120 VanDerWaalsContact C-N 3.25Å; S118-N120 PolarHBondContact O-N 3.42Å; S118-S121 WeakPolarHBondContact O-CB 3.32Å; S118-S121 PolarHBondContact O-N 2.91Å; S118-S121 WeakPolarHBondContact OG-CB 3.29Å; S118-S121 PolarHBondContact OG-N 3.37Å; S118-S121 VanDerWaalsContact OG-N 3.09Å; S118-S121 PolarHBondContact OG-OG 3.06Å; S118-V122 PolarHBondContact O-N 3.33Å
119L91.7Very high79.3Confident0 Ų047.1 Ų47.10%025%0.248CC..Hα-helixtrans-62.2-36.4177.1-174.461.1000111.3S121 V122 L123 L141 V176 I178 W184 L248 L252L119-S121 PolarHBondContact O-N 2.87Å; L119-V122 PolarHBondContact O-N 2.86Å; L119-L123 HydrophobicContact CD1-CD1 4.33Å; L119-L123 HydrophobicContact CG-CD1 4.05Å; L119-L123 WeakPolarHBondContact O-CG 3.42Å; L119-L123 PolarHBondContact O-N 3.13Å; L119-L123 VanDerWaalsContact O-N 3.13Å; L119-L141 HydrophobicContact CD1-CD1 3.76Å; L119-V176 HydrophobicContact CB-CB 3.95Å; L119-V176 HydrophobicContact CB-CG1 4.12Å; L119-V176 WeakPolarHBondContact CB-O 3.44Å; L119-V176 HydrophobicContact CD2-CB 3.86Å; L119-V176 HydrophobicContact CD2-CG1 3.9Å; L119-V176 HydrophobicContact CD2-CG2 4.33Å; L119-V176 PolarHBondContact N-O 3.3Å; L119-I178 HydrophobicContact CD1-CD1 4.39Å; L119-W184 HydrophobicContact CD1-CH2 3.7Å; L119-W184 HydrophobicContact CD1-CZ2 3.79Å; L119-W184 HydrophobicContact CD1-CZ3 4.26Å; L119-W184 HydrophobicContact CD2-CE3 4.14Å; L119-W184 HydrophobicContact CD2-CH2 3.83Å; L119-W184 HydrophobicContact CD2-CZ3 3.56Å; L119-W184 HydrophobicContact CG-CH2 4.43Å; L119-L248 HydrophobicContact CD2-CD1 4.33Å; L119-L252 HydrophobicContact CD1-CD2 3.95Å; L119-L252 HydrophobicContact CD2-CD2 4.11Å; L119-L252 HydrophobicContact CG-CD2 4.32Å
120N89Confident76.4Confident39 Ų3953.3 Ų53.321%0.20929%0.285CS..Hα-helixtrans-56.9-46170.2-165.242.4000112.5S38 S118 V122 L123 A124 P173 E174S38-N120 PolarHBondContact OG-ND2 3.33Å; S118-N120 VanDerWaalsContact C-N 3.25Å; S118-N120 PolarHBondContact O-N 3.42Å; N120-V122 PolarHBondContact O-N 3.39Å; N120-L123 PolarHBondContact O-N 3.33Å; N120-A124 WeakPolarHBondContact O-CB 3.35Å; N120-A124 PolarHBondContact O-N 3.14Å; N120-P173 HydrophobicContact CB-CB 4.12Å; N120-P173 PolarHBondContact N-O 3.13Å; N120-E174 HydrophobicContact CB-CG 4.09Å
121S87.4Confident73.3Confident23 Ų2357 Ų5716%0.16133%0.325CS..Hα-helixtrans-65.4-26.4-179.9-57.10000113.2G32 Q33 T117 S118 L119 R125G32-S121 VanDerWaalsContact CA-OG 3.24Å; G32-S121 WeakPolarHBondContact CA-OG 3.27Å; Q33-S121 PolarHBondContact N-OG 2.92Å; Q33-S121 PolarHBondContact O-OG 3.42Å; T117-S121 WeakPolarHBondContact OG1-CB 3.19Å; S118-S121 WeakPolarHBondContact O-CB 3.32Å; S118-S121 PolarHBondContact O-N 2.91Å; S118-S121 WeakPolarHBondContact OG-CB 3.29Å; S118-S121 PolarHBondContact OG-N 3.37Å; S118-S121 VanDerWaalsContact OG-N 3.09Å; S118-S121 PolarHBondContact OG-OG 3.06Å; L119-S121 PolarHBondContact O-N 2.87Å; S121-R125 WeakPolarHBondContact O-CG 3.43Å
122V86.7Confident70.6Confident18 Ų1864.5 Ų64.511%0.10936%0.36CS..Hα-helixtrans-74.1-45174176.60000110.9T117 S118 L119 N120 F139 L141 I178T117-V122 HydrophobicContact CG2-CG2 3.45Å; T117-V122 VanDerWaalsContact CG2-CG2 3.45Å; S118-V122 PolarHBondContact O-N 3.33Å; L119-V122 PolarHBondContact O-N 2.86Å; N120-V122 PolarHBondContact O-N 3.39Å; V122-F139 HydrophobicContact CB-CE1 4.34Å; V122-F139 HydrophobicContact CG1-CD1 3.88Å; V122-F139 HydrophobicContact CG1-CE1 3.8Å; V122-F139 HydrophobicContact CG2-CD1 3.97Å; V122-F139 HydrophobicContact CG2-CE1 3.53Å; V122-L141 HydrophobicContact CG1-CD1 3.76Å; V122-L141 HydrophobicContact CG1-CG 4.09Å; V122-I178 HydrophobicContact CG2-CD1 4.34Å
123L85.1Confident67.3Low25 Ų2570 Ų7013%0.13140%0.399CS..Hα-helixtrans-80.1-33.9-173.7-62.5170000113.2L119 N120 R125 P173 L252L119-L123 HydrophobicContact CD1-CD1 4.33Å; L119-L123 HydrophobicContact CG-CD1 4.05Å; L119-L123 WeakPolarHBondContact O-CG 3.42Å; L119-L123 PolarHBondContact O-N 3.13Å; L119-L123 VanDerWaalsContact O-N 3.13Å; N120-L123 PolarHBondContact O-N 3.33Å; L123-R125 VanDerWaalsContact C-N 3.28Å; L123-R125 PolarHBondContact O-N 2.87Å; L123-P173 HydrophobicContact CD1-CB 4.24Å; L123-P173 HydrophobicContact CD1-CG 4.4Å; L123-L252 HydrophobicContact CD1-CD2 3.97Å; L123-L252 HydrophobicContact CD2-CD2 4.33Å
124A71.6Confident64.4Low38 Ų3875.6 Ų75.631%0.31443%0.429SS..G310 helixtrans-73.8-13.5-174.400000114.6N120 D126 S127N120-A124 WeakPolarHBondContact O-CB 3.35Å; N120-A124 PolarHBondContact O-N 3.14Å; A124-D126 PolarHBondContact O-N 2.91Å; A124-D126 VanDerWaalsContact O-N 3.15Å; A124-S127 PolarHBondContact O-N 3.32Å
125R57.7Low61.4Low157 Ų15783.8 Ų83.859%0.59247%0.465SS*.G310 helixtrans-57.1-29.7-175.2-85.2172.4166.9-148.3-8.3114.3S121 L123 S127 M137S121-R125 WeakPolarHBondContact O-CG 3.43Å; L123-R125 VanDerWaalsContact C-N 3.28Å; L123-R125 PolarHBondContact O-N 2.87Å; R125-S127 PolarHBondContact O-N 2.88Å; R125-M137 PolarHBondContact NH1-O 2.97Å; R125-M137 VanDerWaalsContact NH1-O 3.15Å
126D50.7Low58.6Low127 Ų12787.4 Ų87.468%0.67949%0.491SS*.G310 helixtrans-73.8-9.6177.9-79.32.9000113.8A124A124-D126 PolarHBondContact O-N 2.91Å; A124-D126 VanDerWaalsContact O-N 3.15Å
127S40.7Very low56.2Low82 Ų8290.3 Ų90.357%0.57351%0.508SS*.THydrogen-bonded Turntrans-115.1-16.5-159.7-60.60000117.3A124 R125A124-S127 PolarHBondContact O-N 3.32Å; R125-S127 PolarHBondContact O-N 2.88Å
128S35Very low54.3Low91 Ų9198.2 Ų98.264%0.63655%0.55SS*.  trans-147.8129.5-172.450.70000116.1V130S128-V130 PolarHBondContact O-N 3.16Å
129K30.7Very low53.3Low212 Ų212100 Ų10092%0.92256%0.557SS**  trans-82.693.7-179.6-63.6176.3178.5178.70111.8
130V33.5Very low52.7Low130 Ų130104.5 Ų104.579%0.78859%0.589SS**  trans-14190165.3-168.80000113.2S128 Q132S128-V130 PolarHBondContact O-N 3.16Å; V130-Q132 PolarHBondContact O-N 3.14Å; V130-Q132 VanDerWaalsContact O-N 3.08Å
131G32Very low52.6Low83 Ų83103.8 Ų103.886%0.85659%0.585SS**  65.821.2127.500000121.5
132Q38Very low52.6Low157 Ų157104.5 Ų104.573%0.73459%0.59SS**  trans-118.596.3167.7-69.2-171.413.800111.7V130 D134V130-Q132 PolarHBondContact O-N 3.14Å; V130-Q132 VanDerWaalsContact O-N 3.08Å; Q132-D134 PolarHBondContact O-N 3.38Å
133S27.1Very low52.6Low116 Ų116108.4 Ų108.481%0.81161%0.611SS**  trans-79100.4162.853.60000109.2
134D33.2Very low52.7Low146 Ų146108.4 Ų108.478%0.78161%0.611SS**  trans-148.5130.6162-98.2-31.6000109.2Q132 S136Q132-D134 PolarHBondContact O-N 3.38Å; D134-S136 VanDerWaalsContact C-N 3.28Å; D134-S136 PolarHBondContact O-N 2.86Å
135E32Very low53.6Low202 Ų202107.1 Ų107.194%0.94460%0.599SS**  trans-76.162.7-167.2-58.8172.4122.200112.6
136S34.3Very low55.1Low87 Ų87100.3 Ų100.361%0.60857%0.574SS**  trans-146.4102.6-170.6-75.80000116.3D134D134-S136 VanDerWaalsContact C-N 3.28Å; D134-S136 PolarHBondContact O-N 2.86Å
137M40.8Very low57Low150 Ų15095.8 Ų95.874%0.73955%0.549SS*.  trans77.5102160.1-56-66.6-161.100117.7R125 F139R125-M137 PolarHBondContact NH1-O 2.97Å; R125-M137 VanDerWaalsContact NH1-O 3.15Å; M137-F139 HydrophobicContact CB-CB 4.42Å; M137-F139 PolarHBondContact O-N 3.06Å
138D51.6Low59.3Low179 Ų17992 Ų9296%0.95752%0.522SS*.  trans-59.780.7150.1-77.1-27.2000109.6
139F70.4Confident62.1Low37 Ų3787.7 Ų87.716%0.16249%0.491CS..  trans-96.1106.6-176.4-175.6-87.2000110.2F116 V122 M137 L141F116-F139 HydrophobicContact CD1-CE2 4.15Å; F116-F139 HydrophobicContact CD1-CZ 4.07Å; F116-F139 AromaticContact CE1-CD2 3.76Å; F116-F139 HydrophobicContact CE1-CD2 3.76Å; F116-F139 HydrophobicContact CE1-CE1 4.1Å; F116-F139 AromaticContact CE1-CE2 3.23Å; F116-F139 HydrophobicContact CE1-CE2 3.23Å; F116-F139 HydrophobicContact CE1-CG 4.34Å; F116-F139 AromaticContact CE1-CZ 3.42Å; F116-F139 HydrophobicContact CE1-CZ 3.42Å; F116-F139 VanDerWaalsContact CE1-CZ 3.42Å; F116-F139 AromaticContact CZ-CD2 3.82Å; F116-F139 HydrophobicContact CZ-CD2 3.82Å; F116-F139 AromaticContact CZ-CE2 3.65Å; F116-F139 HydrophobicContact CZ-CE2 3.65Å; F116-F139 HydrophobicContact CZ-CZ 4.28Å; V122-F139 HydrophobicContact CB-CE1 4.34Å; V122-F139 HydrophobicContact CG1-CD1 3.88Å; V122-F139 HydrophobicContact CG1-CE1 3.8Å; V122-F139 HydrophobicContact CG2-CD1 3.97Å; V122-F139 HydrophobicContact CG2-CE1 3.53Å; M137-F139 HydrophobicContact CB-CB 4.42Å; M137-F139 PolarHBondContact O-N 3.06Å; F139-L141 HydrophobicContact CE1-CG 4.39Å
140S79.7Confident65Low95 Ų9577.7 Ų77.766%0.66445%0.448SS*.  trans-114151.8167.654.40000110.5R352S140-R352 PolarHBondContact O-NH2 2.9Å
141L85.5Confident67.8Low24 Ų2471.5 Ų71.513%0.12641%0.411CS..  trans-89.4126.2169.7-74.5159.7000108.5L119 V122 F139 E145 I146 I178 W184L119-L141 HydrophobicContact CD1-CD1 3.76Å; V122-L141 HydrophobicContact CG1-CD1 3.76Å; V122-L141 HydrophobicContact CG1-CG 4.09Å; F139-L141 HydrophobicContact CE1-CG 4.39Å; L141-E145 HydrophobicContact CD2-CB 4.03Å; L141-I146 HydrophobicContact CB-CD1 4.22Å; L141-I146 HydrophobicContact CB-CG1 3.86Å; L141-I178 HydrophobicContact CD1-CD1 4.48Å; L141-I178 HydrophobicContact CD2-CD1 4.3Å; L141-W184 HydrophobicContact CD1-CZ2 4.02Å; L141-W184 HydrophobicContact CD2-CZ2 4.38Å
142S87.3Confident70.7Confident38 Ų3867.5 Ų67.527%0.26637%0.37SS..  trans-75.1156170.1600000111.4T144 E145 I146 P350S142-T144 PolarHBondContact O-N 3.38Å; S142-T144 VanDerWaalsContact O-N 3.14Å; S142-E145 PolarHBondContact N-OE2 2.98Å; S142-E145 WeakPolarHBondContact O-CA 3.23Å; S142-E145 WeakPolarHBondContact O-CB 3.45Å; S142-E145 PolarHBondContact O-N 2.93Å; S142-E145 VanDerWaalsContact OG-CG 3.29Å; S142-E145 WeakPolarHBondContact OG-CG 3.46Å; S142-E145 PolarHBondContact OG-OE2 3.48Å; S142-I146 PolarHBondContact O-N 2.87Å; S142-P350 WeakPolarHBondContact OG-CG 3.35Å
143D86.7Confident73.4Confident101 Ų10160 Ų6054%0.5434%0.335SS..Hα-helixtrans-52.9-39178.4-64.1-12.7000112.8E145 I146 K147D143-E145 VanDerWaalsContact C-N 3.33Å; D143-E145 PolarHBondContact O-N 3.38Å; D143-I146 PolarHBondContact O-N 3.35Å; D143-K147 WeakPolarHBondContact O-CB 3.43Å; D143-K147 WeakPolarHBondContact O-CG 3.35Å; D143-K147 PolarHBondContact O-N 2.95Å
144T88.3Confident76.5Confident24 Ų2454.5 Ų54.515%0.14730%0.296CS..Hα-helixtrans-63.4-37.7176.6-55.40000111.9S142 Y148 M318 L321 L349 P350 L353S142-T144 PolarHBondContact O-N 3.38Å; S142-T144 VanDerWaalsContact O-N 3.14Å; T144-Y148 VanDerWaalsContact O-CB 3.27Å; T144-Y148 WeakPolarHBondContact O-CB 3.42Å; T144-Y148 PolarHBondContact O-N 3.4Å; T144-M318 HydrophobicContact CG2-CE 3.69Å; T144-M318 WeakPolarHBondContact O-CE 3.22Å; T144-L321 HydrophobicContact CG2-CD1 4.35Å; T144-L349 HydrophobicContact CG2-CD2 4.17Å; T144-P350 HydrophobicContact CG2-CG 4.3Å; T144-L353 HydrophobicContact CG2-CD1 4.08Å
145E89.9Confident79.3Confident11 Ų1150 Ų505%0.05127%0.27CS..Hα-helixtrans-72.4-35.8176.4-69.3161.2149.600111.9L141 S142 D143 G149 P350 R352 L353L141-E145 HydrophobicContact CD2-CB 4.03Å; S142-E145 PolarHBondContact N-OE2 2.98Å; S142-E145 WeakPolarHBondContact O-CA 3.23Å; S142-E145 WeakPolarHBondContact O-CB 3.45Å; S142-E145 PolarHBondContact O-N 2.93Å; S142-E145 VanDerWaalsContact OG-CG 3.29Å; S142-E145 WeakPolarHBondContact OG-CG 3.46Å; S142-E145 PolarHBondContact OG-OE2 3.48Å; D143-E145 VanDerWaalsContact C-N 3.33Å; D143-E145 PolarHBondContact O-N 3.38Å; E145-G149 PolarHBondContact O-N 3.48Å; E145-P350 HydrophobicContact CG-CG 4.37Å; E145-R352 IonicContact OE1-CZ 2.59Å; E145-R352 IonicContact OE1-NE 3.46Å; E145-R352 PolarHBondContact OE1-NE 3.2Å; E145-R352 IonicContact OE1-NH2 2.74Å; E145-R352 PolarHBondContact OE1-NH2 3.25Å; E145-R352 VanDerWaalsContact OE1-NH2 3.08Å; E145-R352 IonicContact OE2-CZ 3.77Å; E145-R352 IonicContact OE2-NE 3.76Å; E145-R352 IonicContact OE2-NH2 3.15Å; E145-R352 PolarHBondContact OE2-NH2 3.24Å; E145-L353 HydrophobicContact CG-CD1 3.65Å; E145-L353 HydrophobicContact CG-CD2 4.07Å; E145-L353 HydrophobicContact CG-CG 3.69Å
146I90.5Very high82.3Confident15 Ų1540.3 Ų40.38%0.07723%0.225CC..Hα-helixtrans-66.5-50.8173.5-61.5174.1000110.3L141 S142 D143 Y148 G149 L150 L252 F253L141-I146 HydrophobicContact CB-CD1 4.22Å; L141-I146 HydrophobicContact CB-CG1 3.86Å; S142-I146 PolarHBondContact O-N 2.87Å; D143-I146 PolarHBondContact O-N 3.35Å; I146-Y148 VanDerWaalsContact C-N 3.33Å; I146-Y148 PolarHBondContact O-N 2.91Å; I146-G149 PolarHBondContact O-N 3.14Å; I146-L150 HydrophobicContact CG2-CD1 4.03Å; I146-L150 HydrophobicContact CG2-CG 4.5Å; I146-L150 WeakPolarHBondContact O-CB 3.29Å; I146-L150 VanDerWaalsContact O-CG 3.31Å; I146-L150 WeakPolarHBondContact O-CG 3.37Å; I146-L150 PolarHBondContact O-N 2.95Å; I146-L252 HydrophobicContact CG2-CB 4.37Å; I146-L252 HydrophobicContact CG2-CD1 4.32Å; I146-F253 HydrophobicContact CG2-CE2 4.34Å; I146-F253 HydrophobicContact CG2-CZ 4.19Å
147K89.6Confident85.2Confident32 Ų3236.2 Ų36.214%0.13920%0.196CC..Hα-helixtrans-53.4-49.3176.2-73173.8175177.80111.3D143 L150 V151 F313 D315 M318D143-K147 WeakPolarHBondContact O-CB 3.43Å; D143-K147 WeakPolarHBondContact O-CG 3.35Å; D143-K147 PolarHBondContact O-N 2.95Å; K147-L150 PolarHBondContact O-N 3.33Å; K147-V151 WeakPolarHBondContact O-CG2 3.26Å; K147-V151 PolarHBondContact O-N 3.3Å; K147-V151 VanDerWaalsContact O-N 3.08Å; K147-F313 HydrophobicContact CB-CD1 4.27Å; K147-F313 HydrophobicContact CB-CE1 4.09Å; K147-F313 HydrophobicContact CB-CE2 4.4Å; K147-F313 HydrophobicContact CB-CG 4.48Å; K147-F313 HydrophobicContact CB-CZ 4.11Å; K147-F313 HydrophobicContact CD-CD1 4.34Å; K147-F313 HydrophobicContact CD-CE1 4.36Å; K147-F313 HydrophobicContact CG-CD1 3.96Å; K147-F313 HydrophobicContact CG-CE1 3.59Å; K147-F313 HydrophobicContact CG-CZ 3.98Å; K147-F313 WeakPolarHBondContact O-CE2 3.34Å; K147-D315 IonicContact NZ-OD2 3.41Å; K147-D315 PolarHBondContact NZ-OD2 3.32Å; K147-M318 HydrophobicContact CB-CE 3.7Å; K147-M318 HydrophobicContact CB-SD 3.81Å; K147-M318 HydrophobicContact CD-CE 4.26Å
148Y89.9Confident87.7Confident2 Ų232 Ų321%0.00818%0.177CC..Hα-helixtrans-69.9-39.1-178.6179.8-128.1000112.4T144 I146 L150 V151 Q152 L321 D325 L353 R357T144-Y148 VanDerWaalsContact O-CB 3.27Å; T144-Y148 WeakPolarHBondContact O-CB 3.42Å; T144-Y148 PolarHBondContact O-N 3.4Å; I146-Y148 VanDerWaalsContact C-N 3.33Å; I146-Y148 PolarHBondContact O-N 2.91Å; Y148-L150 VanDerWaalsContact C-N 3.31Å; Y148-L150 PolarHBondContact O-N 2.98Å; Y148-V151 WeakPolarHBondContact O-CB 3.45Å; Y148-V151 PolarHBondContact O-N 3.49Å; Y148-Q152 HydrophobicContact CE2-CG 4.25Å; Y148-Q152 WeakPolarHBondContact O-CG 3.35Å; Y148-Q152 PolarHBondContact O-N 2.91Å; Y148-Q152 PolarHBondContact OH-NE2 2.86Å; Y148-L321 HydrophobicContact CD1-CD1 4Å; Y148-L321 HydrophobicContact CD2-CB 3.78Å; Y148-L321 HydrophobicContact CD2-CD1 4Å; Y148-L321 HydrophobicContact CD2-CG 4.48Å; Y148-L321 HydrophobicContact CE1-CD1 4.49Å; Y148-L321 HydrophobicContact CE1-CD2 4.42Å; Y148-L321 HydrophobicContact CE2-CB 3.62Å; Y148-L321 HydrophobicContact CG-CB 4.33Å; Y148-L321 HydrophobicContact CG-CD1 3.73Å; Y148-D325 PolarHBondContact OH-OD1 3.1Å; Y148-D325 PolarHBondContact OH-OD2 3.39Å; Y148-L353 HydrophobicContact CD1-CD2 4.28Å; Y148-R357 HydrophobicContact CE1-CG 4.42Å; Y148-R357 PolarHBondContact OH-NE 3.32Å
149G92.7Very high89.7Confident0 Ų025.5 Ų25.50%014%0.14CC..Hα-helixtrans-59-40.617200000113.1E145 I146 Q152 L153 W184E145-G149 PolarHBondContact O-N 3.48Å; I146-G149 PolarHBondContact O-N 3.14Å; G149-Q152 WeakPolarHBondContact O-CB 3.38Å; G149-Q152 PolarHBondContact O-N 3.39Å; G149-L153 WeakPolarHBondContact O-CG 3.35Å; G149-L153 PolarHBondContact O-N 3.01Å; G149-W184 VanDerWaalsContact CA-CD2 3.41Å
150L92.7Very high90.9Very high2 Ų223.7 Ų23.71%0.0113%0.132CC..Hα-helixtrans-66.3-36.1174.6-71.4171000113.1I146 K147 Y148 Q152 L153 A154 L245 I249 L252 F313I146-L150 HydrophobicContact CG2-CD1 4.03Å; I146-L150 HydrophobicContact CG2-CG 4.5Å; I146-L150 WeakPolarHBondContact O-CB 3.29Å; I146-L150 VanDerWaalsContact O-CG 3.31Å; I146-L150 WeakPolarHBondContact O-CG 3.37Å; I146-L150 PolarHBondContact O-N 2.95Å; K147-L150 PolarHBondContact O-N 3.33Å; Y148-L150 VanDerWaalsContact C-N 3.31Å; Y148-L150 PolarHBondContact O-N 2.98Å; L150-Q152 VanDerWaalsContact C-N 3.34Å; L150-L153 PolarHBondContact O-N 3.49Å; L150-A154 PolarHBondContact O-N 2.95Å; L150-L245 HydrophobicContact CD2-CD1 4.27Å; L150-I249 HydrophobicContact CD1-CG1 3.89Å; L150-I249 HydrophobicContact CD2-CD1 4.35Å; L150-I249 HydrophobicContact CD2-CG1 3.53Å; L150-I249 HydrophobicContact CG-CG1 4.35Å; L150-L252 HydrophobicContact CD2-CD1 3.86Å; L150-L252 HydrophobicContact CG-CD1 4.35Å; L150-F313 HydrophobicContact CB-CE2 3.83Å; L150-F313 HydrophobicContact CB-CZ 4.42Å; L150-F313 HydrophobicContact CD1-CE2 4.23Å; L150-F313 HydrophobicContact CD1-CZ 3.99Å
151V91.1Very high91.5Very high0 Ų020.5 Ų20.50%011%0.107CC..Hα-helixtrans-60.1-45.2170.3169.50000110.6K147 Y148 L153 A154 E155 P311 F313 M318K147-V151 WeakPolarHBondContact O-CG2 3.26Å; K147-V151 PolarHBondContact O-N 3.3Å; K147-V151 VanDerWaalsContact O-N 3.08Å; Y148-V151 WeakPolarHBondContact O-CB 3.45Å; Y148-V151 PolarHBondContact O-N 3.49Å; V151-L153 VanDerWaalsContact C-N 3.35Å; V151-L153 PolarHBondContact O-N 2.91Å; V151-A154 WeakPolarHBondContact O-CB 3.28Å; V151-A154 PolarHBondContact O-N 3.25Å; V151-E155 VanDerWaalsContact CG1-OE1 3.31Å; V151-E155 WeakPolarHBondContact CG1-OE1 3.38Å; V151-E155 WeakPolarHBondContact O-CG 3.33Å; V151-E155 PolarHBondContact O-N 3.39Å; V151-P311 HydrophobicContact CG1-CB 4.44Å; V151-F313 HydrophobicContact CG2-CB 4.3Å; V151-F313 HydrophobicContact CG2-CD2 3.64Å; V151-F313 HydrophobicContact CG2-CE2 4.44Å; V151-F313 HydrophobicContact CG2-CG 4.42Å; V151-M318 HydrophobicContact CG2-SD 4.4Å
152Q92.8Very high91.8Very high0 Ų022.6 Ų22.60%012%0.123CC..Hα-helixtrans-65.8-35179.7-66.4176.9-23.800112.9K93 Y148 G149 L150 A156K93-Q152 WeakPolarHBondContact CB-O 3.4Å; K93-Q152 HydrophobicContact CD-CB 3.99Å; K93-Q152 HydrophobicContact CD-CG 3.99Å; K93-Q152 HydrophobicContact CG-CB 4.34Å; Y148-Q152 HydrophobicContact CE2-CG 4.25Å; Y148-Q152 WeakPolarHBondContact O-CG 3.35Å; Y148-Q152 PolarHBondContact O-N 2.91Å; Y148-Q152 PolarHBondContact OH-NE2 2.86Å; G149-Q152 WeakPolarHBondContact O-CB 3.38Å; G149-Q152 PolarHBondContact O-N 3.39Å; L150-Q152 VanDerWaalsContact C-N 3.34Å; Q152-A156 WeakPolarHBondContact O-CB 3.34Å; Q152-A156 PolarHBondContact O-N 3.44Å
153L94.9Very high92Very high0 Ų025.8 Ų25.80%014%0.137CC..Hα-helixtrans-69.8-38.3172.1-67.5179.9000112.3G149 L150 V151 A156 L157 V176 W184 L186 L248G149-L153 WeakPolarHBondContact O-CG 3.35Å; G149-L153 PolarHBondContact O-N 3.01Å; L150-L153 PolarHBondContact O-N 3.49Å; V151-L153 VanDerWaalsContact C-N 3.35Å; V151-L153 PolarHBondContact O-N 2.91Å; L153-A156 PolarHBondContact O-N 3.03Å; L153-L157 WeakPolarHBondContact O-CG 3.15Å; L153-L157 PolarHBondContact O-N 3.4Å; L153-V176 HydrophobicContact CD1-CG1 4.43Å; L153-V176 HydrophobicContact CD1-CG2 3.9Å; L153-V176 HydrophobicContact CD2-CG1 4.14Å; L153-V176 HydrophobicContact CD2-CG2 3.86Å; L153-W184 HydrophobicContact CD1-CE3 3.8Å; L153-W184 HydrophobicContact CD1-CZ3 4.04Å; L153-W184 HydrophobicContact CG-CE3 4.16Å; L153-L186 HydrophobicContact CD2-CB 4.36Å; L153-L186 HydrophobicContact CD2-CD1 4.43Å; L153-L248 HydrophobicContact CD1-CD2 3.74Å
154A93.3Very high92.2Very high0 Ų022.8 Ų22.80%012%0.123CC..Hα-helixtrans-62-45.7173.700000111.2L150 V151 A156 L157 N158 Y312L150-A154 PolarHBondContact O-N 2.95Å; V151-A154 WeakPolarHBondContact O-CB 3.28Å; V151-A154 PolarHBondContact O-N 3.25Å; A154-A156 VanDerWaalsContact C-N 3.33Å; A154-A156 PolarHBondContact O-N 2.96Å; A154-L157 PolarHBondContact O-N 3.26Å; A154-N158 WeakPolarHBondContact O-CB 3.35Å; A154-N158 PolarHBondContact O-N 3.28Å; A154-Y312 HydrophobicContact CB-CE2 3.86Å
155E92.2Very high92.4Very high50 Ų5025.1 Ų25.123%0.23413%0.132CC..Hα-helixtrans-58.6-41.7173.4-71.3166.3-170.800112.1K93 V151 F159K93-E155 WeakPolarHBondContact CE-OE2 3.5Å; K93-E155 HydrophobicContact CG-CB 4.27Å; K93-E155 IonicContact NZ-OE2 3.33Å; V151-E155 VanDerWaalsContact CG1-OE1 3.31Å; V151-E155 WeakPolarHBondContact CG1-OE1 3.38Å; V151-E155 WeakPolarHBondContact O-CG 3.33Å; V151-E155 PolarHBondContact O-N 3.39Å; E155-F159 WeakPolarHBondContact O-CB 3.21Å; E155-F159 PolarHBondContact O-N 3.26Å; E155-F159 VanDerWaalsContact O-N 3.12Å
156A94.8Very high92.6Very high0 Ų026 Ų260%014%0.135CC..Hα-helixtrans-63.8-44.4175.700000112.7K93 I94 Q152 L153 A154 L160 L186K93-A156 HydrophobicContact CB-CB 3.9Å; I94-A156 HydrophobicContact CG1-CB 4.31Å; Q152-A156 WeakPolarHBondContact O-CB 3.34Å; Q152-A156 PolarHBondContact O-N 3.44Å; L153-A156 PolarHBondContact O-N 3.03Å; A154-A156 VanDerWaalsContact C-N 3.33Å; A154-A156 PolarHBondContact O-N 2.96Å; A156-L160 VanDerWaalsContact O-CG 3.31Å; A156-L160 WeakPolarHBondContact O-CG 3.44Å; A156-L160 PolarHBondContact O-N 3.46Å; A156-L186 HydrophobicContact CB-CB 4.25Å; A156-L186 HydrophobicContact CB-CD2 4.24Å
157L94.9Very high92.8Very high0 Ų025.6 Ų25.60%013%0.133CC..Hα-helixtrans-67.9-40.9178-71169.8000111.7L153 A154 F159 L160 H161 H168 L171 L186 D241 M242 L245 A309L153-L157 WeakPolarHBondContact O-CG 3.15Å; L153-L157 PolarHBondContact O-N 3.4Å; A154-L157 PolarHBondContact O-N 3.26Å; L157-F159 VanDerWaalsContact C-N 3.33Å; L157-F159 PolarHBondContact O-N 2.89Å; L157-L160 PolarHBondContact O-N 3.25Å; L157-L160 VanDerWaalsContact O-N 3.1Å; L157-H161 WeakPolarHBondContact O-CB 3.23Å; L157-H161 PolarHBondContact O-N 3.4Å; L157-H168 HydrophobicContact CD2-CB 4.21Å; L157-L171 HydrophobicContact CD1-CD2 3.89Å; L157-L186 HydrophobicContact CD2-CD2 4.3Å; L157-D241 HydrophobicContact CD2-CB 4.15Å; L157-M242 HydrophobicContact CD1-SD 4.47Å; L157-L245 HydrophobicContact CD1-CB 4.38Å; L157-L245 HydrophobicContact CD1-CD1 4.49Å; L157-L245 HydrophobicContact CD1-CD2 4.04Å; L157-A309 HydrophobicContact CB-CB 3.83Å
158N93.4Very high93Very high61 Ų6124 Ų2433%0.32613%0.126SC..Hα-helixtrans-58.8-46.3176.6-167.380.1000111.2A154 L160 H161 C162 A309A154-N158 WeakPolarHBondContact O-CB 3.35Å; A154-N158 PolarHBondContact O-N 3.28Å; N158-L160 VanDerWaalsContact C-N 3.34Å; N158-L160 PolarHBondContact O-N 3.39Å; N158-H161 PolarHBondContact O-N 2.8Å; N158-C162 WeakPolarHBondContact O-CB 3.24Å; N158-C162 PolarHBondContact O-N 2.92Å; N158-C162 PolarHBondContact O-SG 3.05Å; N158-C162 VanDerWaalsContact O-SG 3.37Å; N158-A309 HydrophobicContact CB-CB 3.93Å; N158-A309 WeakPolarHBondContact CB-O 3.49Å
159F94.2Very high93.2Very high43 Ų4324.3 Ų24.319%0.18913%0.128CC..Hα-helixtrans-61.9-39.3174.3174.2-100.8000112.7I89 H91 I94 E155 L157 D163 C164I89-F159 HydrophobicContact CG2-CE1 3.8Å; H91-F159 HydrophobicContact CB-CD1 3.66Å; H91-F159 HydrophobicContact CB-CE1 3.6Å; H91-F159 HydrophobicContact CB-CG 4.33Å; H91-F159 HydrophobicContact CB-CZ 4.23Å; H91-F159 AromaticContact CD2-CD1 3.75Å; H91-F159 AromaticContact CD2-CD2 3.75Å; H91-F159 AromaticContact CD2-CG 3.5Å; H91-F159 AromaticContact CG-CD1 3.61Å; H91-F159 AromaticContact CG-CG 3.84Å; H91-F159 AromaticContact NE2-CG 3.96Å; I94-F159 HydrophobicContact CD1-CD1 4.12Å; I94-F159 HydrophobicContact CD1-CE1 4.43Å; E155-F159 WeakPolarHBondContact O-CB 3.21Å; E155-F159 PolarHBondContact O-N 3.26Å; E155-F159 VanDerWaalsContact O-N 3.12Å; L157-F159 VanDerWaalsContact C-N 3.33Å; L157-F159 PolarHBondContact O-N 2.89Å; F159-D163 WeakPolarHBondContact CA-OD2 3.45Å; F159-D163 HydrophobicContact CD2-CB 3.7Å; F159-D163 WeakPolarHBondContact CD2-OD2 3.33Å; F159-D163 HydrophobicContact CE2-CB 3.77Å; F159-D163 HydrophobicContact CG-CB 4.49Å; F159-D163 WeakPolarHBondContact O-CB 3.48Å; F159-D163 PolarHBondContact O-N 3.26Å; F159-D163 VanDerWaalsContact O-N 3.08Å; F159-C164 WeakPolarHBondContact CE1-SG 3.41Å; F159-C164 VanDerWaalsContact CZ-SG 3.58Å; F159-C164 PolarHBondContact O-N 2.65Å
160L94.4Very high93.3Very high0 Ų024.7 Ų24.70%013%0.13CC..Hα-helixtrans-65.6-44.6175.7-73.8175000112.4I89 I94 A156 L157 N158 C164 H165 R166 H168 L186 F189I89-L160 HydrophobicContact CD1-CD2 3.96Å; I89-L160 HydrophobicContact CG2-CD2 4.22Å; I94-L160 HydrophobicContact CD1-CD1 4.4Å; I94-L160 HydrophobicContact CD1-CD2 3.93Å; I94-L160 HydrophobicContact CD1-CG 4.06Å; A156-L160 VanDerWaalsContact O-CG 3.31Å; A156-L160 WeakPolarHBondContact O-CG 3.44Å; A156-L160 PolarHBondContact O-N 3.46Å; L157-L160 PolarHBondContact O-N 3.25Å; L157-L160 VanDerWaalsContact O-N 3.1Å; N158-L160 VanDerWaalsContact C-N 3.34Å; N158-L160 PolarHBondContact O-N 3.39Å; L160-C164 HydrophobicContact CD2-CB 4.35Å; L160-C164 CarbonylContact O-C 3.56Å; L160-C164 WeakPolarHBondContact O-CB 3.21Å; L160-H165 PolarHBondContact O-N 3.04Å; L160-R166 CarbonylContact C-O 3.41Å; L160-R166 PolarHBondContact O-N 2.97Å; L160-H168 HydrophobicContact CD1-CB 4.26Å; L160-L186 HydrophobicContact CD1-CD2 3.74Å; L160-F189 HydrophobicContact CD1-CE1 3.79Å; L160-F189 HydrophobicContact CD1-CZ 3.93Å; L160-F189 HydrophobicContact CD2-CE1 3.76Å; L160-F189 HydrophobicContact CD2-CZ 4.2Å; L160-F189 HydrophobicContact CG-CE1 4.45Å
161H93.2Very high93.3Very high27 Ų2724.7 Ų24.713%0.12513%0.13CC..Hα-helixtrans-74.6-44.3-176.8-62.5166.3000112.7L157 N158 R166 A238 D241L157-H161 WeakPolarHBondContact O-CB 3.23Å; L157-H161 PolarHBondContact O-N 3.4Å; N158-H161 PolarHBondContact O-N 2.8Å; H161-R166 PolarHBondContact CD2-O 2.89Å; H161-A238 HydrophobicContact CB-CB 4.31Å; H161-A238 PolarHBondContact CE1-O 2.94Å; H161-D241 IonicContact CD2-OD2 3.06Å; H161-D241 IonicContact CE1-OD2 2.71Å; H161-D241 IonicContact NE2-OD2 2.7Å; H161-D241 PolarHBondContact NE2-OD2 2.78Å
162C90.9Very high93.4Very high69 Ų6925 Ų2547%0.46613%0.131SC..Hα-helixtrans-89.2-43.6-172.4-58.10000113.5N158 H165N158-C162 WeakPolarHBondContact O-CB 3.24Å; N158-C162 PolarHBondContact O-N 2.92Å; N158-C162 PolarHBondContact O-SG 3.05Å; N158-C162 VanDerWaalsContact O-SG 3.37Å; C162-H165 PolarHBondContact O-CE1 3.35Å; C162-H165 PolarHBondContact O-NE2 2.94Å
163D91.4Very high93.3Very high105 Ų10526.2 Ų26.256%0.56114%0.14SC*.THydrogen-bonded Turntrans-98.9-37-173.7-55.8-82.5000112.7F159F159-D163 WeakPolarHBondContact CA-OD2 3.45Å; F159-D163 HydrophobicContact CD2-CB 3.7Å; F159-D163 WeakPolarHBondContact CD2-OD2 3.33Å; F159-D163 HydrophobicContact CE2-CB 3.77Å; F159-D163 HydrophobicContact CG-CB 4.49Å; F159-D163 WeakPolarHBondContact O-CB 3.48Å; F159-D163 PolarHBondContact O-N 3.26Å; F159-D163 VanDerWaalsContact O-N 3.08Å
164C91.8Very high93.2Very high37 Ų3727.7 Ų27.725%0.2515%0.147CC..SBendtrans-94.8-9.9179.7-62.50000114F159 L160 R166F159-C164 WeakPolarHBondContact CE1-SG 3.41Å; F159-C164 VanDerWaalsContact CZ-SG 3.58Å; F159-C164 PolarHBondContact O-N 2.65Å; L160-C164 HydrophobicContact CD2-CB 4.35Å; L160-C164 CarbonylContact O-C 3.56Å; L160-C164 WeakPolarHBondContact O-CB 3.21Å; C164-R166 HydrophobicContact CB-CB 4.07Å; C164-R166 PolarHBondContact O-N 3.21Å
165H92.3Very high93.2Very high74 Ų7427.9 Ų27.934%0.34315%0.148SC..  trans43.646.6-172.2-53.7-73.5000112.7L160 C162 V194 A195 Q197L160-H165 PolarHBondContact O-N 3.04Å; C162-H165 PolarHBondContact O-CE1 3.35Å; C162-H165 PolarHBondContact O-NE2 2.94Å; H165-V194 CarbonylContact O-C 3.59Å; H165-V194 WeakPolarHBondContact O-CA 3.31Å; H165-A195 PolarHBondContact O-N 3.42Å; H165-Q197 PolarHBondContact CD2-NE2 2.92Å; H165-Q197 PolarHBondContact CE1-NE2 2.88Å; H165-Q197 VanDerWaalsContact CE1-NE2 3.25Å; H165-Q197 PolarHBondContact ND1-NE2 3.34Å; H165-Q197 PolarHBondContact NE2-NE2 3.12Å
166R93.5Very high93.4Very high29 Ų2925.5 Ų25.511%0.10914%0.137CC..EExtended strand (participates in β ladder)trans-127.8132.1-171.9176.8174.9-67-86.1-3.9110.8L160 H161 C164 S192 K193L160-R166 CarbonylContact C-O 3.41Å; L160-R166 PolarHBondContact O-N 2.97Å; H161-R166 PolarHBondContact CD2-O 2.89Å; C164-R166 HydrophobicContact CB-CB 4.07Å; C164-R166 PolarHBondContact O-N 3.21Å; R166-S192 PolarHBondContact NH1-OG 2.99Å; R166-K193 CarbonylContact C-O 3.42Å; R166-K193 VanDerWaalsContact CA-O 3.26Å; R166-K193 WeakPolarHBondContact CA-O 3.23Å; R166-K193 WeakPolarHBondContact CG-O 3.43Å
167L94.7Very high93.4Very high6 Ų625.5 Ų25.53%0.03114%0.137CC..EExtended strand (participates in β ladder)trans-89.5137.3172.3-49.3-177.7000109.2L169 S192 K193 V206 V236 T237 A238 D241L167-L169 HydrophobicContact CB-CD1 4.06Å; L167-L169 HydrophobicContact CB-CD2 3.89Å; L167-L169 HydrophobicContact CB-CG 3.78Å; L167-L169 HydrophobicContact CD1-CD2 4.48Å; L167-S192 CarbonylContact O-C 3.41Å; L167-S192 WeakPolarHBondContact O-CA 3.41Å; L167-S192 WeakPolarHBondContact O-CB 3.43Å; L167-K193 PolarHBondContact N-O 2.93Å; L167-K193 PolarHBondContact O-N 3.11Å; L167-V206 HydrophobicContact CD1-CB 4.49Å; L167-V206 HydrophobicContact CD1-CG2 4.2Å; L167-V236 HydrophobicContact CD1-CB 4.12Å; L167-V236 HydrophobicContact CD1-CG2 3.77Å; L167-T237 VanDerWaalsContact CD2-C 3.47Å; L167-A238 HydrophobicContact CD2-CB 4.3Å; L167-A238 VanDerWaalsContact CD2-N 3.31Å; L167-D241 WeakPolarHBondContact CA-OD2 3.38Å
168H94.9Very high93.4Very high0 Ų025.5 Ų25.50%014%0.137CC..  trans-81.7-50.1-176.8180-102.6000112.4L157 L160 N170 L171 S175 F189 S192 D241L157-H168 HydrophobicContact CD2-CB 4.21Å; L160-H168 HydrophobicContact CD1-CB 4.26Å; H168-N170 PolarHBondContact CE1-N 2.95Å; H168-N170 PolarHBondContact ND1-N 2.97Å; H168-N170 PolarHBondContact NE2-O 2.93Å; H168-N170 PolarHBondContact O-N 3.42Å; H168-N170 VanDerWaalsContact O-N 3.12Å; H168-L171 WeakPolarHBondContact CE1-CA 3.26Å; H168-L171 WeakPolarHBondContact CE1-CB 3.43Å; H168-L171 PolarHBondContact CE1-N 3.08Å; H168-L171 PolarHBondContact ND1-N 3.01Å; H168-L171 VanDerWaalsContact NE2-CA 3.31Å; H168-L171 WeakPolarHBondContact NE2-CA 3.45Å; H168-L171 PolarHBondContact NE2-N 3.37Å; H168-L171 VanDerWaalsContact NE2-N 3.16Å; H168-S175 WeakPolarHBondContact NE2-CB 3.25Å; H168-S175 PolarHBondContact NE2-OG 3.22Å; H168-F189 AromaticContact CD2-CE1 3.9Å; H168-S192 WeakPolarHBondContact O-CA 3.26Å; H168-D241 PolarHBondContact N-OD1 3.43Å; H168-D241 PolarHBondContact N-OD2 3.39Å
169L93.9Very high93.3Very high8 Ų823 Ų234%0.04212%0.123CC..  trans637.2172.3-50.1176.5000116.8L167 F191 K193 M208 L221 V236 D241L167-L169 HydrophobicContact CB-CD1 4.06Å; L167-L169 HydrophobicContact CB-CD2 3.89Å; L167-L169 HydrophobicContact CB-CG 3.78Å; L167-L169 HydrophobicContact CD1-CD2 4.48Å; L169-F191 HydrophobicContact CB-CB 4.21Å; L169-K193 HydrophobicContact CD1-CB 4.43Å; L169-K193 HydrophobicContact CD1-CG 4.16Å; L169-M208 HydrophobicContact CD1-CG 4.5Å; L169-L221 HydrophobicContact CB-CD2 4.18Å; L169-L221 WeakPolarHBondContact O-CD2 3.43Å; L169-V236 HydrophobicContact CD1-CB 4.3Å; L169-V236 HydrophobicContact CD1-CG1 4.46Å; L169-V236 HydrophobicContact CD1-CG2 3.8Å; L169-V236 HydrophobicContact CD2-CB 3.86Å; L169-V236 HydrophobicContact CD2-CG1 4.05Å; L169-V236 HydrophobicContact CD2-CG2 4.24Å; L169-D241 WeakPolarHBondContact CA-OD1 3.48Å; L169-D241 PolarHBondContact N-OD1 2.77Å
170N93.5Very high92.7Very high7 Ų725.5 Ų25.54%0.03713%0.131CC..  trans-133.428.8177.9-163.619.6000113.6L36 H168 T172 S175 G188 E190 F191L36-N170 WeakPolarHBondContact CD2-ND2 3.5Å; H168-N170 PolarHBondContact CE1-N 2.95Å; H168-N170 PolarHBondContact ND1-N 2.97Å; H168-N170 PolarHBondContact NE2-O 2.93Å; H168-N170 PolarHBondContact O-N 3.42Å; H168-N170 VanDerWaalsContact O-N 3.12Å; N170-T172 PolarHBondContact O-N 3.07Å; N170-T172 PolarHBondContact O-OG1 3.38Å; N170-S175 VanDerWaalsContact O-CB 3.26Å; N170-S175 WeakPolarHBondContact O-CB 3.46Å; N170-S175 PolarHBondContact O-OG 3.39Å; N170-G188 VanDerWaalsContact CB-O 3.28Å; N170-G188 WeakPolarHBondContact CB-O 3.21Å; N170-G188 PolarHBondContact ND2-O 3.39Å; N170-E190 PolarHBondContact ND2-OE2 2.83Å; N170-F191 HydrophobicContact CB-CD2 4Å
171L94.1Very high92.1Very high2 Ų228.8 Ų28.81%0.0115%0.146CC..  trans-72.995.1-170.2-173.266.4000111.8L157 H168 V176 L186 L245 L248L157-L171 HydrophobicContact CD1-CD2 3.89Å; H168-L171 WeakPolarHBondContact CE1-CA 3.26Å; H168-L171 WeakPolarHBondContact CE1-CB 3.43Å; H168-L171 PolarHBondContact CE1-N 3.08Å; H168-L171 PolarHBondContact ND1-N 3.01Å; H168-L171 VanDerWaalsContact NE2-CA 3.31Å; H168-L171 WeakPolarHBondContact NE2-CA 3.45Å; H168-L171 PolarHBondContact NE2-N 3.37Å; H168-L171 VanDerWaalsContact NE2-N 3.16Å; L171-V176 HydrophobicContact CD1-CG2 4.37Å; L171-L186 HydrophobicContact CD1-CD1 3.57Å; L171-L245 HydrophobicContact CD2-CB 3.72Å; L171-L245 HydrophobicContact CD2-CD1 3.97Å; L171-L245 HydrophobicContact CD2-CG 4.44Å; L171-L248 HydrophobicContact CD1-CD2 4.08Å; L171-L248 HydrophobicContact CD2-CD2 4.48Å; L171-L248 HydrophobicContact CG-CD2 3.98Å
172T92.3Very high91.7Very high6 Ų628.2 Ų28.24%0.03715%0.147CC..SBendtrans-133.2164.2-173.855.30000110.4N170 E174 S175 N222 A225N170-T172 PolarHBondContact O-N 3.07Å; N170-T172 PolarHBondContact O-OG1 3.38Å; T172-E174 PolarHBondContact O-N 2.95Å; T172-E174 VanDerWaalsContact O-N 3.13Å; T172-E174 PolarHBondContact OG1-N 3.15Å; T172-S175 PolarHBondContact N-OG 2.92Å; T172-S175 PolarHBondContact O-N 3.42Å; T172-S175 PolarHBondContact O-OG 2.98Å; T172-S175 PolarHBondContact OG1-N 3.23Å; T172-S175 VanDerWaalsContact OG1-N 3.13Å; T172-N222 HydrophobicContact CG2-CB 4.46Å; T172-A225 HydrophobicContact CG2-CB 3.61Å
173P91.9Very high91.7Very high26 Ų2625.8 Ų25.817%0.16913%0.13CC..THydrogen-bonded Turntrans-56.3-25167.8-24.535000113.6N120 L123 L248N120-P173 HydrophobicContact CB-CB 4.12Å; N120-P173 PolarHBondContact N-O 3.13Å; L123-P173 HydrophobicContact CD1-CB 4.24Å; L123-P173 HydrophobicContact CD1-CG 4.4Å; P173-L248 HydrophobicContact CG-CD1 3.79Å
174E91.3Very high91.9Very high32 Ų3221 Ų2115%0.1510%0.103CC..THydrogen-bonded Turntrans-76.2-24.2176-56.6-168.513000113.2T34 G35 G37 S38 N120 T172T34-E174 PolarHBondContact OG1-O 2.72Å; G35-E174 PolarHBondContact N-O 3.38Å; G35-E174 WeakPolarHBondContact O-CB 3.4Å; G35-E174 VanDerWaalsContact O-CD 3.22Å; G35-E174 VanDerWaalsContact O-OE2 3.11Å; G37-E174 PolarHBondContact N-OE2 3.19Å; G37-E174 VanDerWaalsContact N-OE2 3.1Å; S38-E174 WeakPolarHBondContact CB-OE1 3.48Å; S38-E174 PolarHBondContact N-OE1 3.17Å; S38-E174 PolarHBondContact OG-OE1 2.7Å; N120-E174 HydrophobicContact CB-CG 4.09Å; T172-E174 PolarHBondContact O-N 2.95Å; T172-E174 VanDerWaalsContact O-N 3.13Å; T172-E174 PolarHBondContact OG1-N 3.15Å
175S93.8Very high92.1Very high3 Ų319.9 Ų19.92%0.02110%0.095CC..THydrogen-bonded Turntrans-83-14.5176.770.80000114H168 N170 T172 G187H168-S175 WeakPolarHBondContact NE2-CB 3.25Å; H168-S175 PolarHBondContact NE2-OG 3.22Å; N170-S175 VanDerWaalsContact O-CB 3.26Å; N170-S175 WeakPolarHBondContact O-CB 3.46Å; N170-S175 PolarHBondContact O-OG 3.39Å; T172-S175 PolarHBondContact N-OG 2.92Å; T172-S175 PolarHBondContact O-N 3.42Å; T172-S175 PolarHBondContact O-OG 2.98Å; T172-S175 PolarHBondContact OG1-N 3.23Å; T172-S175 VanDerWaalsContact OG1-N 3.13Å; S175-G187 CarbonylContact O-C 3.38Å; S175-G187 WeakPolarHBondContact O-CA 3.29Å; S175-G187 PolarHBondContact O-N 2.98Å
176V95.7Very high92.3Very high0 Ų016.4 Ų16.40%08%0.078CC..EExtended strand (participates in β ladder)trans-106.2125.2-175-1780000110.5L119 L153 L171 W184 L248L119-V176 HydrophobicContact CB-CB 3.95Å; L119-V176 HydrophobicContact CB-CG1 4.12Å; L119-V176 WeakPolarHBondContact CB-O 3.44Å; L119-V176 HydrophobicContact CD2-CB 3.86Å; L119-V176 HydrophobicContact CD2-CG1 3.9Å; L119-V176 HydrophobicContact CD2-CG2 4.33Å; L119-V176 PolarHBondContact N-O 3.3Å; L153-V176 HydrophobicContact CD1-CG1 4.43Å; L153-V176 HydrophobicContact CD1-CG2 3.9Å; L153-V176 HydrophobicContact CD2-CG1 4.14Å; L153-V176 HydrophobicContact CD2-CG2 3.86Å; L171-V176 HydrophobicContact CD1-CG2 4.37Å; V176-W184 HydrophobicContact CG1-CB 4.25Å; V176-W184 HydrophobicContact CG1-CD2 4.18Å; V176-W184 HydrophobicContact CG1-CE3 3.77Å; V176-W184 HydrophobicContact CG1-CG 4.43Å; V176-L248 HydrophobicContact CG2-CD2 4.27Å
177V95.2Very high92.3Very high0 Ų015 Ų150%07%0.074CC..EExtended strand (participates in β ladder)trans-115.8152.9174.2-60.90000111.3T34 L42 W57 V95 L115 W184 K185T34-V177 HydrophobicContact CG2-CG1 4.48Å; L42-V177 HydrophobicContact CD1-CG1 4.43Å; W57-V177 HydrophobicContact CH2-CG1 3.89Å; W57-V177 HydrophobicContact CZ2-CG1 4.03Å; V95-V177 HydrophobicContact CG2-CG2 3.3Å; L115-V177 HydrophobicContact CD1-CB 3.99Å; L115-V177 HydrophobicContact CD1-CG1 4.2Å; L115-V177 HydrophobicContact CD1-CG2 3.81Å; L115-V177 HydrophobicContact CD2-CB 4.34Å; L115-V177 HydrophobicContact CD2-CG2 3.74Å; L115-V177 HydrophobicContact CG-CG2 4.42Å; V177-W184 CarbonylContact O-C 3.58Å; V177-W184 WeakPolarHBondContact O-CA 3.23Å; V177-K185 HydrophobicContact CG2-CB 4.11Å; V177-K185 PolarHBondContact N-O 3.38Å; V177-K185 PolarHBondContact O-N 3.5Å
178I94.1Very high92.2Very high1 Ų115.1 Ų15.11%0.0058%0.076CC..EExtended strand (participates in β ladder)trans-113126.5179.6-54.6176.6000107.3F116 T117 L119 V122 L141 I183 W184F116-I178 WeakPolarHBondContact CA-O 3.43Å; F116-I178 WeakPolarHBondContact CB-O 3.27Å; F116-I178 PolarHBondContact N-O 2.93Å; T117-I178 PolarHBondContact N-O 3.4Å; T117-I178 PolarHBondContact O-N 3.35Å; L119-I178 HydrophobicContact CD1-CD1 4.39Å; V122-I178 HydrophobicContact CG2-CD1 4.34Å; L141-I178 HydrophobicContact CD1-CD1 4.48Å; L141-I178 HydrophobicContact CD2-CD1 4.3Å; I178-I183 WeakPolarHBondContact CA-O 3.41Å; I178-W184 HydrophobicContact CG1-CG 4.33Å
179N91.3Very high92.2Very high8 Ų815.2 Ų15.24%0.0438%0.076CC..EExtended strand (participates in β ladder)trans-81.8171.4176.981.73.2000112.8L115 F181 G182 I183L115-N179 HydrophobicContact CD2-CB 4.15Å; N179-F181 PolarHBondContact O-N 2.95Å; N179-F181 WeakPolarHBondContact OD1-CA 3.4Å; N179-F181 WeakPolarHBondContact OD1-CB 3.41Å; N179-F181 PolarHBondContact OD1-N 3.31Å; N179-G182 PolarHBondContact O-N 2.92Å; N179-G182 PolarHBondContact OD1-N 2.94Å; N179-I183 PolarHBondContact N-O 3.12Å; N179-I183 WeakPolarHBondContact OD1-CB 3.37Å; N179-I183 PolarHBondContact OD1-N 3.41Å
180R82.9Confident92.2Very high95 Ų9515.5 Ų15.536%0.3588%0.077SC..THydrogen-bonded Turntrans-57.6-14.4178.569.6179.5-176178.11.5115.2E53 P114E53-R180 IonicContact OE2-CZ 2.77Å; E53-R180 IonicContact OE2-NH1 3.67Å; E53-R180 PolarHBondContact OE2-NH1 3.3Å; P114-R180 PolarHBondContact O-N 3.17Å
181F81.6Confident92.2Very high69 Ų6915.8 Ų15.830%0.3038%0.078SC..THydrogen-bonded Turntrans-98.44.4178-57.8-64.1000113.7N179 I183 F356N179-F181 PolarHBondContact O-N 2.95Å; N179-F181 WeakPolarHBondContact OD1-CA 3.4Å; N179-F181 WeakPolarHBondContact OD1-CB 3.41Å; N179-F181 PolarHBondContact OD1-N 3.31Å; F181-I183 VanDerWaalsContact C-N 3.28Å; F181-I183 HydrophobicContact CB-CD1 4.45Å; F181-I183 HydrophobicContact CB-CG1 4.48Å; F181-I183 PolarHBondContact O-N 3.41Å; F181-F356 WeakPolarHBondContact CD1-O 3.22Å
182G85Confident92.2Very high15 Ų1515.7 Ų15.716%0.1558%0.078CC..SBendtrans78.57-176.900000114.6N179N179-G182 PolarHBondContact O-N 2.92Å; N179-G182 PolarHBondContact OD1-N 2.94Å
183I90.2Very high92.2Very high19 Ų1918.9 Ų18.910%0.0979%0.091CC..  trans-79128.2176.5-61.4170.9000108.8K93 I178 N179 F181 K185K93-I183 HydrophobicContact CD-CG2 4.36Å; I178-I183 WeakPolarHBondContact CA-O 3.41Å; N179-I183 PolarHBondContact N-O 3.12Å; N179-I183 WeakPolarHBondContact OD1-CB 3.37Å; N179-I183 PolarHBondContact OD1-N 3.41Å; F181-I183 VanDerWaalsContact C-N 3.28Å; F181-I183 HydrophobicContact CB-CD1 4.45Å; F181-I183 HydrophobicContact CB-CG1 4.48Å; F181-I183 PolarHBondContact O-N 3.41Å; I183-K185 HydrophobicContact CG2-CG 4.28Å
184W95Very high92.2Very high3 Ų321.3 Ų21.31%0.01111%0.106CC..EExtended strand (participates in β ladder)trans-79137172.1-69.232.6000109.3L119 L141 G149 L153 V176 V177 I178 L252L119-W184 HydrophobicContact CD1-CH2 3.7Å; L119-W184 HydrophobicContact CD1-CZ2 3.79Å; L119-W184 HydrophobicContact CD1-CZ3 4.26Å; L119-W184 HydrophobicContact CD2-CE3 4.14Å; L119-W184 HydrophobicContact CD2-CH2 3.83Å; L119-W184 HydrophobicContact CD2-CZ3 3.56Å; L119-W184 HydrophobicContact CG-CH2 4.43Å; L141-W184 HydrophobicContact CD1-CZ2 4.02Å; L141-W184 HydrophobicContact CD2-CZ2 4.38Å; G149-W184 VanDerWaalsContact CA-CD2 3.41Å; L153-W184 HydrophobicContact CD1-CE3 3.8Å; L153-W184 HydrophobicContact CD1-CZ3 4.04Å; L153-W184 HydrophobicContact CG-CE3 4.16Å; V176-W184 HydrophobicContact CG1-CB 4.25Å; V176-W184 HydrophobicContact CG1-CD2 4.18Å; V176-W184 HydrophobicContact CG1-CE3 3.77Å; V176-W184 HydrophobicContact CG1-CG 4.43Å; V177-W184 CarbonylContact O-C 3.58Å; V177-W184 WeakPolarHBondContact O-CA 3.23Å; I178-W184 HydrophobicContact CG1-CG 4.33Å; W184-L252 HydrophobicContact CH2-CD1 3.87Å; W184-L252 HydrophobicContact CH2-CD2 3.82Å; W184-L252 HydrophobicContact CZ3-CD1 3.99Å
185K96Very high91.8Very high15 Ų1520.4 Ų20.47%0.06510%0.104CC..EExtended strand (participates in β ladder)trans-133136.5179.8-68.2-169.7161.4-133.70111P92 K93 I94 V95 E113 V177 I183P92-K185 WeakPolarHBondContact O-CE 3.36Å; P92-K185 PolarHBondContact O-NZ 2.9Å; P92-K185 VanDerWaalsContact O-NZ 3.08Å; K93-K185 WeakPolarHBondContact O-CA 3.44Å; I94-K185 PolarHBondContact O-NZ 2.85Å; V95-K185 HydrophobicContact CG2-CB 3.71Å; E113-K185 VanDerWaalsContact OE1-CD 3.3Å; E113-K185 WeakPolarHBondContact OE1-CD 3.28Å; E113-K185 WeakPolarHBondContact OE1-CE 3.49Å; E113-K185 IonicContact OE1-NZ 3.7Å; E113-K185 PolarHBondContact OE1-NZ 3.24Å; E113-K185 WeakPolarHBondContact OE2-CD 3.43Å; E113-K185 WeakPolarHBondContact OE2-CE 3.34Å; E113-K185 IonicContact OE2-NZ 2.7Å; E113-K185 PolarHBondContact OE2-NZ 3.04Å; V177-K185 HydrophobicContact CG2-CB 4.11Å; V177-K185 PolarHBondContact N-O 3.38Å; V177-K185 PolarHBondContact O-N 3.5Å; I183-K185 HydrophobicContact CG2-CG 4.28Å
186L96.6Very high90.7Very high0 Ų025.5 Ų25.50%013%0.131CC..EExtended strand (participates in β ladder)trans-81.6122.1175.6-169.859.6000110K93 I94 V95 L153 A156 L157 L160 L171 F189K93-L186 PolarHBondContact O-N 2.98Å; I94-L186 WeakPolarHBondContact CA-O 3.46Å; I94-L186 HydrophobicContact CG1-CB 4.43Å; V95-L186 PolarHBondContact N-O 2.8Å; V95-L186 VanDerWaalsContact N-O 3.09Å; L153-L186 HydrophobicContact CD2-CB 4.36Å; L153-L186 HydrophobicContact CD2-CD1 4.43Å; A156-L186 HydrophobicContact CB-CB 4.25Å; A156-L186 HydrophobicContact CB-CD2 4.24Å; L157-L186 HydrophobicContact CD2-CD2 4.3Å; L160-L186 HydrophobicContact CD1-CD2 3.74Å; L171-L186 HydrophobicContact CD1-CD1 3.57Å; L186-F189 HydrophobicContact CD2-CZ 4.44Å; L186-F189 HydrophobicContact CG-CE2 4.42Å; L186-F189 HydrophobicContact CG-CZ 4.4Å
187G94.9Very high89.2Confident1 Ų131.6 Ų31.61%0.0116%0.159CC..  trans-116.9-155.2162.500000108.9S175S175-G187 CarbonylContact O-C 3.38Å; S175-G187 WeakPolarHBondContact O-CA 3.29Å; S175-G187 PolarHBondContact O-N 2.98Å
188G92.7Very high87.3Confident8 Ų837.3 Ų37.38%0.08219%0.19CC..  trans75.440172.300000115.4N170 E190N170-G188 VanDerWaalsContact CB-O 3.28Å; N170-G188 WeakPolarHBondContact CB-O 3.21Å; N170-G188 PolarHBondContact ND2-O 3.39Å; G188-E190 WeakPolarHBondContact CA-OE2 3.44Å; G188-E190 PolarHBondContact O-N 3.14Å
189F94.8Very high85.3Confident2 Ų246.5 Ų46.51%0.00923%0.232CC..G310 helixtrans-80.714.3-176.3-75-95.7000114.9T85 L86 I89 I94 L160 H168 L186 F191 S192T85-F189 HydrophobicContact CG2-CB 4.08Å; T85-F189 HydrophobicContact CG2-CD1 4.05Å; T85-F189 HydrophobicContact CG2-CG 4.32Å; L86-F189 HydrophobicContact CB-CD2 4.41Å; L86-F189 HydrophobicContact CD1-CD2 3.62Å; L86-F189 HydrophobicContact CD1-CE2 3.6Å; I89-F189 HydrophobicContact CD1-CD1 3.84Å; I89-F189 HydrophobicContact CD1-CE1 3.54Å; I89-F189 HydrophobicContact CD1-CZ 4.15Å; I94-F189 HydrophobicContact CD1-CZ 4.13Å; I94-F189 HydrophobicContact CG2-CE2 3.98Å; I94-F189 HydrophobicContact CG2-CZ 4.1Å; L160-F189 HydrophobicContact CD1-CE1 3.79Å; L160-F189 HydrophobicContact CD1-CZ 3.93Å; L160-F189 HydrophobicContact CD2-CE1 3.76Å; L160-F189 HydrophobicContact CD2-CZ 4.2Å; L160-F189 HydrophobicContact CG-CE1 4.45Å; H168-F189 AromaticContact CD2-CE1 3.9Å; L186-F189 HydrophobicContact CD2-CZ 4.44Å; L186-F189 HydrophobicContact CG-CE2 4.42Å; L186-F189 HydrophobicContact CG-CZ 4.4Å; F189-F191 VanDerWaalsContact C-N 3.26Å; F189-F191 PolarHBondContact O-N 3.22Å; F189-S192 PolarHBondContact O-N 3.49Å; F189-S192 VanDerWaalsContact O-N 3.13Å; F189-S192 PolarHBondContact O-OG 3.18Å
190E93.1Very high83.2Confident13 Ų1356 Ų566%0.06127%0.274CS..G310 helixtrans-59.7-32.5-171.1-62.290174.300113.8L36 V78 L79 Y81 N170 G188L36-E190 HydrophobicContact CD1-CB 3.76Å; L36-E190 HydrophobicContact CD1-CG 3.69Å; L36-E190 HydrophobicContact CG-CB 4.35Å; L36-E190 HydrophobicContact CG-CG 4.08Å; V78-E190 HydrophobicContact CG1-CB 3.71Å; V78-E190 HydrophobicContact CG1-CG 4.36Å; L79-E190 HydrophobicContact CD2-CG 4.46Å; Y81-E190 WeakPolarHBondContact CD1-O 3.43Å; N170-E190 PolarHBondContact ND2-OE2 2.83Å; G188-E190 WeakPolarHBondContact CA-OE2 3.44Å; G188-E190 PolarHBondContact O-N 3.14Å
191F93.4Very high81.5Confident13 Ų1355 Ų556%0.05728%0.281CS..G310 helixtrans-103.40.4178.2-58.4-51.9000114.5L36 V78 L169 N170 F189 Q220 L221L36-F191 HydrophobicContact CD1-CE2 4.46Å; L36-F191 HydrophobicContact CD1-CZ 4.12Å; L36-F191 HydrophobicContact CD2-CD2 4.34Å; L36-F191 HydrophobicContact CD2-CE2 3.45Å; L36-F191 VanDerWaalsContact CD2-CE2 3.45Å; L36-F191 HydrophobicContact CD2-CZ 3.85Å; V78-F191 HydrophobicContact CG1-CE1 4.01Å; L169-F191 HydrophobicContact CB-CB 4.21Å; N170-F191 HydrophobicContact CB-CD2 4Å; F189-F191 VanDerWaalsContact C-N 3.26Å; F189-F191 PolarHBondContact O-N 3.22Å; F191-Q220 WeakPolarHBondContact CE2-O 3.42Å; F191-Q220 VanDerWaalsContact CZ-C 3.47Å; F191-Q220 WeakPolarHBondContact CZ-O 3.19Å; F191-L221 HydrophobicContact CB-CD2 3.74Å; F191-L221 HydrophobicContact CD1-CD2 4.43Å; F191-L221 HydrophobicContact CD2-CD2 3.8Å; F191-L221 HydrophobicContact CG-CD2 3.74Å
192S94.2Very high79.9Confident0 Ų060.9 Ų60.90%031%0.309CS..  trans-63.4147.3-170.679.60000113Y81 R166 L167 H168 F189Y81-S192 WeakPolarHBondContact CE1-O 3.38Å; Y81-S192 PolarHBondContact OH-O 3.08Å; R166-S192 PolarHBondContact NH1-OG 2.99Å; L167-S192 CarbonylContact O-C 3.41Å; L167-S192 WeakPolarHBondContact O-CA 3.41Å; L167-S192 WeakPolarHBondContact O-CB 3.43Å; H168-S192 WeakPolarHBondContact O-CA 3.26Å; F189-S192 PolarHBondContact O-N 3.49Å; F189-S192 VanDerWaalsContact O-N 3.13Å; F189-S192 PolarHBondContact O-OG 3.18Å
193K93Very high78.5Confident74 Ų7465.3 Ų65.332%0.32233%0.326SS..EExtended strand (participates in β ladder)trans-135.2146.6-179.2-64.7-62.3178-169.70111.6R166 L167 L169 V206 M208R166-K193 CarbonylContact C-O 3.42Å; R166-K193 VanDerWaalsContact CA-O 3.26Å; R166-K193 WeakPolarHBondContact CA-O 3.23Å; R166-K193 WeakPolarHBondContact CG-O 3.43Å; L167-K193 PolarHBondContact N-O 2.93Å; L167-K193 PolarHBondContact O-N 3.11Å; L169-K193 HydrophobicContact CD1-CB 4.43Å; L169-K193 HydrophobicContact CD1-CG 4.16Å; K193-V206 HydrophobicContact CB-CG1 4.1Å; K193-V206 HydrophobicContact CG-CG1 4.29Å; K193-M208 HydrophobicContact CD-SD 4.11Å; K193-M208 WeakPolarHBondContact CE-SD 3.21Å; K193-M208 HydrophobicContact CG-SD 3.77Å
194V91.1Very high77.3Confident77 Ų7767.5 Ų67.547%0.46734%0.343SS..EExtended strand (participates in β ladder)trans-77.6137.1167.1-175.90000108H165 V206H165-V194 CarbonylContact O-C 3.59Å; H165-V194 WeakPolarHBondContact O-CA 3.31Å; V194-V206 WeakPolarHBondContact O-CG2 3.35Å
195A82.9Confident76.4Confident13 Ų1371.6 Ų71.611%0.10736%0.361CS..PPolyproline II helixtrans-83.8130172.200000110.2H165 Q197 V206H165-A195 PolarHBondContact O-N 3.42Å; A195-Q197 PolarHBondContact O-N 2.94Å; A195-V206 HydrophobicContact CB-CG2 4.26Å
196D71.6Confident75.9Confident110 Ų11071.9 Ų71.959%0.58836%0.364SS*.PPolyproline II helixtrans-71.2118177.9-79.4-22.8000110.7N198 S204D196-N198 PolarHBondContact O-N 2.9Å; D196-S204 WeakPolarHBondContact O-CB 3.09Å
197Q64Low75.4Confident128 Ų12879.3 Ų79.360%0.59840%0.396SS*.  trans-80.938.6176.9-63.5-173.1-15.900113.4H165 A195 E199H165-Q197 PolarHBondContact CD2-NE2 2.92Å; H165-Q197 PolarHBondContact CE1-NE2 2.88Å; H165-Q197 VanDerWaalsContact CE1-NE2 3.25Å; H165-Q197 PolarHBondContact ND1-NE2 3.34Å; H165-Q197 PolarHBondContact NE2-NE2 3.12Å; A195-Q197 PolarHBondContact O-N 2.94Å; Q197-E199 PolarHBondContact O-N 3.47Å
198N55.9Low74.9Confident120 Ų12080.7 Ų80.764%0.64240%0.403SS*.  trans-70.5106178.6-80.1-38.6000110.1D196 K200D196-N198 PolarHBondContact O-N 2.9Å; N198-K200 PolarHBondContact O-N 3.39Å
199E50.9Low74.5Confident194 Ų19485.1 Ų85.191%0.90743%0.43SS*.THydrogen-bonded Turntrans-62.117.3-166.3-54.7-179.3132.700117Q197Q197-E199 PolarHBondContact O-N 3.47Å
200K48.6Very low74Confident208 Ų20887.7 Ų87.790%0.90445%0.446SS*.THydrogen-bonded Turntrans-130.78.4-169.3-65.5-173178.3178.30115.6N198N198-K200 PolarHBondContact O-N 3.39Å
201S45.4Very low73.8Confident73 Ų7388 Ų8851%0.5145%0.446SS..SBendtrans-133.8123.8175.4450000110.7Q203S201-Q203 PolarHBondContact O-N 3.32Å
202E49.1Very low73.4Confident193 Ų19391.5 Ų91.590%0.90246%0.463SS*.SBendtrans-67.314-172-60.3177.6137.300115.3
203Q54.8Low72.9Confident107 Ų10795.8 Ų95.850%0.549%0.493SS..SBendtrans-157.4110.3169.1-101.6129.796.100108.6S201 F205S201-Q203 PolarHBondContact O-N 3.32Å; Q203-F205 WeakPolarHBondContact O-CD1 3.38Å; Q203-F205 PolarHBondContact O-N 3.35Å; Q203-F205 VanDerWaalsContact O-N 3.14Å
204S64.5Low72.3Confident65 Ų6597.7 Ų97.746%0.45551%0.507SS..  trans-79.488.3172.457.60000110.2D196D196-S204 WeakPolarHBondContact O-CB 3.09Å
205F77.2Confident71.8Confident90 Ų9097.6 Ų97.640%0.39550%0.503SS..PPolyproline II helixtrans-96.6142.9173.767.7-84.4000111.2Q203 K207 E235 V236 T237Q203-F205 WeakPolarHBondContact O-CD1 3.38Å; Q203-F205 PolarHBondContact O-N 3.35Å; Q203-F205 VanDerWaalsContact O-N 3.14Å; F205-K207 HydrophobicContact CD2-CG 4.31Å; F205-K207 HydrophobicContact CE2-CD 4.48Å; F205-K207 HydrophobicContact CE2-CG 4.04Å; F205-E235 HydrophobicContact CD2-CB 4.1Å; F205-E235 HydrophobicContact CD2-CG 3.84Å; F205-E235 HydrophobicContact CE2-CG 4.04Å; F205-E235 WeakPolarHBondContact CE2-OE1 3.43Å; F205-V236 WeakPolarHBondContact CA-O 3.48Å; F205-T237 HydrophobicContact CB-CG2 3.87Å
206V85.4Confident71.4Confident21 Ų2197.7 Ų97.713%0.12750%0.501CS..EExtended strand (participates in β ladder)trans-99.4138.6173.1-177.30000108.6L167 K193 V194 A195 V236L167-V206 HydrophobicContact CD1-CB 4.49Å; L167-V206 HydrophobicContact CD1-CG2 4.2Å; K193-V206 HydrophobicContact CB-CG1 4.1Å; K193-V206 HydrophobicContact CG-CG1 4.29Å; V194-V206 WeakPolarHBondContact O-CG2 3.35Å; A195-V206 HydrophobicContact CB-CG2 4.26Å; V206-V236 HydrophobicContact CB-CG2 3.89Å; V206-V236 PolarHBondContact N-O 3.49Å; V206-V236 WeakPolarHBondContact O-CG2 3.16Å; V206-V236 PolarHBondContact O-N 3.39Å
207K85.8Confident71.8Confident155 Ų15594.4 Ų94.467%0.67449%0.486SS*.EExtended strand (participates in β ladder)trans-86.5129.9173.3-69-171.5176-175.30111.2F205 G234F205-K207 HydrophobicContact CD2-CG 4.31Å; F205-K207 HydrophobicContact CE2-CD 4.48Å; F205-K207 HydrophobicContact CE2-CG 4.04Å; K207-G234 CarbonylContact C-O 3.53Å; K207-G234 WeakPolarHBondContact CA-O 3.37Å
208M84.9Confident72.6Confident31 Ų3190.2 Ų90.215%0.15347%0.47CS..  trans-118.6153.5174.1-78.1-58.7-68.400110.3L169 K193 V210 G234 V236L169-M208 HydrophobicContact CD1-CG 4.5Å; K193-M208 HydrophobicContact CD-SD 4.11Å; K193-M208 WeakPolarHBondContact CE-SD 3.21Å; K193-M208 HydrophobicContact CG-SD 3.77Å; M208-V210 PolarHBondContact O-N 3.04Å; M208-G234 PolarHBondContact N-O 3.2Å; M208-G234 WeakPolarHBondContact O-CA 3.4Å; M208-V236 HydrophobicContact CG-CG1 4.27Å; M208-V236 HydrophobicContact CG-CG2 3.81Å
209P83.5Confident73.9Confident101 Ų10186 Ų8666%0.65645%0.449SS*.PPolyproline II helixtrans-58.4128.3168.6-21.834.1000110.6
210V85.3Confident75.6Confident56 Ų5677.8 Ų77.834%0.33941%0.411SS..PPolyproline II helixtrans-61.4140.9172-178.80000109.1M208 Q212M208-V210 PolarHBondContact O-N 3.04Å; V210-Q212 WeakPolarHBondContact O-CG 3.43Å
211W88.8Confident77.6Confident18 Ų1868.4 Ų68.47%0.06837%0.37CS..PPolyproline II helixtrans-61.2134.9-176.8-163.9103000111.9S213 P217 L221 L223 I231 D264 Y266W211-S213 VanDerWaalsContact CZ3-CA 3.44Å; W211-P217 HydrophobicContact CZ2-CB 4.38Å; W211-P217 HydrophobicContact CZ2-CG 4.41Å; W211-L221 PolarHBondContact NE1-O 3.06Å; W211-L223 HydrophobicContact CD2-CD2 3.99Å; W211-L223 HydrophobicContact CD2-CG 4.49Å; W211-L223 HydrophobicContact CG-CD2 3.92Å; W211-L223 HydrophobicContact CH2-CD1 4.23Å; W211-L223 HydrophobicContact CZ2-CD1 3.89Å; W211-L223 HydrophobicContact CZ2-CG 4.22Å; W211-I231 HydrophobicContact CB-CD1 4.34Å; W211-I231 HydrophobicContact CB-CG2 4.14Å; W211-D264 WeakPolarHBondContact CH2-O 3.49Å; W211-Y266 HydrophobicContact CB-CD2 4.47Å; W211-Y266 AromaticContact CE3-CD2 3.95Å; W211-Y266 HydrophobicContact CE3-CD2 3.95Å; W211-Y266 HydrophobicContact CE3-CG 4.09Å; W211-Y266 HydrophobicContact CZ3-CG 4.4Å
212Q83.8Confident79.7Confident88 Ų8867.5 Ų67.541%0.41136%0.36SS..  trans-129130.6-175.6-41.3-172.7-7.300112V210 N214 L215 Q220V210-Q212 WeakPolarHBondContact O-CG 3.43Å; Q212-N214 WeakPolarHBondContact CB-OD1 3.31Å; Q212-N214 PolarHBondContact O-N 2.84Å; Q212-N214 PolarHBondContact OE1-OD1 3.28Å; Q212-L215 HydrophobicContact CB-CD1 4.13Å; Q212-L215 HydrophobicContact CB-CG 4.24Å; Q212-L215 HydrophobicContact CG-CD1 4.12Å; Q212-L215 PolarHBondContact O-N 3.04Å; Q212-Q220 PolarHBondContact O-NE2 2.96Å; Q212-Q220 PolarHBondContact O-OE1 3Å
213S83.7Confident81.7Confident89 Ų8958.3 Ų58.362%0.62232%0.317SS*.THydrogen-bonded Turntrans-69.5-11.6-177.5-36.40000115.1W211W211-S213 VanDerWaalsContact CZ3-CA 3.44Å
214N81.1Confident83.4Confident115 Ų11554.6 Ų54.662%0.61530%0.301SS*.THydrogen-bonded Turntrans-91.2-9.8176.964.3-25.3000113.2Q212Q212-N214 WeakPolarHBondContact CB-OD1 3.31Å; Q212-N214 PolarHBondContact O-N 2.84Å; Q212-N214 PolarHBondContact OE1-OD1 3.28Å
215L79.8Confident84.6Confident74 Ų7452 Ų5239%0.38728%0.283SS..SBendtrans-97.7153.2175.8-66.7177.4000110Q212 Q220Q212-L215 HydrophobicContact CB-CD1 4.13Å; Q212-L215 HydrophobicContact CB-CG 4.24Å; Q212-L215 HydrophobicContact CG-CD1 4.12Å; Q212-L215 PolarHBondContact O-N 3.04Å; L215-Q220 HydrophobicContact CB-CG 4.25Å; L215-Q220 PolarHBondContact O-NE2 3.38Å
216M75Confident85.4Confident15 Ų1548 Ų487%0.07427%0.266CS..  trans-59.8128.9176.7-76.9-178.858.200110.4Y67 Q71 M75 T218 C219 Q220Y67-M216 HydrophobicContact CD1-CE 3.41Å; Y67-M216 VanDerWaalsContact CD1-CE 3.41Å; Y67-M216 HydrophobicContact CD1-SD 3.66Å; Y67-M216 HydrophobicContact CD2-CE 3.81Å; Y67-M216 HydrophobicContact CD2-SD 4.48Å; Y67-M216 HydrophobicContact CE1-CE 3.5Å; Y67-M216 VanDerWaalsContact CE1-CE 3.5Å; Y67-M216 HydrophobicContact CE1-SD 4.31Å; Y67-M216 HydrophobicContact CE2-CE 3.91Å; Y67-M216 HydrophobicContact CG-CE 3.58Å; Y67-M216 HydrophobicContact CG-SD 3.77Å; Q71-M216 HydrophobicContact CB-CG 4.34Å; Q71-M216 HydrophobicContact CB-SD 3.61Å; Q71-M216 HydrophobicContact CG-SD 4.43Å; M75-M216 HydrophobicContact CE-CE 4.15Å; M216-T218 WeakPolarHBondContact CE-OG1 3.34Å; M216-T218 PolarHBondContact O-N 3.11Å; M216-C219 HydrophobicContact CB-CB 4.18Å; M216-C219 PolarHBondContact O-N 3.5Å; M216-Q220 PolarHBondContact O-NE2 3.48Å
217P80.6Confident85.7Confident42 Ų4247 Ų4727%0.27326%0.26SS..G310 helixtrans-57.7-36.1178.6-27.235.4000113.1W211 C219 Q220 D264W211-P217 HydrophobicContact CZ2-CB 4.38Å; W211-P217 HydrophobicContact CZ2-CG 4.41Å; P217-C219 VanDerWaalsContact C-N 3.28Å; P217-C219 PolarHBondContact O-N 3.4Å; P217-Q220 CarbonylContact O-C 3.56Å; P217-Q220 PolarHBondContact O-N 2.99Å; P217-Q220 VanDerWaalsContact O-O 3.05Å; P217-D264 HydrophobicContact CB-CB 4.07Å; P217-D264 VanDerWaalsContact CB-CG 3.45Å; P217-D264 VanDerWaalsContact CB-OD1 3.23Å; P217-D264 WeakPolarHBondContact CB-OD1 3.49Å; P217-D264 HydrophobicContact CG-CB 3.71Å; P217-D264 VanDerWaalsContact CG-CG 3.44Å
218T80.1Confident86.1Confident40 Ų4040.3 Ų40.325%0.24523%0.233CC..G310 helixtrans-70.3-17.1176.646.80000114.3M75 M216 Q220M75-T218 VanDerWaalsContact CE-CB 3.48Å; M75-T218 WeakPolarHBondContact CE-OG1 3.39Å; M216-T218 WeakPolarHBondContact CE-OG1 3.34Å; M216-T218 PolarHBondContact O-N 3.11Å; T218-Q220 VanDerWaalsContact C-N 3.29Å
219C82.5Confident86.4Confident32 Ų3239.4 Ų39.422%0.21623%0.228CC..G310 helixtrans-88.63.8170.8-67.10000112.5M75 M216 P217M75-C219 VanDerWaalsContact CE-SG 3.5Å; M216-C219 HydrophobicContact CB-CB 4.18Å; M216-C219 PolarHBondContact O-N 3.5Å; P217-C219 VanDerWaalsContact C-N 3.28Å; P217-C219 PolarHBondContact O-N 3.4Å
220Q88.3Confident86.8Confident20 Ų2034.8 Ų34.89%0.09320%0.198CC..SBendtrans-130.3169.2-174.3-62.1-176.799.400110.7F191 Q212 L215 M216 P217 T218 N222F191-Q220 WeakPolarHBondContact CE2-O 3.42Å; F191-Q220 VanDerWaalsContact CZ-C 3.47Å; F191-Q220 WeakPolarHBondContact CZ-O 3.19Å; Q212-Q220 PolarHBondContact O-NE2 2.96Å; Q212-Q220 PolarHBondContact O-OE1 3Å; L215-Q220 HydrophobicContact CB-CG 4.25Å; L215-Q220 PolarHBondContact O-NE2 3.38Å; M216-Q220 PolarHBondContact O-NE2 3.48Å; P217-Q220 CarbonylContact O-C 3.56Å; P217-Q220 PolarHBondContact O-N 2.99Å; P217-Q220 VanDerWaalsContact O-O 3.05Å; T218-Q220 VanDerWaalsContact C-N 3.29Å; Q220-N222 PolarHBondContact O-N 3.3Å
221L89.7Confident87.1Confident12 Ų1232.2 Ų32.26%0.06318%0.182CC..  trans-59.8131.8174.4-57.2-177.1000110.5L169 F191 W211 L223 A230 I231L169-L221 HydrophobicContact CB-CD2 4.18Å; L169-L221 WeakPolarHBondContact O-CD2 3.43Å; F191-L221 HydrophobicContact CB-CD2 3.74Å; F191-L221 HydrophobicContact CD1-CD2 4.43Å; F191-L221 HydrophobicContact CD2-CD2 3.8Å; F191-L221 HydrophobicContact CG-CD2 3.74Å; W211-L221 PolarHBondContact NE1-O 3.06Å; L221-L223 PolarHBondContact O-N 3.47Å; L221-A230 HydrophobicContact CD1-CB 4.01Å; L221-I231 HydrophobicContact CB-CD1 3.72Å; L221-I231 HydrophobicContact CD1-CD1 4.37Å
222N89.6Confident87.2Confident53 Ų5334.1 Ų34.128%0.28319%0.194SC..  trans-69.2117.4-177.6-177-30.5000110.6T172 Q220 N224 A225 S226T172-N222 HydrophobicContact CG2-CB 4.46Å; Q220-N222 PolarHBondContact O-N 3.3Å; N222-N224 PolarHBondContact O-N 2.86Å; N222-N224 VanDerWaalsContact O-N 3.16Å; N222-N224 WeakPolarHBondContact OD1-CB 3.45Å; N222-N224 PolarHBondContact OD1-N 3.29Å; N222-A225 HydrophobicContact CB-CB 4.45Å; N222-A225 PolarHBondContact O-N 3.16Å; N222-S226 VanDerWaalsContact O-CB 3.28Å; N222-S226 WeakPolarHBondContact O-CB 3.49Å; N222-S226 PolarHBondContact O-N 3.43Å; N222-S226 PolarHBondContact O-OG 3.26Å
223L90.9Very high87.4Confident1 Ų135.9 Ų35.91%0.00520%0.202CC..THydrogen-bonded Turntrans-56.4-32.5-178.6-63.3-178.4000113W211 L221 A225 I231 V262 Y269W211-L223 HydrophobicContact CD2-CD2 3.99Å; W211-L223 HydrophobicContact CD2-CG 4.49Å; W211-L223 HydrophobicContact CG-CD2 3.92Å; W211-L223 HydrophobicContact CH2-CD1 4.23Å; W211-L223 HydrophobicContact CZ2-CD1 3.89Å; W211-L223 HydrophobicContact CZ2-CG 4.22Å; L221-L223 PolarHBondContact O-N 3.47Å; L223-A225 PolarHBondContact O-N 3.09Å; L223-I231 HydrophobicContact CD2-CD1 3.93Å; L223-I231 HydrophobicContact CD2-CG1 4.2Å; L223-I231 HydrophobicContact CD2-CG2 3.73Å; L223-V262 HydrophobicContact CB-CG2 4.03Å; L223-Y269 HydrophobicContact CB-CD2 3.98Å; L223-Y269 HydrophobicContact CB-CG 4.45Å; L223-Y269 HydrophobicContact CD2-CD2 4.35Å; L223-Y269 HydrophobicContact CD2-CG 4.2Å; L223-Y269 WeakPolarHBondContact O-CD2 3.43Å; L223-Y269 WeakPolarHBondContact O-CE2 3.45Å
224N89.9Confident87.6Confident29 Ų2931.8 Ų31.816%0.15517%0.173CC..THydrogen-bonded Turntrans-80.1-2.2-177.9-65.5-75.6000114.2N222 S258 D261 V262 G263N222-N224 PolarHBondContact O-N 2.86Å; N222-N224 VanDerWaalsContact O-N 3.16Å; N222-N224 WeakPolarHBondContact OD1-CB 3.45Å; N222-N224 PolarHBondContact OD1-N 3.29Å; N224-S258 PolarHBondContact O-OG 3.38Å; N224-D261 PolarHBondContact OD1-N 3.31Å; N224-V262 WeakPolarHBondContact OD1-CG2 3.16Å; N224-V262 PolarHBondContact OD1-N 3.43Å; N224-G263 PolarHBondContact ND2-N 3.32Å; N224-G263 PolarHBondContact ND2-O 2.97Å
225A91Very high88.1Confident11 Ų1129.8 Ų29.89%0.09116%0.16CC..THydrogen-bonded Turntrans-135.90.5-177.500000114.3T172 N222 L223 S244T172-A225 HydrophobicContact CG2-CB 3.61Å; N222-A225 HydrophobicContact CB-CB 4.45Å; N222-A225 PolarHBondContact O-N 3.16Å; L223-A225 PolarHBondContact O-N 3.09Å; A225-S244 WeakPolarHBondContact O-CA 3.3Å; A225-S244 WeakPolarHBondContact O-CB 3.32Å; A225-S244 PolarHBondContact O-OG 3.24Å
226S92.8Very high88.6Confident5 Ų526.2 Ų26.24%0.03514%0.142CC..  trans-107.9152.6-172.6-57.70000113.3N222 Y269N222-S226 VanDerWaalsContact O-CB 3.28Å; N222-S226 WeakPolarHBondContact O-CB 3.49Å; N222-S226 PolarHBondContact O-N 3.43Å; N222-S226 PolarHBondContact O-OG 3.26Å; S226-Y269 PolarHBondContact O-OH 3.15Å
227S93.6Very high89.5Confident1 Ų126.9 Ų26.91%0.00715%0.147CC..  trans-79.7154-177.671.10000113.9E229 A230 I231 S240 F243 Y269S227-E229 VanDerWaalsContact C-N 3.32Å; S227-E229 WeakPolarHBondContact CB-OE1 3.26Å; S227-E229 WeakPolarHBondContact CB-OE2 3.3Å; S227-E229 PolarHBondContact O-N 3.12Å; S227-E229 PolarHBondContact OG-OE1 2.71Å; S227-E229 PolarHBondContact OG-OE2 3.42Å; S227-A230 WeakPolarHBondContact O-CB 3.32Å; S227-A230 PolarHBondContact O-N 2.91Å; S227-A230 VanDerWaalsContact OG-CB 3.29Å; S227-A230 WeakPolarHBondContact OG-CB 3.3Å; S227-A230 PolarHBondContact OG-N 3.37Å; S227-I231 PolarHBondContact O-N 2.93Å; S227-I231 VanDerWaalsContact O-N 3.08Å; S227-S240 WeakPolarHBondContact OG-CB 3.29Å; S227-F243 VanDerWaalsContact CA-CD1 3.43Å; S227-Y269 PolarHBondContact O-OH 2.86Å; S227-Y269 VanDerWaalsContact O-OH 3.08Å
228P92.4Very high90Very high14 Ų1426.6 Ų26.69%0.09115%0.148CC..Hα-helixtrans-59.4-40-177.117.5-29.4000113.1I231 L232 F243 Y269 V273P228-I231 PolarHBondContact O-N 3.23Å; P228-L232 HydrophobicContact CB-CD1 4.21Å; P228-L232 WeakPolarHBondContact O-CB 2.96Å; P228-L232 VanDerWaalsContact O-CG 3.24Å; P228-L232 WeakPolarHBondContact O-CG 3.4Å; P228-L232 PolarHBondContact O-N 3.18Å; P228-F243 HydrophobicContact CG-CE2 4.43Å; P228-F243 HydrophobicContact CG-CZ 4.5Å; P228-Y269 WeakPolarHBondContact CA-OH 3.24Å; P228-Y269 VanDerWaalsContact N-OH 3.17Å; P228-V273 HydrophobicContact CB-CG1 3.92Å; P228-V273 HydrophobicContact CG-CG1 4.05Å
229E91.6Very high90.6Very high12 Ų1225.6 Ų25.66%0.05614%0.144CC..Hα-helixtrans-67.2-38.617869.4-70165.700112.1S227 I231 Q233 G234 E235 S240 P303 R306S227-E229 VanDerWaalsContact C-N 3.32Å; S227-E229 WeakPolarHBondContact CB-OE1 3.26Å; S227-E229 WeakPolarHBondContact CB-OE2 3.3Å; S227-E229 PolarHBondContact O-N 3.12Å; S227-E229 PolarHBondContact OG-OE1 2.71Å; S227-E229 PolarHBondContact OG-OE2 3.42Å; E229-I231 PolarHBondContact O-N 3.25Å; E229-Q233 WeakPolarHBondContact O-CA 3.01Å; E229-Q233 WeakPolarHBondContact O-CB 3.37Å; E229-Q233 PolarHBondContact O-N 2.95Å; E229-G234 PolarHBondContact O-N 2.96Å; E229-E235 CarbonylContact C-O 3.57Å; E229-E235 WeakPolarHBondContact CG-O 3.3Å; E229-E235 PolarHBondContact O-N 3.17Å; E229-S240 WeakPolarHBondContact OE1-CA 3.45Å; E229-S240 WeakPolarHBondContact OE1-CB 3.21Å; E229-S240 PolarHBondContact OE1-OG 3.13Å; E229-P303 HydrophobicContact CG-CG 4.03Å; E229-R306 VanDerWaalsContact CD-NH1 3.31Å; E229-R306 IonicContact OE1-CZ 3.13Å; E229-R306 IonicContact OE1-NH1 2.75Å; E229-R306 PolarHBondContact OE1-NH1 3.27Å; E229-R306 IonicContact OE1-NH2 3.81Å; E229-R306 IonicContact OE2-CZ 2.67Å; E229-R306 IonicContact OE2-NH1 2.69Å; E229-R306 PolarHBondContact OE2-NH1 3.36Å; E229-R306 IonicContact OE2-NH2 2.81Å; E229-R306 PolarHBondContact OE2-NH2 3.01Å
230A92.1Very high91.2Very high4 Ų424.2 Ų24.23%0.03313%0.134CC..Hα-helixtrans-61.7-44.5175.800000112.4L221 S227 E235 V236L221-A230 HydrophobicContact CD1-CB 4.01Å; S227-A230 WeakPolarHBondContact O-CB 3.32Å; S227-A230 PolarHBondContact O-N 2.91Å; S227-A230 VanDerWaalsContact OG-CB 3.29Å; S227-A230 WeakPolarHBondContact OG-CB 3.3Å; S227-A230 PolarHBondContact OG-N 3.37Å; A230-E235 PolarHBondContact N-O 3.5Å; A230-V236 HydrophobicContact CB-CG1 3.51Å
231I92.2Very high91.5Very high1 Ų123.2 Ų23.21%0.00513%0.13CC..Hα-helixtrans-83.7-38.9-175-64.5-57.6000113.1W211 L221 L223 S227 P228 E229 Y266 Y269W211-I231 HydrophobicContact CB-CD1 4.34Å; W211-I231 HydrophobicContact CB-CG2 4.14Å; L221-I231 HydrophobicContact CB-CD1 3.72Å; L221-I231 HydrophobicContact CD1-CD1 4.37Å; L223-I231 HydrophobicContact CD2-CD1 3.93Å; L223-I231 HydrophobicContact CD2-CG1 4.2Å; L223-I231 HydrophobicContact CD2-CG2 3.73Å; S227-I231 PolarHBondContact O-N 2.93Å; S227-I231 VanDerWaalsContact O-N 3.08Å; P228-I231 PolarHBondContact O-N 3.23Å; E229-I231 PolarHBondContact O-N 3.25Å; I231-Y266 HydrophobicContact CG2-CD2 3.96Å; I231-Y266 HydrophobicContact CG2-CE2 3.79Å; I231-Y269 HydrophobicContact CB-CD1 4.33Å; I231-Y269 HydrophobicContact CB-CE1 3.59Å; I231-Y269 HydrophobicContact CG1-CE1 4.02Å; I231-Y269 HydrophobicContact CG1-CE2 4.42Å; I231-Y269 HydrophobicContact CG2-CD1 3.66Å; I231-Y269 HydrophobicContact CG2-CE1 3.44Å; I231-Y269 VanDerWaalsContact CG2-CE1 3.44Å; I231-Y269 HydrophobicContact CG2-CG 4.49Å
232L90.2Very high91.7Very high58 Ų5822.8 Ų22.830%0.30413%0.127SC..Hα-helixtrans-95.5-29.6-171.2-57.2174.3000113.8P228 Y266 Y269 K270P228-L232 HydrophobicContact CB-CD1 4.21Å; P228-L232 WeakPolarHBondContact O-CB 2.96Å; P228-L232 VanDerWaalsContact O-CG 3.24Å; P228-L232 WeakPolarHBondContact O-CG 3.4Å; P228-L232 PolarHBondContact O-N 3.18Å; L232-Y266 HydrophobicContact CD2-CE2 3.82Å; L232-Y269 HydrophobicContact CD2-CE1 4.49Å; L232-Y269 HydrophobicContact CG-CE1 4.44Å; L232-K270 HydrophobicContact CD2-CB 4.33Å; L232-K270 HydrophobicContact CD2-CD 4.21Å; L232-K270 HydrophobicContact CD2-CG 4.16Å
233Q88.9Confident92Very high126 Ų12620.2 Ų20.259%0.58911%0.114SC*.THydrogen-bonded Turntrans-112.4-24.3-176.3-65.6165.9-26.400112E229 E235E229-Q233 WeakPolarHBondContact O-CA 3.01Å; E229-Q233 WeakPolarHBondContact O-CB 3.37Å; E229-Q233 PolarHBondContact O-N 2.95Å; Q233-E235 VanDerWaalsContact C-N 3.27Å; Q233-E235 HydrophobicContact CB-CB 4.49Å; Q233-E235 HydrophobicContact CB-CG 4.4Å
234G88.3Confident92.2Very high2 Ų220.4 Ų20.42%0.02112%0.115CC..  trans73.322.4-173.100000112.2K207 M208 E229K207-G234 CarbonylContact C-O 3.53Å; K207-G234 WeakPolarHBondContact CA-O 3.37Å; M208-G234 PolarHBondContact N-O 3.2Å; M208-G234 WeakPolarHBondContact O-CA 3.4Å; E229-G234 PolarHBondContact O-N 2.96Å
235E90.3Very high92.4Very high73 Ų7319 Ų1934%0.34111%0.107SC..EExtended strand (participates in β ladder)trans-110.1123.4177.3-64.1-173.7162.300108.3F205 E229 A230 Q233F205-E235 HydrophobicContact CD2-CB 4.1Å; F205-E235 HydrophobicContact CD2-CG 3.84Å; F205-E235 HydrophobicContact CE2-CG 4.04Å; F205-E235 WeakPolarHBondContact CE2-OE1 3.43Å; E229-E235 CarbonylContact C-O 3.57Å; E229-E235 WeakPolarHBondContact CG-O 3.3Å; E229-E235 PolarHBondContact O-N 3.17Å; A230-E235 PolarHBondContact N-O 3.5Å; Q233-E235 VanDerWaalsContact C-N 3.27Å; Q233-E235 HydrophobicContact CB-CB 4.49Å; Q233-E235 HydrophobicContact CB-CG 4.4Å
236V91.6Very high92.4Very high0 Ų018.5 Ų18.50%010%0.103CC..EExtended strand (participates in β ladder)trans-125.2142.5-176-63.40000111.8L167 L169 F205 V206 M208 A230L167-V236 HydrophobicContact CD1-CB 4.12Å; L167-V236 HydrophobicContact CD1-CG2 3.77Å; L169-V236 HydrophobicContact CD1-CB 4.3Å; L169-V236 HydrophobicContact CD1-CG1 4.46Å; L169-V236 HydrophobicContact CD1-CG2 3.8Å; L169-V236 HydrophobicContact CD2-CB 3.86Å; L169-V236 HydrophobicContact CD2-CG1 4.05Å; L169-V236 HydrophobicContact CD2-CG2 4.24Å; F205-V236 WeakPolarHBondContact CA-O 3.48Å; V206-V236 HydrophobicContact CB-CG2 3.89Å; V206-V236 PolarHBondContact N-O 3.49Å; V206-V236 WeakPolarHBondContact O-CG2 3.16Å; V206-V236 PolarHBondContact O-N 3.39Å; M208-V236 HydrophobicContact CG-CG1 4.27Å; M208-V236 HydrophobicContact CG-CG2 3.81Å; A230-V236 HydrophobicContact CB-CG1 3.51Å
237T92.5Very high92.4Very high29 Ų2918.4 Ų18.418%0.17810%0.102CC..  trans-141.3176-178.460.10000109.9L167 F205 A239 S240L167-T237 VanDerWaalsContact CD2-C 3.47Å; F205-T237 HydrophobicContact CB-CG2 3.87Å; T237-A239 PolarHBondContact O-N 2.73Å; T237-A239 PolarHBondContact OG1-N 2.92Å; T237-S240 PolarHBondContact N-OG 3.34Å; T237-S240 VanDerWaalsContact N-OG 3.08Å; T237-S240 WeakPolarHBondContact O-CB 3.31Å; T237-S240 PolarHBondContact O-N 2.95Å; T237-S240 PolarHBondContact O-OG 3.13Å
238A92.3Very high92.4Very high35 Ų3518.6 Ų18.629%0.28910%0.103SC..Hα-helixtrans-53.6-39171.800000111.8H161 L167 S240 D241 M242H161-A238 HydrophobicContact CB-CB 4.31Å; H161-A238 PolarHBondContact CE1-O 2.94Å; L167-A238 HydrophobicContact CD2-CB 4.3Å; L167-A238 VanDerWaalsContact CD2-N 3.31Å; A238-S240 PolarHBondContact O-N 3.49Å; A238-S240 VanDerWaalsContact O-N 3.15Å; A238-D241 PolarHBondContact O-N 3.1Å; A238-D241 VanDerWaalsContact O-N 3.12Å; A238-M242 WeakPolarHBondContact O-CG 3.48Å; A238-M242 PolarHBondContact O-N 3.09Å
239A93Very high92.4Very high20 Ų2018 Ų1817%0.16510%0.099CC..Hα-helixtrans-62.2-19.6176.400000114T237 M242 F243 P303 R306T237-A239 PolarHBondContact O-N 2.73Å; T237-A239 PolarHBondContact OG1-N 2.92Å; A239-M242 PolarHBondContact O-N 3.37Å; A239-F243 PolarHBondContact O-N 3.3Å; A239-P303 HydrophobicContact CB-CB 3.89Å; A239-P303 WeakPolarHBondContact CB-O 3.46Å; A239-R306 HydrophobicContact CB-CB 4.29Å; A239-R306 WeakPolarHBondContact O-CD 3.37Å; A239-R306 PolarHBondContact O-NH1 3.15Å
240S94.2Very high92.3Very high2 Ų217.4 Ų17.41%0.01410%0.096CC..Hα-helixtrans-70.2-43.7173.4-52.30000111.3S227 E229 T237 A238 M242 F243 S244S227-S240 WeakPolarHBondContact OG-CB 3.29Å; E229-S240 WeakPolarHBondContact OE1-CA 3.45Å; E229-S240 WeakPolarHBondContact OE1-CB 3.21Å; E229-S240 PolarHBondContact OE1-OG 3.13Å; T237-S240 PolarHBondContact N-OG 3.34Å; T237-S240 VanDerWaalsContact N-OG 3.08Å; T237-S240 WeakPolarHBondContact O-CB 3.31Å; T237-S240 PolarHBondContact O-N 2.95Å; T237-S240 PolarHBondContact O-OG 3.13Å; A238-S240 PolarHBondContact O-N 3.49Å; A238-S240 VanDerWaalsContact O-N 3.15Å; S240-M242 VanDerWaalsContact C-N 3.27Å; S240-M242 PolarHBondContact O-N 3.2Å; S240-F243 PolarHBondContact O-N 2.9Å; S240-S244 PolarHBondContact O-N 3.24Å; S240-S244 VanDerWaalsContact O-N 3.17Å; S240-S244 PolarHBondContact O-OG 3.22Å
241D94.9Very high92.2Very high0 Ų017.5 Ų17.50%010%0.098CC..Hα-helixtrans-62.8-34.6172.5-71.4-31.5000111.7L157 H161 L167 H168 L169 A238 F243 S244 L245L157-D241 HydrophobicContact CD2-CB 4.15Å; H161-D241 IonicContact CD2-OD2 3.06Å; H161-D241 IonicContact CE1-OD2 2.71Å; H161-D241 IonicContact NE2-OD2 2.7Å; H161-D241 PolarHBondContact NE2-OD2 2.78Å; L167-D241 WeakPolarHBondContact CA-OD2 3.38Å; H168-D241 PolarHBondContact N-OD1 3.43Å; H168-D241 PolarHBondContact N-OD2 3.39Å; L169-D241 WeakPolarHBondContact CA-OD1 3.48Å; L169-D241 PolarHBondContact N-OD1 2.77Å; A238-D241 PolarHBondContact O-N 3.1Å; A238-D241 VanDerWaalsContact O-N 3.12Å; D241-F243 VanDerWaalsContact C-N 3.32Å; D241-F243 PolarHBondContact O-N 3.25Å; D241-S244 WeakPolarHBondContact O-CB 3.42Å; D241-S244 PolarHBondContact O-N 2.55Å; D241-L245 PolarHBondContact O-N 2.9Å
242M94.2Very high92Very high2 Ų217.9 Ų17.91%0.0110%0.1CC..Hα-helixtrans-66.9-33178.3-54.9-42.9-58.800112.8L157 A238 A239 S240 L245 G246 M298 R306 P307 A309 Y312L157-M242 HydrophobicContact CD1-SD 4.47Å; A238-M242 WeakPolarHBondContact O-CG 3.48Å; A238-M242 PolarHBondContact O-N 3.09Å; A239-M242 PolarHBondContact O-N 3.37Å; S240-M242 VanDerWaalsContact C-N 3.27Å; S240-M242 PolarHBondContact O-N 3.2Å; M242-L245 HydrophobicContact CE-CD2 3.8Å; M242-L245 PolarHBondContact O-N 2.59Å; M242-G246 PolarHBondContact O-N 3.3Å; M242-G246 VanDerWaalsContact O-N 3.09Å; M242-M298 WeakPolarHBondContact O-CB 3.33Å; M242-R306 HydrophobicContact CB-CB 4.43Å; M242-P307 WeakPolarHBondContact CG-O 3.42Å; M242-A309 HydrophobicContact CE-CB 3.98Å; M242-A309 HydrophobicContact SD-CB 3.89Å; M242-Y312 WeakPolarHBondContact CE-OH 3.45Å
243F94.8Very high91.8Very high0 Ų017 Ų170%09%0.093CC..Hα-helixtrans-69.3-42.9171.5-173.7-83.5000111.2S227 P228 A239 S240 D241 L245 G246 L247 V273 L276 M298 L299S227-F243 VanDerWaalsContact CA-CD1 3.43Å; P228-F243 HydrophobicContact CG-CE2 4.43Å; P228-F243 HydrophobicContact CG-CZ 4.5Å; A239-F243 PolarHBondContact O-N 3.3Å; S240-F243 PolarHBondContact O-N 2.9Å; D241-F243 VanDerWaalsContact C-N 3.32Å; D241-F243 PolarHBondContact O-N 3.25Å; F243-L245 VanDerWaalsContact C-N 3.27Å; F243-L245 PolarHBondContact O-N 2.99Å; F243-G246 PolarHBondContact O-N 3Å; F243-G246 VanDerWaalsContact O-N 3.13Å; F243-L247 HydrophobicContact CD1-CD1 3.94Å; F243-L247 HydrophobicContact CD1-CG 4.18Å; F243-L247 HydrophobicContact CE1-CD1 3.67Å; F243-L247 HydrophobicContact CE1-CD2 4.4Å; F243-L247 HydrophobicContact CE1-CG 4.01Å; F243-L247 PolarHBondContact O-N 2.88Å; F243-V273 HydrophobicContact CZ-CG1 4.39Å; F243-L276 HydrophobicContact CE2-CD2 4.05Å; F243-L276 HydrophobicContact CZ-CD2 3.63Å; F243-M298 VanDerWaalsContact CD2-O 3.29Å; F243-M298 WeakPolarHBondContact CD2-O 3.35Å; F243-L299 HydrophobicContact CD1-CD2 4.29Å; F243-L299 HydrophobicContact CD2-CD2 4.05Å; F243-L299 HydrophobicContact CE1-CD2 4.29Å; F243-L299 HydrophobicContact CE2-CB 4.38Å; F243-L299 HydrophobicContact CE2-CD2 4.02Å; F243-L299 HydrophobicContact CG-CD2 4.19Å; F243-L299 HydrophobicContact CZ-CD2 4.14Å; F243-L299 WeakPolarHBondContact O-CD2 3.45Å
244S94.7Very high91.6Very high4 Ų413.6 Ų13.63%0.0288%0.079CC..Hα-helixtrans-58.5-38.7172.6-59.10000112.3A225 S240 D241 L247 L248A225-S244 WeakPolarHBondContact O-CA 3.3Å; A225-S244 WeakPolarHBondContact O-CB 3.32Å; A225-S244 PolarHBondContact O-OG 3.24Å; S240-S244 PolarHBondContact O-N 3.24Å; S240-S244 VanDerWaalsContact O-N 3.17Å; S240-S244 PolarHBondContact O-OG 3.22Å; D241-S244 WeakPolarHBondContact O-CB 3.42Å; D241-S244 PolarHBondContact O-N 2.55Å; S244-L247 PolarHBondContact O-N 3.39Å; S244-L248 WeakPolarHBondContact O-CB 3.11Å; S244-L248 PolarHBondContact O-N 3.48Å
245L94.3Very high91.1Very high0 Ų022.2 Ų22.20%011%0.111CC..Hα-helixtrans-63.7-42.7174.3-178.164.8000111.4L150 L157 L171 D241 M242 F243 L247 L248 I249 M298 Y312L150-L245 HydrophobicContact CD2-CD1 4.27Å; L157-L245 HydrophobicContact CD1-CB 4.38Å; L157-L245 HydrophobicContact CD1-CD1 4.49Å; L157-L245 HydrophobicContact CD1-CD2 4.04Å; L171-L245 HydrophobicContact CD2-CB 3.72Å; L171-L245 HydrophobicContact CD2-CD1 3.97Å; L171-L245 HydrophobicContact CD2-CG 4.44Å; D241-L245 PolarHBondContact O-N 2.9Å; M242-L245 HydrophobicContact CE-CD2 3.8Å; M242-L245 PolarHBondContact O-N 2.59Å; F243-L245 VanDerWaalsContact C-N 3.27Å; F243-L245 PolarHBondContact O-N 2.99Å; L245-L247 VanDerWaalsContact C-N 3.31Å; L245-L247 PolarHBondContact O-N 3.17Å; L245-L248 PolarHBondContact O-N 2.9Å; L245-I249 HydrophobicContact CG-CD1 4.11Å; L245-I249 VanDerWaalsContact O-CG1 3.27Å; L245-I249 WeakPolarHBondContact O-CG1 3.28Å; L245-I249 PolarHBondContact O-N 3.2Å; L245-M298 HydrophobicContact CD2-CE 4Å; L245-M298 HydrophobicContact CG-CE 4.5Å; L245-M298 HydrophobicContact CG-SD 4.5Å; L245-Y312 HydrophobicContact CD2-CE2 3.83Å
246G92.4Very high90.6Very high0 Ų020.1 Ų20.10%011%0.109CC..Hα-helixtrans-58.6-40.2173.100000113.1M242 F243 C250M242-G246 PolarHBondContact O-N 3.3Å; M242-G246 VanDerWaalsContact O-N 3.09Å; F243-G246 PolarHBondContact O-N 3Å; F243-G246 VanDerWaalsContact O-N 3.13Å; G246-C250 PolarHBondContact O-N 3.25Å; G246-C250 VanDerWaalsContact O-N 3.11Å; G246-C250 PolarHBondContact O-SG 3.14Å; G246-C250 VanDerWaalsContact O-SG 3.34Å
247L93Very high90.2Very high4 Ų426.3 Ų26.32%0.02114%0.136CC..Hα-helixtrans-68.7-40.2175.2-68.3179.7000112F243 S244 L245 C250 A251 I259 L260 L299F243-L247 HydrophobicContact CD1-CD1 3.94Å; F243-L247 HydrophobicContact CD1-CG 4.18Å; F243-L247 HydrophobicContact CE1-CD1 3.67Å; F243-L247 HydrophobicContact CE1-CD2 4.4Å; F243-L247 HydrophobicContact CE1-CG 4.01Å; F243-L247 PolarHBondContact O-N 2.88Å; S244-L247 PolarHBondContact O-N 3.39Å; L245-L247 VanDerWaalsContact C-N 3.31Å; L245-L247 PolarHBondContact O-N 3.17Å; L247-C250 WeakPolarHBondContact O-CB 3.45Å; L247-C250 PolarHBondContact O-N 3.43Å; L247-A251 PolarHBondContact O-N 3.18Å; L247-I259 HydrophobicContact CD2-CG2 3.59Å; L247-L260 HydrophobicContact CD1-CD1 3.83Å; L247-L260 HydrophobicContact CD2-CD1 4.11Å; L247-L260 HydrophobicContact CD2-CG 4.09Å; L247-L299 HydrophobicContact CD2-CD2 3.74Å; L247-L299 HydrophobicContact CG-CD2 3.8Å
248L92.9Very high89.8Confident4 Ų426 Ų262%0.02114%0.135CC..Hα-helixtrans-63.1-41.8175.6178.861000111.8L119 L153 L171 P173 V176 S244 L245 A251 L252L119-L248 HydrophobicContact CD2-CD1 4.33Å; L153-L248 HydrophobicContact CD1-CD2 3.74Å; L171-L248 HydrophobicContact CD1-CD2 4.08Å; L171-L248 HydrophobicContact CD2-CD2 4.48Å; L171-L248 HydrophobicContact CG-CD2 3.98Å; P173-L248 HydrophobicContact CG-CD1 3.79Å; V176-L248 HydrophobicContact CG2-CD2 4.27Å; S244-L248 WeakPolarHBondContact O-CB 3.11Å; S244-L248 PolarHBondContact O-N 3.48Å; L245-L248 PolarHBondContact O-N 2.9Å; L248-A251 PolarHBondContact O-N 2.76Å; L248-L252 HydrophobicContact CD1-CD1 4.43Å; L248-L252 HydrophobicContact CG-CD1 4.16Å; L248-L252 WeakPolarHBondContact O-CG 3.29Å; L248-L252 PolarHBondContact O-N 3.42Å
249I91.7Very high89.5Confident1 Ų124.3 Ų24.31%0.00512%0.121CC..Hα-helixtrans-59.7-47.8173.6-67.3163.7000110.1L150 L245 A251 L252 F253 L291 V295 M298L150-I249 HydrophobicContact CD1-CG1 3.89Å; L150-I249 HydrophobicContact CD2-CD1 4.35Å; L150-I249 HydrophobicContact CD2-CG1 3.53Å; L150-I249 HydrophobicContact CG-CG1 4.35Å; L245-I249 HydrophobicContact CG-CD1 4.11Å; L245-I249 VanDerWaalsContact O-CG1 3.27Å; L245-I249 WeakPolarHBondContact O-CG1 3.28Å; L245-I249 PolarHBondContact O-N 3.2Å; I249-A251 VanDerWaalsContact C-N 3.33Å; I249-A251 PolarHBondContact O-N 2.69Å; I249-L252 PolarHBondContact O-N 3.4Å; I249-F253 HydrophobicContact CG2-CD2 3.96Å; I249-F253 HydrophobicContact CG2-CE2 4.05Å; I249-F253 WeakPolarHBondContact O-CD2 3.45Å; I249-F253 PolarHBondContact O-N 3.2Å; I249-L291 HydrophobicContact CG2-CD1 4.28Å; I249-V295 HydrophobicContact CB-CG2 4.22Å; I249-V295 HydrophobicContact CD1-CG2 4.12Å; I249-V295 HydrophobicContact CG2-CG2 3.67Å; I249-M298 HydrophobicContact CD1-CE 4.29Å; I249-M298 HydrophobicContact CD1-SD 3.91Å
250C89.8Confident89.2Confident0 Ų023.7 Ų23.70%012%0.115CC..Hα-helixtrans-58.9-43175.7-71.70000112.4G246 L247 L252 N254 I259 L285G246-C250 PolarHBondContact O-N 3.25Å; G246-C250 VanDerWaalsContact O-N 3.11Å; G246-C250 PolarHBondContact O-SG 3.14Å; G246-C250 VanDerWaalsContact O-SG 3.34Å; L247-C250 WeakPolarHBondContact O-CB 3.45Å; L247-C250 PolarHBondContact O-N 3.43Å; C250-L252 PolarHBondContact O-N 2.67Å; C250-N254 WeakPolarHBondContact O-CB 3.38Å; C250-N254 PolarHBondContact O-N 3.32Å; C250-N254 VanDerWaalsContact O-N 3.08Å; C250-I259 HydrophobicContact CB-CB 4.2Å; C250-I259 HydrophobicContact CB-CG2 4.15Å; C250-L285 HydrophobicContact CB-CD2 3.91Å
251A89.3Confident88.7Confident7 Ų729.7 Ų29.76%0.05815%0.147CC..Hα-helixtrans-64.4-38.4178.200000112.3L247 L248 I249 N254 R255 G256L247-A251 PolarHBondContact O-N 3.18Å; L248-A251 PolarHBondContact O-N 2.76Å; I249-A251 VanDerWaalsContact C-N 3.33Å; I249-A251 PolarHBondContact O-N 2.69Å; A251-N254 CarbonylContact O-C 3.58Å; A251-N254 PolarHBondContact O-N 3.17Å; A251-R255 PolarHBondContact O-N 2.97Å; A251-G256 WeakPolarHBondContact O-CA 3.33Å; A251-G256 PolarHBondContact O-N 3.2Å
252L89.7Confident88.3Confident9 Ų930.3 Ų30.35%0.04715%0.151CC..Hα-helixtrans-61.2-51.7177-79.8162.3000112.4L119 L123 I146 L150 W184 L248 I249 C250 N254 R255L119-L252 HydrophobicContact CD1-CD2 3.95Å; L119-L252 HydrophobicContact CD2-CD2 4.11Å; L119-L252 HydrophobicContact CG-CD2 4.32Å; L123-L252 HydrophobicContact CD1-CD2 3.97Å; L123-L252 HydrophobicContact CD2-CD2 4.33Å; I146-L252 HydrophobicContact CG2-CB 4.37Å; I146-L252 HydrophobicContact CG2-CD1 4.32Å; L150-L252 HydrophobicContact CD2-CD1 3.86Å; L150-L252 HydrophobicContact CG-CD1 4.35Å; W184-L252 HydrophobicContact CH2-CD1 3.87Å; W184-L252 HydrophobicContact CH2-CD2 3.82Å; W184-L252 HydrophobicContact CZ3-CD1 3.99Å; L248-L252 HydrophobicContact CD1-CD1 4.43Å; L248-L252 HydrophobicContact CG-CD1 4.16Å; L248-L252 WeakPolarHBondContact O-CG 3.29Å; L248-L252 PolarHBondContact O-N 3.42Å; I249-L252 PolarHBondContact O-N 3.4Å; C250-L252 PolarHBondContact O-N 2.67Å; L252-N254 PolarHBondContact O-N 2.97Å; L252-R255 PolarHBondContact O-N 3.01Å
253F85.8Confident87.8Confident39 Ų3932 Ų3217%0.17117%0.168CC..Hα-helixtrans-71.5-11177-71.9-76.2000113.4I146 I249 L287 P288 L291I146-F253 HydrophobicContact CG2-CE2 4.34Å; I146-F253 HydrophobicContact CG2-CZ 4.19Å; I249-F253 HydrophobicContact CG2-CD2 3.96Å; I249-F253 HydrophobicContact CG2-CE2 4.05Å; I249-F253 WeakPolarHBondContact O-CD2 3.45Å; I249-F253 PolarHBondContact O-N 3.2Å; F253-L287 HydrophobicContact CB-CD1 3.84Å; F253-L287 HydrophobicContact CD2-CD1 4.19Å; F253-L287 HydrophobicContact CD2-CG 4.24Å; F253-L287 HydrophobicContact CG-CD1 4.14Å; F253-P288 HydrophobicContact CE1-CG 4.03Å; F253-P288 HydrophobicContact CZ-CG 3.88Å; F253-L291 HydrophobicContact CE2-CD1 3.7Å; F253-L291 HydrophobicContact CZ-CD1 4.08Å
254N84.3Confident87.3Confident55 Ų5536.8 Ų36.829%0.29419%0.194SC..THydrogen-bonded Turntrans-105.426.3175.1-160.829.2000113.3C250 A251 L252 G256 K257 L285C250-N254 WeakPolarHBondContact O-CB 3.38Å; C250-N254 PolarHBondContact O-N 3.32Å; C250-N254 VanDerWaalsContact O-N 3.08Å; A251-N254 CarbonylContact O-C 3.58Å; A251-N254 PolarHBondContact O-N 3.17Å; L252-N254 PolarHBondContact O-N 2.97Å; N254-G256 VanDerWaalsContact C-N 3.33Å; N254-G256 PolarHBondContact O-N 2.97Å; N254-K257 WeakPolarHBondContact CB-O 3.39Å; N254-K257 WeakPolarHBondContact ND2-CB 3.1Å; N254-K257 PolarHBondContact ND2-O 3.13Å; N254-K257 PolarHBondContact O-N 2.92Å; N254-K257 VanDerWaalsContact O-N 3.13Å; N254-L285 HydrophobicContact CB-CD1 3.86Å
255R78.5Confident87Confident183 Ų18340.4 Ų40.469%0.69121%0.213SC*.THydrogen-bonded Turntrans52.345.6178.1-52.7-174.2-172.6-171.42.3113.6A251 L252 K257A251-R255 PolarHBondContact O-N 2.97Å; L252-R255 PolarHBondContact O-N 3.01Å; R255-K257 VanDerWaalsContact C-N 3.34Å; R255-K257 PolarHBondContact O-N 2.92Å
256G78.3Confident86.7Confident29 Ų2942.4 Ų42.430%0.29922%0.221SC..THydrogen-bonded Turntrans86.5-13.7178.800000115.9A251 N254 S258A251-G256 WeakPolarHBondContact O-CA 3.33Å; A251-G256 PolarHBondContact O-N 3.2Å; N254-G256 VanDerWaalsContact C-N 3.33Å; N254-G256 PolarHBondContact O-N 2.97Å; G256-S258 PolarHBondContact O-N 3.39Å
257K82.7Confident86.5Confident129 Ų12948.2 Ų48.256%0.56125%0.248SC*.  trans-78.4121.2-178.5-64.6-177.4-179-176.80111N254 R255N254-K257 WeakPolarHBondContact CB-O 3.39Å; N254-K257 WeakPolarHBondContact ND2-CB 3.1Å; N254-K257 PolarHBondContact ND2-O 3.13Å; N254-K257 PolarHBondContact O-N 2.92Å; N254-K257 VanDerWaalsContact O-N 3.13Å; R255-K257 VanDerWaalsContact C-N 3.34Å; R255-K257 PolarHBondContact O-N 2.92Å
258S85.1Confident86.4Confident22 Ų2249 Ų4915%0.15425%0.254CS..  trans-59145.1174.6-1780000110.8N224 G256 L260N224-S258 PolarHBondContact O-OG 3.38Å; G256-S258 PolarHBondContact O-N 3.39Å; S258-L260 VanDerWaalsContact C-N 3.26Å; S258-L260 PolarHBondContact O-N 2.87Å; S258-L260 PolarHBondContact OG-N 3.28Å
259I85.1Confident86.4Confident1 Ų148.8 Ų48.81%0.00525%0.253CS..SBendtrans-68.9-28.1175.7-170.3169.9000112.2L247 C250 L276 L280 K283 L285L247-I259 HydrophobicContact CD2-CG2 3.59Å; C250-I259 HydrophobicContact CB-CB 4.2Å; C250-I259 HydrophobicContact CB-CG2 4.15Å; I259-L276 HydrophobicContact CD1-CD1 4.09Å; I259-L276 HydrophobicContact CG1-CD1 4.37Å; I259-L276 HydrophobicContact CG2-CD1 4Å; I259-L280 HydrophobicContact CD1-CD2 3.5Å; I259-L280 VanDerWaalsContact CD1-CD2 3.5Å; I259-L280 HydrophobicContact CD1-CG 4.03Å; I259-K283 HydrophobicContact CG1-CD 4.47Å; I259-K283 PolarHBondContact O-NZ 3.12Å; I259-K283 VanDerWaalsContact O-NZ 3.07Å; I259-L285 HydrophobicContact CD1-CD2 4.31Å
260L86.5Confident86.3Confident7 Ų753.3 Ų53.34%0.03727%0.273CS..SBendtrans-77.4-49.6-179.6-63.5178.4000111.6L247 S258 V262 Y269 T272 V273 L276L247-L260 HydrophobicContact CD1-CD1 3.83Å; L247-L260 HydrophobicContact CD2-CD1 4.11Å; L247-L260 HydrophobicContact CD2-CG 4.09Å; S258-L260 VanDerWaalsContact C-N 3.26Å; S258-L260 PolarHBondContact O-N 2.87Å; S258-L260 PolarHBondContact OG-N 3.28Å; L260-V262 VanDerWaalsContact C-N 3.33Å; L260-V262 HydrophobicContact CB-CG1 4.36Å; L260-V262 HydrophobicContact CB-CG2 4.48Å; L260-V262 WeakPolarHBondContact O-CG1 3.37Å; L260-V262 PolarHBondContact O-N 3.45Å; L260-Y269 HydrophobicContact CD1-CD2 4.32Å; L260-Y269 HydrophobicContact CD1-CE2 4.07Å; L260-T272 HydrophobicContact CB-CG2 4.46Å; L260-T272 HydrophobicContact CD2-CG2 3.8Å; L260-V273 HydrophobicContact CD1-CG2 4.28Å; L260-V273 HydrophobicContact CD2-CG2 3.93Å; L260-L276 HydrophobicContact CD2-CD1 4.07Å
261D85.3Confident86.3Confident127 Ų12761.3 Ų61.368%0.67930%0.303SS*.  trans49.947.5177.1-156.425.8000113.7N224N224-D261 PolarHBondContact OD1-N 3.31Å
262V86.1Confident86.3Confident14 Ų1462.1 Ų62.19%0.08531%0.307CS..  trans-100.1-2.5-175-63.20000113.8L223 N224 L260 D264 D265 A268 Y269 T272L223-V262 HydrophobicContact CB-CG2 4.03Å; N224-V262 WeakPolarHBondContact OD1-CG2 3.16Å; N224-V262 PolarHBondContact OD1-N 3.43Å; L260-V262 VanDerWaalsContact C-N 3.33Å; L260-V262 HydrophobicContact CB-CG1 4.36Å; L260-V262 HydrophobicContact CB-CG2 4.48Å; L260-V262 WeakPolarHBondContact O-CG1 3.37Å; L260-V262 PolarHBondContact O-N 3.45Å; V262-D264 PolarHBondContact O-N 3.45Å; V262-D265 PolarHBondContact O-N 2.99Å; V262-D265 VanDerWaalsContact O-N 3.12Å; V262-A268 HydrophobicContact CB-CB 3.91Å; V262-A268 HydrophobicContact CG1-CB 3.88Å; V262-Y269 HydrophobicContact CG2-CD2 4.27Å; V262-T272 HydrophobicContact CG1-CG2 4.37Å
263G84.2Confident86.2Confident37 Ų3762 Ų6238%0.38131%0.307SS..THydrogen-bonded Turntrans53.2-129.9-17200000110.9N224N224-G263 PolarHBondContact ND2-N 3.32Å; N224-G263 PolarHBondContact ND2-O 2.97Å
264D83.7Confident86.3Confident101 Ų10168.1 Ų68.154%0.5433%0.334SS..THydrogen-bonded Turntrans-100.916.3178.1-58.2-41.9000113.3W211 P217 V262 Y266W211-D264 WeakPolarHBondContact CH2-O 3.49Å; P217-D264 HydrophobicContact CB-CB 4.07Å; P217-D264 VanDerWaalsContact CB-CG 3.45Å; P217-D264 VanDerWaalsContact CB-OD1 3.23Å; P217-D264 WeakPolarHBondContact CB-OD1 3.49Å; P217-D264 HydrophobicContact CG-CB 3.71Å; P217-D264 VanDerWaalsContact CG-CG 3.44Å; V262-D264 PolarHBondContact O-N 3.45Å; D264-Y266 PolarHBondContact O-N 3.2Å
265D87.7Confident86.3Confident79 Ų7970.1 Ų70.142%0.42234%0.341SS..  trans-89.3105.9179-179.99000112.6V262 H267 A268 Y269V262-D265 PolarHBondContact O-N 2.99Å; V262-D265 VanDerWaalsContact O-N 3.12Å; D265-H267 VanDerWaalsContact C-N 3.31Å; D265-H267 PolarHBondContact O-N 3.37Å; D265-H267 WeakPolarHBondContact OD1-CA 3.31Å; D265-H267 WeakPolarHBondContact OD1-CB 3.4Å; D265-H267 IonicContact OD1-CD2 3.85Å; D265-H267 PolarHBondContact OD1-N 3.48Å; D265-A268 HydrophobicContact CB-CB 3.83Å; D265-A268 VanDerWaalsContact CG-N 3.34Å; D265-A268 PolarHBondContact O-N 3.45Å; D265-A268 PolarHBondContact OD1-N 3Å; D265-A268 VanDerWaalsContact OD2-CB 3.29Å; D265-A268 WeakPolarHBondContact OD2-CB 3.38Å; D265-A268 PolarHBondContact OD2-N 3.29Å; D265-Y269 PolarHBondContact O-N 3.46Å
266Y88.3Confident86.6Confident42 Ų4261.5 Ų61.517%0.16531%0.309CS..Hα-helixtrans-59.1-33.6173.6177.6-104.1000114.4W211 I231 L232 D264 K270W211-Y266 HydrophobicContact CB-CD2 4.47Å; W211-Y266 AromaticContact CE3-CD2 3.95Å; W211-Y266 HydrophobicContact CE3-CD2 3.95Å; W211-Y266 HydrophobicContact CE3-CG 4.09Å; W211-Y266 HydrophobicContact CZ3-CG 4.4Å; I231-Y266 HydrophobicContact CG2-CD2 3.96Å; I231-Y266 HydrophobicContact CG2-CE2 3.79Å; L232-Y266 HydrophobicContact CD2-CE2 3.82Å; D264-Y266 PolarHBondContact O-N 3.2Å; Y266-K270 WeakPolarHBondContact O-CB 3.37Å; Y266-K270 PolarHBondContact O-N 3.04Å
267H89.7Confident86.6Confident123 Ų12363 Ų6357%0.56931%0.314SS*.Hα-helixtrans-75-38178-66.8-77.1000111.6D265 R271D265-H267 VanDerWaalsContact C-N 3.31Å; D265-H267 PolarHBondContact O-N 3.37Å; D265-H267 WeakPolarHBondContact OD1-CA 3.31Å; D265-H267 WeakPolarHBondContact OD1-CB 3.4Å; D265-H267 IonicContact OD1-CD2 3.85Å; D265-H267 PolarHBondContact OD1-N 3.48Å; H267-R271 PolarHBondContact O-N 3.01Å
268A90.9Very high86.4Confident19 Ų1960 Ų6016%0.15731%0.309CS..Hα-helixtrans-60.8-49.2168.100000110.8V262 D265 K270 R271 T272V262-A268 HydrophobicContact CB-CB 3.91Å; V262-A268 HydrophobicContact CG1-CB 3.88Å; D265-A268 HydrophobicContact CB-CB 3.83Å; D265-A268 VanDerWaalsContact CG-N 3.34Å; D265-A268 PolarHBondContact O-N 3.45Å; D265-A268 PolarHBondContact OD1-N 3Å; D265-A268 VanDerWaalsContact OD2-CB 3.29Å; D265-A268 WeakPolarHBondContact OD2-CB 3.38Å; D265-A268 PolarHBondContact OD2-N 3.29Å; A268-K270 PolarHBondContact O-N 2.58Å; A268-R271 WeakPolarHBondContact O-CB 3.42Å; A268-R271 PolarHBondContact O-N 2.64Å; A268-T272 PolarHBondContact O-N 2.87Å; A268-T272 PolarHBondContact O-OG1 3.29Å; A268-T272 VanDerWaalsContact O-OG1 3.07Å
269Y91.5Very high86.2Confident0 Ų060.4 Ų60.40%031%0.309CS..Hα-helixtrans-50.4-53.4175.2179.1-93.7000112.2L223 S226 S227 P228 I231 L232 L260 V262 D265 R271 T272 V273L223-Y269 HydrophobicContact CB-CD2 3.98Å; L223-Y269 HydrophobicContact CB-CG 4.45Å; L223-Y269 HydrophobicContact CD2-CD2 4.35Å; L223-Y269 HydrophobicContact CD2-CG 4.2Å; L223-Y269 WeakPolarHBondContact O-CD2 3.43Å; L223-Y269 WeakPolarHBondContact O-CE2 3.45Å; S226-Y269 PolarHBondContact O-OH 3.15Å; S227-Y269 PolarHBondContact O-OH 2.86Å; S227-Y269 VanDerWaalsContact O-OH 3.08Å; P228-Y269 WeakPolarHBondContact CA-OH 3.24Å; P228-Y269 VanDerWaalsContact N-OH 3.17Å; I231-Y269 HydrophobicContact CB-CD1 4.33Å; I231-Y269 HydrophobicContact CB-CE1 3.59Å; I231-Y269 HydrophobicContact CG1-CE1 4.02Å; I231-Y269 HydrophobicContact CG1-CE2 4.42Å; I231-Y269 HydrophobicContact CG2-CD1 3.66Å; I231-Y269 HydrophobicContact CG2-CE1 3.44Å; I231-Y269 VanDerWaalsContact CG2-CE1 3.44Å; I231-Y269 HydrophobicContact CG2-CG 4.49Å; L232-Y269 HydrophobicContact CD2-CE1 4.49Å; L232-Y269 HydrophobicContact CG-CE1 4.44Å; L260-Y269 HydrophobicContact CD1-CD2 4.32Å; L260-Y269 HydrophobicContact CD1-CE2 4.07Å; V262-Y269 HydrophobicContact CG2-CD2 4.27Å; D265-Y269 PolarHBondContact O-N 3.46Å; Y269-R271 PolarHBondContact O-N 2.77Å; Y269-R271 VanDerWaalsContact O-N 3.16Å; Y269-T272 PolarHBondContact O-N 3.44Å; Y269-V273 HydrophobicContact CD1-CG2 4.31Å; Y269-V273 HydrophobicContact CD2-CG2 3.86Å; Y269-V273 HydrophobicContact CE1-CG2 3.98Å; Y269-V273 HydrophobicContact CE2-CG2 3.52Å; Y269-V273 HydrophobicContact CG-CG2 4.24Å; Y269-V273 WeakPolarHBondContact O-CG2 3.4Å; Y269-V273 PolarHBondContact O-N 3.08Å
270K90.1Very high85.8Confident96 Ų9662.4 Ų62.442%0.41732%0.32SS..Hα-helixtrans-61.9-24.4-179.1-172.1171.3-177.7171.70113.7L232 Y266 A268L232-K270 HydrophobicContact CD2-CB 4.33Å; L232-K270 HydrophobicContact CD2-CD 4.21Å; L232-K270 HydrophobicContact CD2-CG 4.16Å; Y266-K270 WeakPolarHBondContact O-CB 3.37Å; Y266-K270 PolarHBondContact O-N 3.04Å; A268-K270 PolarHBondContact O-N 2.58Å
271R90Very high85.2Confident168 Ų16867 Ų6763%0.63435%0.353SS*.Hα-helixtrans-83.2-52.1173.8-172.1-174.1-62.9147.22.2111.2H267 A268 Y269 V273 K274H267-R271 PolarHBondContact O-N 3.01Å; A268-R271 WeakPolarHBondContact O-CB 3.42Å; A268-R271 PolarHBondContact O-N 2.64Å; Y269-R271 PolarHBondContact O-N 2.77Å; Y269-R271 VanDerWaalsContact O-N 3.16Å; R271-V273 PolarHBondContact O-N 3.24Å; R271-K274 PolarHBondContact O-N 3.16Å
272T89.1Confident84.3Confident24 Ų2465.2 Ų65.215%0.14735%0.35CS..Hα-helixtrans-65.4-39.9-173.6-55.40000112.2L260 V262 A268 Y269 K274 Q275 L276 L279L260-T272 HydrophobicContact CB-CG2 4.46Å; L260-T272 HydrophobicContact CD2-CG2 3.8Å; V262-T272 HydrophobicContact CG1-CG2 4.37Å; A268-T272 PolarHBondContact O-N 2.87Å; A268-T272 PolarHBondContact O-OG1 3.29Å; A268-T272 VanDerWaalsContact O-OG1 3.07Å; Y269-T272 PolarHBondContact O-N 3.44Å; T272-K274 VanDerWaalsContact C-N 3.3Å; T272-K274 PolarHBondContact O-N 2.95Å; T272-Q275 CarbonylContact O-C 3.45Å; T272-Q275 WeakPolarHBondContact O-CA 3.4Å; T272-Q275 PolarHBondContact O-N 3.25Å; T272-L276 PolarHBondContact O-N 3.41Å; T272-L279 HydrophobicContact CG2-CD1 3.67Å
273V88.2Confident83.2Confident8 Ų868.9 Ų68.95%0.04836%0.364CS..Hα-helixtrans-65.1-32.6-179.8175.80000112.4P228 F243 L260 Y269 R271 Q275 L276P228-V273 HydrophobicContact CB-CG1 3.92Å; P228-V273 HydrophobicContact CG-CG1 4.05Å; F243-V273 HydrophobicContact CZ-CG1 4.39Å; L260-V273 HydrophobicContact CD1-CG2 4.28Å; L260-V273 HydrophobicContact CD2-CG2 3.93Å; Y269-V273 HydrophobicContact CD1-CG2 4.31Å; Y269-V273 HydrophobicContact CD2-CG2 3.86Å; Y269-V273 HydrophobicContact CE1-CG2 3.98Å; Y269-V273 HydrophobicContact CE2-CG2 3.52Å; Y269-V273 HydrophobicContact CG-CG2 4.24Å; Y269-V273 WeakPolarHBondContact O-CG2 3.4Å; Y269-V273 PolarHBondContact O-N 3.08Å; R271-V273 PolarHBondContact O-N 3.24Å; V273-Q275 PolarHBondContact O-N 2.85Å; V273-L276 VanDerWaalsContact O-CB 3.31Å; V273-L276 WeakPolarHBondContact O-CB 3.49Å; V273-L276 PolarHBondContact O-N 3.13Å
274K86.3Confident82.1Confident166 Ų16671.2 Ų71.272%0.72239%0.388SS*.Hα-helixtrans-66.8-24.6171.8-67.8-174.2175.5-1650113.2R271 T272R271-K274 PolarHBondContact O-N 3.16Å; T272-K274 VanDerWaalsContact C-N 3.3Å; T272-K274 PolarHBondContact O-N 2.95Å
275Q85Confident81.5Confident97 Ų9767.5 Ų67.545%0.45337%0.369SS..Hα-helixtrans-96.1-3.8179.6-65177.2-18.400112.4T272 V273 P277 S278 L279T272-Q275 CarbonylContact O-C 3.45Å; T272-Q275 WeakPolarHBondContact O-CA 3.4Å; T272-Q275 PolarHBondContact O-N 3.25Å; V273-Q275 PolarHBondContact O-N 2.85Å; Q275-P277 VanDerWaalsContact C-CD 3.48Å; Q275-S278 WeakPolarHBondContact O-CA 3.49Å; Q275-S278 PolarHBondContact O-N 3.03Å; Q275-S278 PolarHBondContact O-OG 3.27Å; Q275-L279 HydrophobicContact CB-CD1 4.39Å; Q275-L279 HydrophobicContact CB-CG 4.47Å; Q275-L279 PolarHBondContact O-N 2.78Å
276L84.6Confident80.8Confident2 Ų270.2 Ų70.21%0.0138%0.383CS..Hα-helixtrans-53.9-41.4-174.4-172.760.4000114.2F243 I259 L260 T272 V273 S278 L279 L280 L299F243-L276 HydrophobicContact CE2-CD2 4.05Å; F243-L276 HydrophobicContact CZ-CD2 3.63Å; I259-L276 HydrophobicContact CD1-CD1 4.09Å; I259-L276 HydrophobicContact CG1-CD1 4.37Å; I259-L276 HydrophobicContact CG2-CD1 4Å; L260-L276 HydrophobicContact CD2-CD1 4.07Å; T272-L276 PolarHBondContact O-N 3.41Å; V273-L276 VanDerWaalsContact O-CB 3.31Å; V273-L276 WeakPolarHBondContact O-CB 3.49Å; V273-L276 PolarHBondContact O-N 3.13Å; L276-S278 VanDerWaalsContact C-N 3.3Å; L276-S278 PolarHBondContact O-N 3.35Å; L276-L279 PolarHBondContact O-N 3.33Å; L276-L280 HydrophobicContact CD1-CG 4.46Å; L276-L280 HydrophobicContact CG-CD1 4.35Å; L276-L280 WeakPolarHBondContact O-CG 3.37Å; L276-L280 PolarHBondContact O-N 2.95Å; L276-L299 HydrophobicContact CD2-CB 3.97Å; L276-L299 HydrophobicContact CD2-CD1 4.38Å; L276-L299 HydrophobicContact CD2-CD2 4.19Å; L276-L299 HydrophobicContact CD2-CG 4.4Å
277P79Confident80.3Confident61 Ų6168.6 Ų68.640%0.39638%0.377SS..Hα-helixtrans-60.8-36175.2-24.335.6000113.6Q275 S281Q275-P277 VanDerWaalsContact C-CD 3.48Å; P277-S281 PolarHBondContact O-OG 3Å; P277-S281 VanDerWaalsContact O-OG 3.04Å
278S79Confident79.8Confident67 Ų6764.1 Ų64.147%0.46936%0.359SS..Hα-helixtrans-74.1-37.5174.764.50000112.5Q275 L276 L280 S281 S282Q275-S278 WeakPolarHBondContact O-CA 3.49Å; Q275-S278 PolarHBondContact O-N 3.03Å; Q275-S278 PolarHBondContact O-OG 3.27Å; L276-S278 VanDerWaalsContact C-N 3.3Å; L276-S278 PolarHBondContact O-N 3.35Å; S278-L280 VanDerWaalsContact C-N 3.34Å; S278-L280 PolarHBondContact O-N 3.21Å; S278-S281 CarbonylContact O-C 3.59Å; S278-S281 WeakPolarHBondContact O-CA 3.01Å; S278-S281 WeakPolarHBondContact O-CB 3.42Å; S278-S281 PolarHBondContact O-N 2.99Å; S278-S282 PolarHBondContact O-N 3.41Å; S278-S282 PolarHBondContact O-OG 3.05Å
279L79.4Confident79Confident29 Ų2969.5 Ų69.515%0.15239%0.385CS..Hα-helixtrans-64.9-38179.3-69.1171.8000112.1T272 Q275 L276 S281 S282 K283T272-L279 HydrophobicContact CG2-CD1 3.67Å; Q275-L279 HydrophobicContact CB-CD1 4.39Å; Q275-L279 HydrophobicContact CB-CG 4.47Å; Q275-L279 PolarHBondContact O-N 2.78Å; L276-L279 PolarHBondContact O-N 3.33Å; L279-S281 PolarHBondContact O-N 3.46Å; L279-S282 PolarHBondContact O-N 2.94Å; L279-K283 WeakPolarHBondContact O-CB 3.47Å; L279-K283 PolarHBondContact O-N 3.19Å
280L78Confident78.3Confident44 Ų4473.4 Ų73.423%0.2341%0.406CS..Hα-helixtrans-64.5-21.2172.8-70.9166.1000113.3I259 L276 S278 L285 L299I259-L280 HydrophobicContact CD1-CD2 3.5Å; I259-L280 VanDerWaalsContact CD1-CD2 3.5Å; I259-L280 HydrophobicContact CD1-CG 4.03Å; L276-L280 HydrophobicContact CD1-CG 4.46Å; L276-L280 HydrophobicContact CG-CD1 4.35Å; L276-L280 WeakPolarHBondContact O-CG 3.37Å; L276-L280 PolarHBondContact O-N 2.95Å; S278-L280 VanDerWaalsContact C-N 3.34Å; S278-L280 PolarHBondContact O-N 3.21Å; L280-L285 HydrophobicContact CD2-CD2 4.49Å; L280-L299 HydrophobicContact CD1-CB 4.04Å; L280-L299 HydrophobicContact CD1-CD1 3.82Å; L280-L299 HydrophobicContact CD2-CD1 3.85Å; L280-L299 HydrophobicContact CG-CD1 4.35Å
281S74.1Confident77.9Confident104 Ų10468.9 Ų68.973%0.72739%0.387SS*.Hα-helixtrans-96.2-24.9179-52.60000112.7P277 S278 L279P277-S281 PolarHBondContact O-OG 3Å; P277-S281 VanDerWaalsContact O-OG 3.04Å; S278-S281 CarbonylContact O-C 3.59Å; S278-S281 WeakPolarHBondContact O-CA 3.01Å; S278-S281 WeakPolarHBondContact O-CB 3.42Å; S278-S281 PolarHBondContact O-N 2.99Å; L279-S281 PolarHBondContact O-N 3.46Å
282S66.4Low77.6Confident88 Ų8865.1 Ų65.162%0.61538%0.375SS*.Hα-helixtrans-104.2-35.2-173.8680000114.7S278 L279 G284S278-S282 PolarHBondContact O-N 3.41Å; S278-S282 PolarHBondContact O-OG 3.05Å; L279-S282 PolarHBondContact O-N 2.94Å; S282-G284 PolarHBondContact O-N 3.16Å
283K62.9Low77.3Confident91 Ų9168.3 Ų68.340%0.39639%0.388SS..SBendtrans-77.1122.8170.5-68.4-176.9175.3178.70107.3I259 L279 L285I259-K283 HydrophobicContact CG1-CD 4.47Å; I259-K283 PolarHBondContact O-NZ 3.12Å; I259-K283 VanDerWaalsContact O-NZ 3.07Å; L279-K283 WeakPolarHBondContact O-CB 3.47Å; L279-K283 PolarHBondContact O-N 3.19Å; K283-L285 PolarHBondContact O-N 2.93Å
284G60.2Low77.2Confident86 Ų8669.6 Ų69.689%0.88739%0.392SS*.  trans-68.664.6-18000000113.2S282 D286S282-G284 PolarHBondContact O-N 3.16Å; G284-D286 PolarHBondContact O-N 3.24Å
285L71.1Confident77.3Confident24 Ų2461.8 Ų61.813%0.12636%0.358CS..  trans-78.9109.6-178.6-152.372.8000108.1C250 N254 I259 L280 K283 L287C250-L285 HydrophobicContact CB-CD2 3.91Å; N254-L285 HydrophobicContact CB-CD1 3.86Å; I259-L285 HydrophobicContact CD1-CD2 4.31Å; L280-L285 HydrophobicContact CD2-CD2 4.49Å; K283-L285 PolarHBondContact O-N 2.93Å; L285-L287 HydrophobicContact CB-CD1 4.03Å; L285-L287 HydrophobicContact CD2-CD1 3.44Å; L285-L287 VanDerWaalsContact CD2-CD1 3.44Å; L285-L287 HydrophobicContact CG-CD1 3.43Å; L285-L287 VanDerWaalsContact CG-CD1 3.43Å; L285-L287 PolarHBondContact O-N 3.17Å
286D72.7Confident77.4Confident135 Ų13562.7 Ų62.772%0.72236%0.361SS*.  trans-78.564.3-173.3-162.818000112.1G284G284-D286 PolarHBondContact O-N 3.24Å
287L79.2Confident77.6Confident8 Ų863 Ų634%0.04236%0.362CS..  trans-77137.6174.3-9363000110F253 L285 N289 K292 V295F253-L287 HydrophobicContact CB-CD1 3.84Å; F253-L287 HydrophobicContact CD2-CD1 4.19Å; F253-L287 HydrophobicContact CD2-CG 4.24Å; F253-L287 HydrophobicContact CG-CD1 4.14Å; L285-L287 HydrophobicContact CB-CD1 4.03Å; L285-L287 HydrophobicContact CD2-CD1 3.44Å; L285-L287 VanDerWaalsContact CD2-CD1 3.44Å; L285-L287 HydrophobicContact CG-CD1 3.43Å; L285-L287 VanDerWaalsContact CG-CD1 3.43Å; L285-L287 PolarHBondContact O-N 3.17Å; L287-N289 PolarHBondContact O-N 3.35Å; L287-K292 HydrophobicContact CB-CG 3.71Å; L287-K292 WeakPolarHBondContact O-CE 3.44Å; L287-K292 PolarHBondContact O-NZ 3.29Å; L287-V295 HydrophobicContact CD2-CB 3.9Å; L287-V295 HydrophobicContact CD2-CG1 3.97Å; L287-V295 HydrophobicContact CD2-CG2 3.78Å
288P78.2Confident78.1Confident29 Ų2960.1 Ų60.119%0.18834%0.343CS..  trans-44.6133.4162.1-29.334000111.5F253 N290 L291 K292F253-P288 HydrophobicContact CE1-CG 4.03Å; F253-P288 HydrophobicContact CZ-CG 3.88Å; P288-N290 WeakPolarHBondContact CB-OD1 3.49Å; P288-N290 PolarHBondContact O-N 2.97Å; P288-N290 VanDerWaalsContact O-N 3.14Å; P288-L291 HydrophobicContact CB-CB 4.43Å; P288-L291 HydrophobicContact CB-CD1 4.41Å; P288-L291 HydrophobicContact CB-CG 4.41Å; P288-L291 HydrophobicContact CG-CD1 4.14Å; P288-L291 WeakPolarHBondContact O-CA 3.43Å; P288-L291 WeakPolarHBondContact O-CB 3.45Å; P288-L291 PolarHBondContact O-N 3.13Å; P288-K292 PolarHBondContact O-N 2.72Å
289N75.2Confident78.7Confident133 Ų13357.1 Ų57.171%0.71132%0.322SS*.Hα-helixtrans-58-34.8-172.2-70.4-29.6000113L287 L291 K292L287-N289 PolarHBondContact O-N 3.35Å; N289-L291 VanDerWaalsContact C-N 3.3Å; N289-L291 PolarHBondContact O-N 2.81Å; N289-K292 PolarHBondContact O-N 3.01Å; N289-K292 PolarHBondContact OD1-NZ 2.98Å
290N76.2Confident79.1Confident82 Ų8256.7 Ų56.744%0.43932%0.322SS..Hα-helixtrans-67.9-18.8173.547.3-31000114.5P288 Y294P288-N290 WeakPolarHBondContact CB-OD1 3.49Å; P288-N290 PolarHBondContact O-N 2.97Å; P288-N290 VanDerWaalsContact O-N 3.14Å; N290-Y294 VanDerWaalsContact O-CD2 3.26Å; N290-Y294 WeakPolarHBondContact O-CD2 3.47Å
291L82.4Confident79.5Confident1 Ų158 Ų581%0.00533%0.334CS..Hα-helixtrans-89.8-28.6171.8-81.1-178.1000114.1I249 F253 P288 N289 E293 Y294 V295 F313I249-L291 HydrophobicContact CG2-CD1 4.28Å; F253-L291 HydrophobicContact CE2-CD1 3.7Å; F253-L291 HydrophobicContact CZ-CD1 4.08Å; P288-L291 HydrophobicContact CB-CB 4.43Å; P288-L291 HydrophobicContact CB-CD1 4.41Å; P288-L291 HydrophobicContact CB-CG 4.41Å; P288-L291 HydrophobicContact CG-CD1 4.14Å; P288-L291 WeakPolarHBondContact O-CA 3.43Å; P288-L291 WeakPolarHBondContact O-CB 3.45Å; P288-L291 PolarHBondContact O-N 3.13Å; N289-L291 VanDerWaalsContact C-N 3.3Å; N289-L291 PolarHBondContact O-N 2.81Å; L291-E293 PolarHBondContact O-N 3.29Å; L291-E293 VanDerWaalsContact O-N 3.16Å; L291-Y294 PolarHBondContact O-N 3.45Å; L291-Y294 VanDerWaalsContact O-N 3.15Å; L291-V295 HydrophobicContact CB-CG2 4.5Å; L291-V295 WeakPolarHBondContact O-CG2 3.47Å; L291-V295 PolarHBondContact O-N 3.15Å; L291-F313 HydrophobicContact CD1-CE1 3.69Å; L291-F313 HydrophobicContact CD1-CZ 3.66Å; L291-F313 HydrophobicContact CD2-CD1 4.43Å; L291-F313 HydrophobicContact CD2-CE1 3.59Å; L291-F313 HydrophobicContact CD2-CE2 4.24Å; L291-F313 HydrophobicContact CD2-CZ 3.52Å; L291-F313 HydrophobicContact CG-CE1 3.57Å; L291-F313 HydrophobicContact CG-CZ 3.85Å
292K83.7Confident80.2Confident89 Ų8954.9 Ų54.939%0.38731%0.31SS..Hα-helixtrans-54.4-38.9-172.1-73-176.9167.3101.10112.5L287 P288 N289 K296L287-K292 HydrophobicContact CB-CG 3.71Å; L287-K292 WeakPolarHBondContact O-CE 3.44Å; L287-K292 PolarHBondContact O-NZ 3.29Å; P288-K292 PolarHBondContact O-N 2.72Å; N289-K292 PolarHBondContact O-N 3.01Å; N289-K292 PolarHBondContact OD1-NZ 2.98Å; K292-K296 WeakPolarHBondContact O-CB 3.32Å; K292-K296 PolarHBondContact O-N 3.24Å; K292-K296 VanDerWaalsContact O-N 3.15Å
293E82.7Confident81.2Confident90 Ų9052.5 Ų52.542%0.42129%0.292SS..Hα-helixtrans-68.7-51.1177.3-165.1-166.1172.900112.3L291 V295 K296 M297 R696L291-E293 PolarHBondContact O-N 3.29Å; L291-E293 VanDerWaalsContact O-N 3.16Å; E293-V295 PolarHBondContact O-N 3.23Å; E293-K296 WeakPolarHBondContact O-CB 3.31Å; E293-K296 PolarHBondContact O-N 3.04Å; E293-M297 PolarHBondContact O-N 3.11Å; E293-R696 IonicContact OE1-CZ 3.99Å; E293-R696 IonicContact OE1-NE 3.94Å; E293-R696 PolarHBondContact OE1-NE 3.3Å; E293-R696 IonicContact OE1-NH2 2.71Å; E293-R696 IonicContact OE2-CZ 2.64Å; E293-R696 IonicContact OE2-NE 3.64Å; E293-R696 PolarHBondContact OE2-NE 3Å; E293-R696 IonicContact OE2-NH2 3.3Å; E293-R696 PolarHBondContact OE2-NH2 3.14Å
294Y85.4Confident82.4Confident35 Ų3553 Ų5314%0.13730%0.296CS..Hα-helixtrans-61-43.7179.4-68.6-67.4000112.3N290 L291 K296 M297 M298 Y312 L692 R696N290-Y294 VanDerWaalsContact O-CD2 3.26Å; N290-Y294 WeakPolarHBondContact O-CD2 3.47Å; L291-Y294 PolarHBondContact O-N 3.45Å; L291-Y294 VanDerWaalsContact O-N 3.15Å; Y294-K296 VanDerWaalsContact C-N 3.31Å; Y294-K296 PolarHBondContact O-N 3.1Å; Y294-M297 PolarHBondContact O-N 3.34Å; Y294-M297 VanDerWaalsContact O-N 3.14Å; Y294-M298 WeakPolarHBondContact O-CG 3.41Å; Y294-M298 PolarHBondContact O-N 2.98Å; Y294-Y312 HydrophobicContact CD1-CD1 4.01Å; Y294-Y312 HydrophobicContact CE1-CD1 4.5Å; Y294-Y312 HydrophobicContact CG-CD1 4.04Å; Y294-L692 HydrophobicContact CE1-CD1 4.25Å; Y294-L692 HydrophobicContact CE1-CD2 4.17Å; Y294-R696 PolarHBondContact OH-NH2 2.71Å
295V88.4Confident83.8Confident2 Ų249.2 Ų49.21%0.01226%0.255CS..Hα-helixtrans-64.5-37.3177.4173.90000111I249 L287 L291 E293 M297 M298 L299I249-V295 HydrophobicContact CB-CG2 4.22Å; I249-V295 HydrophobicContact CD1-CG2 4.12Å; I249-V295 HydrophobicContact CG2-CG2 3.67Å; L287-V295 HydrophobicContact CD2-CB 3.9Å; L287-V295 HydrophobicContact CD2-CG1 3.97Å; L287-V295 HydrophobicContact CD2-CG2 3.78Å; L291-V295 HydrophobicContact CB-CG2 4.5Å; L291-V295 WeakPolarHBondContact O-CG2 3.47Å; L291-V295 PolarHBondContact O-N 3.15Å; E293-V295 PolarHBondContact O-N 3.23Å; V295-M297 PolarHBondContact O-N 3.07Å; V295-M298 PolarHBondContact O-N 2.87Å; V295-L299 HydrophobicContact CG1-CD1 3.79Å; V295-L299 HydrophobicContact CG1-CG 4.33Å; V295-L299 WeakPolarHBondContact O-CB 3.47Å; V295-L299 WeakPolarHBondContact O-CG 3.23Å; V295-L299 PolarHBondContact O-N 3.08Å
296K87.3Confident84.7Confident117 Ų11748.2 Ų48.251%0.50925%0.25SC..Hα-helixtrans-63.4-38.8172.5-175.3-179.8177.9-178.30112.2K292 E293 Y294 S300K292-K296 WeakPolarHBondContact O-CB 3.32Å; K292-K296 PolarHBondContact O-N 3.24Å; K292-K296 VanDerWaalsContact O-N 3.15Å; E293-K296 WeakPolarHBondContact O-CB 3.31Å; E293-K296 PolarHBondContact O-N 3.04Å; Y294-K296 VanDerWaalsContact C-N 3.31Å; Y294-K296 PolarHBondContact O-N 3.1Å; K296-S300 PolarHBondContact O-N 3.14Å
297M87.5Confident85.4Confident8 Ų841.8 Ų41.84%0.03922%0.216CC..Hα-helixtrans-68.8-44.1174.9-66.5175.864.900112E293 Y294 V295 L299 S300 L692 K695 R696E293-M297 PolarHBondContact O-N 3.11Å; Y294-M297 PolarHBondContact O-N 3.34Å; Y294-M297 VanDerWaalsContact O-N 3.14Å; V295-M297 PolarHBondContact O-N 3.07Å; M297-L299 VanDerWaalsContact C-N 3.31Å; M297-L299 PolarHBondContact O-N 2.97Å; M297-S300 WeakPolarHBondContact O-CB 3.32Å; M297-S300 PolarHBondContact O-N 3.18Å; M297-L692 HydrophobicContact CE-CD1 4.34Å; M297-K695 HydrophobicContact CE-CB 3.86Å; M297-R696 HydrophobicContact CE-CG 4.21Å; M297-R696 HydrophobicContact SD-CG 3.94Å
298M90.6Very high85.7Confident0 Ų044.8 Ų44.80%023%0.232CC..Hα-helixtrans-58-42175.5-73.2171.9-178.400112.3M242 F243 L245 I249 Y294 V295 S300 R306 P307 Y312M242-M298 WeakPolarHBondContact O-CB 3.33Å; F243-M298 VanDerWaalsContact CD2-O 3.29Å; F243-M298 WeakPolarHBondContact CD2-O 3.35Å; L245-M298 HydrophobicContact CD2-CE 4Å; L245-M298 HydrophobicContact CG-CE 4.5Å; L245-M298 HydrophobicContact CG-SD 4.5Å; I249-M298 HydrophobicContact CD1-CE 4.29Å; I249-M298 HydrophobicContact CD1-SD 3.91Å; Y294-M298 WeakPolarHBondContact O-CG 3.41Å; Y294-M298 PolarHBondContact O-N 2.98Å; V295-M298 PolarHBondContact O-N 2.87Å; M298-S300 PolarHBondContact O-N 3.17Å; M298-R306 VanDerWaalsContact O-CD 3.23Å; M298-R306 WeakPolarHBondContact O-CD 3.46Å; M298-R306 PolarHBondContact O-NE 3.46Å; M298-P307 HydrophobicContact CE-CG 4.28Å; M298-P307 HydrophobicContact CG-CG 3.83Å; M298-Y312 HydrophobicContact CE-CD1 3.88Å; M298-Y312 HydrophobicContact CE-CD2 4.15Å; M298-Y312 HydrophobicContact CE-CE1 3.28Å; M298-Y312 HydrophobicContact CE-CE2 3.59Å; M298-Y312 HydrophobicContact CE-CG 4.29Å; M298-Y312 WeakPolarHBondContact CE-OH 3.22Å
299L90.7Very high85.8Confident4 Ų443.6 Ų43.62%0.02122%0.224CC..THydrogen-bonded Turntrans-86.214.7-179-61.8-179.4000113.6F243 L247 L276 L280 V295 M297F243-L299 HydrophobicContact CD1-CD2 4.29Å; F243-L299 HydrophobicContact CD2-CD2 4.05Å; F243-L299 HydrophobicContact CE1-CD2 4.29Å; F243-L299 HydrophobicContact CE2-CB 4.38Å; F243-L299 HydrophobicContact CE2-CD2 4.02Å; F243-L299 HydrophobicContact CG-CD2 4.19Å; F243-L299 HydrophobicContact CZ-CD2 4.14Å; F243-L299 WeakPolarHBondContact O-CD2 3.45Å; L247-L299 HydrophobicContact CD2-CD2 3.74Å; L247-L299 HydrophobicContact CG-CD2 3.8Å; L276-L299 HydrophobicContact CD2-CB 3.97Å; L276-L299 HydrophobicContact CD2-CD1 4.38Å; L276-L299 HydrophobicContact CD2-CD2 4.19Å; L276-L299 HydrophobicContact CD2-CG 4.4Å; L280-L299 HydrophobicContact CD1-CB 4.04Å; L280-L299 HydrophobicContact CD1-CD1 3.82Å; L280-L299 HydrophobicContact CD2-CD1 3.85Å; L280-L299 HydrophobicContact CG-CD1 4.35Å; V295-L299 HydrophobicContact CG1-CD1 3.79Å; V295-L299 HydrophobicContact CG1-CG 4.33Å; V295-L299 WeakPolarHBondContact O-CB 3.47Å; V295-L299 WeakPolarHBondContact O-CG 3.23Å; V295-L299 PolarHBondContact O-N 3.08Å; M297-L299 VanDerWaalsContact C-N 3.31Å; M297-L299 PolarHBondContact O-N 2.97Å
300S89.2Confident85.7Confident21 Ų2139.9 Ų39.915%0.14721%0.206CC..  trans-58.9134.3168.3172.60000111.2K296 M297 M298 D302 R306K296-S300 PolarHBondContact O-N 3.14Å; M297-S300 WeakPolarHBondContact O-CB 3.32Å; M297-S300 PolarHBondContact O-N 3.18Å; M298-S300 PolarHBondContact O-N 3.17Å; S300-D302 WeakPolarHBondContact CB-O 3.24Å; S300-D302 PolarHBondContact O-N 2.89Å; S300-D302 PolarHBondContact OG-N 3.19Å; S300-D302 VanDerWaalsContact OG-N 3.08Å; S300-D302 PolarHBondContact OG-O 2.75Å; S300-R306 PolarHBondContact O-NE 3.05Å; S300-R306 PolarHBondContact O-NH2 3.4Å
301S86.4Confident85.3Confident70 Ų7038.6 Ų38.649%0.4920%0.203SC..SBendtrans-64.6-23.7171-50.90000112.9
302D87.5Confident84.7Confident39 Ų3939.1 Ų39.121%0.20921%0.205CC..SBendtrans-91.4118.7173.2175.26.1000110.4S300 Q304 I305 K702S300-D302 WeakPolarHBondContact CB-O 3.24Å; S300-D302 PolarHBondContact O-N 2.89Å; S300-D302 PolarHBondContact OG-N 3.19Å; S300-D302 VanDerWaalsContact OG-N 3.08Å; S300-D302 PolarHBondContact OG-O 2.75Å; D302-Q304 VanDerWaalsContact C-N 3.31Å; D302-Q304 PolarHBondContact O-N 3.37Å; D302-Q304 WeakPolarHBondContact OD1-CB 3.39Å; D302-Q304 PolarHBondContact OD1-N 3.34Å; D302-I305 HydrophobicContact CB-CD1 4.22Å; D302-K702 IonicContact OD2-NZ 2.68Å; D302-K702 PolarHBondContact OD2-NZ 3.45Å
303P88.9Confident84.1Confident38 Ų3835 Ų3525%0.24719%0.186CC..G310 helixtrans-58.7-33.6176.5-24.635.2000114.7E229 A239 I305 R306E229-P303 HydrophobicContact CG-CG 4.03Å; A239-P303 HydrophobicContact CB-CB 3.89Å; A239-P303 WeakPolarHBondContact CB-O 3.46Å; P303-I305 PolarHBondContact O-N 2.84Å; P303-R306 WeakPolarHBondContact O-CB 3.46Å; P303-R306 PolarHBondContact O-N 3.18Å; P303-R306 VanDerWaalsContact O-N 3.13Å
304Q87.2Confident83.6Confident102 Ų10239.7 Ų39.748%0.47721%0.208SC..G310 helixtrans-68.3-21.7-173.1-64-174.7-1000113.4D302D302-Q304 VanDerWaalsContact C-N 3.31Å; D302-Q304 PolarHBondContact O-N 3.37Å; D302-Q304 WeakPolarHBondContact OD1-CB 3.39Å; D302-Q304 PolarHBondContact OD1-N 3.34Å
305I88.9Confident83.2Confident7 Ų740.5 Ų40.54%0.03622%0.215CC..G310 helixtrans-82.7-20178.6-68.8175.5000112D302 P303 A699 K702D302-I305 HydrophobicContact CB-CD1 4.22Å; P303-I305 PolarHBondContact O-N 2.84Å; I305-A699 HydrophobicContact CG2-CB 3.8Å; I305-K702 HydrophobicContact CD1-CD 3.58Å; I305-K702 HydrophobicContact CD1-CG 4.28Å
306R91Very high82.9Confident2 Ų243.5 Ų43.51%0.00824%0.241CC..SBendtrans-67.2137.4-173.4-57.6-177.4-168147.28109.9E229 A239 M242 M298 S300 P303 K695E229-R306 VanDerWaalsContact CD-NH1 3.31Å; E229-R306 IonicContact OE1-CZ 3.13Å; E229-R306 IonicContact OE1-NH1 2.75Å; E229-R306 PolarHBondContact OE1-NH1 3.27Å; E229-R306 IonicContact OE1-NH2 3.81Å; E229-R306 IonicContact OE2-CZ 2.67Å; E229-R306 IonicContact OE2-NH1 2.69Å; E229-R306 PolarHBondContact OE2-NH1 3.36Å; E229-R306 IonicContact OE2-NH2 2.81Å; E229-R306 PolarHBondContact OE2-NH2 3.01Å; A239-R306 HydrophobicContact CB-CB 4.29Å; A239-R306 WeakPolarHBondContact O-CD 3.37Å; A239-R306 PolarHBondContact O-NH1 3.15Å; M242-R306 HydrophobicContact CB-CB 4.43Å; M298-R306 VanDerWaalsContact O-CD 3.23Å; M298-R306 WeakPolarHBondContact O-CD 3.46Å; M298-R306 PolarHBondContact O-NE 3.46Å; S300-R306 PolarHBondContact O-NE 3.05Å; S300-R306 PolarHBondContact O-NH2 3.4Å; P303-R306 WeakPolarHBondContact O-CB 3.46Å; P303-R306 PolarHBondContact O-N 3.18Å; P303-R306 VanDerWaalsContact O-N 3.13Å; R306-K695 PolarHBondContact O-NZ 3.04Å
307P87.3Confident82.7Confident1 Ų138.6 Ų38.61%0.00622%0.221CC..PPolyproline II helixtrans-69.5150.5177.632-34.9000109.4M242 M298 Y312 L692M242-P307 WeakPolarHBondContact CG-O 3.42Å; M298-P307 HydrophobicContact CE-CG 4.28Å; M298-P307 HydrophobicContact CG-CG 3.83Å; P307-Y312 HydrophobicContact CG-CE1 4.44Å; P307-L692 HydrophobicContact CB-CD1 4.12Å
308D86.1Confident82.7Confident71 Ų7138.2 Ų38.238%0.3822%0.219SC..PPolyproline II helixtrans-74169.7171.3-43.3-65.3000109.7T310 K695D308-T310 PolarHBondContact O-N 3.04Å; D308-T310 PolarHBondContact O-OG1 3.07Å; D308-K695 IonicContact OD1-NZ 3.84Å; D308-K695 PolarHBondContact OD1-NZ 2.92Å; D308-K695 IonicContact OD2-NZ 2.87Å; D308-K695 PolarHBondContact OD2-NZ 2.89Å
309A79.5Confident82.5Confident3 Ų341.7 Ų41.73%0.02524%0.243CC..SBendtrans-69.955.7-171.400000114.8L157 N158 M242L157-A309 HydrophobicContact CB-CB 3.83Å; N158-A309 HydrophobicContact CB-CB 3.93Å; N158-A309 WeakPolarHBondContact CB-O 3.49Å; M242-A309 HydrophobicContact CE-CB 3.98Å; M242-A309 HydrophobicContact SD-CB 3.89Å
310T73.5Confident82.3Confident55 Ų5542 Ų4234%0.33725%0.245SC..  trans-91.5154.6-176.851.80000111.8D308 Y312D308-T310 PolarHBondContact O-N 3.04Å; D308-T310 PolarHBondContact O-OG1 3.07Å; T310-Y312 WeakPolarHBondContact O-CD1 3.5Å; T310-Y312 VanDerWaalsContact O-CE1 3.22Å; T310-Y312 WeakPolarHBondContact O-CE1 3.21Å; T310-Y312 VanDerWaalsContact O-CE2 3.24Å; T310-Y312 WeakPolarHBondContact O-CE2 3.46Å; T310-Y312 PolarHBondContact O-N 3.23Å
311P66.8Low82.2Confident56 Ų5641 Ų4136%0.36424%0.238SC..  trans-74.995.5-176.5-17.733.3000113V151 F313 R322V151-P311 HydrophobicContact CG1-CB 4.44Å; P311-F313 PolarHBondContact O-N 3.49Å; P311-R322 VanDerWaalsContact CB-CZ 3.4Å
312Y70.6Confident82.3Confident12 Ų1240.5 Ų40.55%0.04723%0.226CC..  trans-60.3-7.1-171.2-43.2-71.9000117.8A154 M242 L245 Y294 M298 P307 T310A154-Y312 HydrophobicContact CB-CE2 3.86Å; M242-Y312 WeakPolarHBondContact CE-OH 3.45Å; L245-Y312 HydrophobicContact CD2-CE2 3.83Å; Y294-Y312 HydrophobicContact CD1-CD1 4.01Å; Y294-Y312 HydrophobicContact CE1-CD1 4.5Å; Y294-Y312 HydrophobicContact CG-CD1 4.04Å; M298-Y312 HydrophobicContact CE-CD1 3.88Å; M298-Y312 HydrophobicContact CE-CD2 4.15Å; M298-Y312 HydrophobicContact CE-CE1 3.28Å; M298-Y312 HydrophobicContact CE-CE2 3.59Å; M298-Y312 HydrophobicContact CE-CG 4.29Å; M298-Y312 WeakPolarHBondContact CE-OH 3.22Å; P307-Y312 HydrophobicContact CG-CE1 4.44Å; T310-Y312 WeakPolarHBondContact O-CD1 3.5Å; T310-Y312 VanDerWaalsContact O-CE1 3.22Å; T310-Y312 WeakPolarHBondContact O-CE1 3.21Å; T310-Y312 VanDerWaalsContact O-CE2 3.24Å; T310-Y312 WeakPolarHBondContact O-CE2 3.46Å; T310-Y312 PolarHBondContact O-N 3.23Å
313F71.7Confident82.2Confident1 Ų140.4 Ų40.40%0.00423%0.228CC..  trans-118.5123.5-172.4-56.3-87.3000112K147 L150 V151 L291 P311 M318 R322K147-F313 HydrophobicContact CB-CD1 4.27Å; K147-F313 HydrophobicContact CB-CE1 4.09Å; K147-F313 HydrophobicContact CB-CE2 4.4Å; K147-F313 HydrophobicContact CB-CG 4.48Å; K147-F313 HydrophobicContact CB-CZ 4.11Å; K147-F313 HydrophobicContact CD-CD1 4.34Å; K147-F313 HydrophobicContact CD-CE1 4.36Å; K147-F313 HydrophobicContact CG-CD1 3.96Å; K147-F313 HydrophobicContact CG-CE1 3.59Å; K147-F313 HydrophobicContact CG-CZ 3.98Å; K147-F313 WeakPolarHBondContact O-CE2 3.34Å; L150-F313 HydrophobicContact CB-CE2 3.83Å; L150-F313 HydrophobicContact CB-CZ 4.42Å; L150-F313 HydrophobicContact CD1-CE2 4.23Å; L150-F313 HydrophobicContact CD1-CZ 3.99Å; V151-F313 HydrophobicContact CG2-CB 4.3Å; V151-F313 HydrophobicContact CG2-CD2 3.64Å; V151-F313 HydrophobicContact CG2-CE2 4.44Å; V151-F313 HydrophobicContact CG2-CG 4.42Å; L291-F313 HydrophobicContact CD1-CE1 3.69Å; L291-F313 HydrophobicContact CD1-CZ 3.66Å; L291-F313 HydrophobicContact CD2-CD1 4.43Å; L291-F313 HydrophobicContact CD2-CE1 3.59Å; L291-F313 HydrophobicContact CD2-CE2 4.24Å; L291-F313 HydrophobicContact CD2-CZ 3.52Å; L291-F313 HydrophobicContact CG-CE1 3.57Å; L291-F313 HydrophobicContact CG-CZ 3.85Å; P311-F313 PolarHBondContact O-N 3.49Å; F313-M318 HydrophobicContact CB-CB 4.49Å; F313-M318 HydrophobicContact CB-CG 3.83Å; F313-R322 PolarHBondContact O-NH2 3.1Å
314E70.9Confident82.1Confident189 Ų18938.6 Ų38.688%0.88322%0.216SC*.  trans-11860.8174.4-63.9-179.8175.100109.2
315D77.4Confident82Confident52 Ų5234.9 Ų34.928%0.27820%0.2SC..  trans-107.9148.1179.5-166.3-17.5000108.8K147 S317 M318 S319K147-D315 IonicContact NZ-OD2 3.41Å; K147-D315 PolarHBondContact NZ-OD2 3.32Å; D315-S317 PolarHBondContact O-N 2.89Å; D315-M318 HydrophobicContact CB-CB 4.38Å; D315-M318 HydrophobicContact CB-CG 3.96Å; D315-M318 WeakPolarHBondContact O-CA 3.4Å; D315-M318 WeakPolarHBondContact O-CB 3.34Å; D315-M318 PolarHBondContact O-N 3.48Å; D315-S319 PolarHBondContact O-N 3.15Å
316A82Confident81.8Confident66 Ų6638.1 Ų38.155%0.54522%0.217SC..Hα-helixtrans-57.1-41.1-17700000111.5M318 S319 V320A316-M318 VanDerWaalsContact C-N 3.31Å; A316-M318 PolarHBondContact O-N 3.33Å; A316-S319 PolarHBondContact O-N 3.18Å; A316-V320 WeakPolarHBondContact O-CG2 3.32Å; A316-V320 PolarHBondContact O-N 3.06Å
317S84.1Confident81.5Confident13 Ų1338.3 Ų38.39%0.09122%0.218CC..Hα-helixtrans-61.6-35.7174.1-62.40000112.9D315 L321D315-S317 PolarHBondContact O-N 2.89Å; S317-L321 WeakPolarHBondContact O-CB 3.27Å; S317-L321 WeakPolarHBondContact O-CD1 3.42Å; S317-L321 WeakPolarHBondContact O-CG 3.39Å; S317-L321 PolarHBondContact O-N 3.21Å; S317-L321 VanDerWaalsContact O-N 3.09Å
318M86.9Confident81.1Confident1 Ų145.7 Ų45.71%0.00525%0.247CC..Hα-helixtrans-74.5-38.1177-60.8-60.7115.700111.6T144 K147 V151 F313 D315 A316 L321 R322T144-M318 HydrophobicContact CG2-CE 3.69Å; T144-M318 WeakPolarHBondContact O-CE 3.22Å; K147-M318 HydrophobicContact CB-CE 3.7Å; K147-M318 HydrophobicContact CB-SD 3.81Å; K147-M318 HydrophobicContact CD-CE 4.26Å; V151-M318 HydrophobicContact CG2-SD 4.4Å; F313-M318 HydrophobicContact CB-CB 4.49Å; F313-M318 HydrophobicContact CB-CG 3.83Å; D315-M318 HydrophobicContact CB-CB 4.38Å; D315-M318 HydrophobicContact CB-CG 3.96Å; D315-M318 WeakPolarHBondContact O-CA 3.4Å; D315-M318 WeakPolarHBondContact O-CB 3.34Å; D315-M318 PolarHBondContact O-N 3.48Å; A316-M318 VanDerWaalsContact C-N 3.31Å; A316-M318 PolarHBondContact O-N 3.33Å; M318-L321 HydrophobicContact CE-CD1 4.12Å; M318-L321 PolarHBondContact O-N 3.13Å; M318-R322 WeakPolarHBondContact O-CG 3.41Å; M318-R322 PolarHBondContact O-N 3.07Å
319S85Confident81Confident73 Ų7349.8 Ų49.851%0.5126%0.264SS..Hα-helixtrans-59-48.6173.5-178.20000110.7D315 A316 L321 R322 S323D315-S319 PolarHBondContact O-N 3.15Å; A316-S319 PolarHBondContact O-N 3.18Å; S319-L321 PolarHBondContact O-N 3.07Å; S319-R322 PolarHBondContact O-N 2.96Å; S319-S323 WeakPolarHBondContact O-CB 3.41Å; S319-S323 PolarHBondContact O-N 2.96Å; S319-S323 PolarHBondContact O-OG 3.05Å; S319-S323 VanDerWaalsContact O-OG 3.05Å
320V87.5Confident81.2Confident11 Ų1152.3 Ų52.37%0.06728%0.276CS..Hα-helixtrans-59.1-46.8175.4172.10000111.8A316 R322 S323 V324 F338 L342 L349A316-V320 WeakPolarHBondContact O-CG2 3.32Å; A316-V320 PolarHBondContact O-N 3.06Å; V320-R322 PolarHBondContact O-N 2.94Å; V320-S323 PolarHBondContact O-N 2.98Å; V320-V324 WeakPolarHBondContact O-CG2 3.31Å; V320-V324 PolarHBondContact O-N 3.12Å; V320-F338 HydrophobicContact CG1-CE2 4.37Å; V320-F338 HydrophobicContact CG1-CZ 4.19Å; V320-L342 HydrophobicContact CG1-CD1 3.64Å; V320-L349 HydrophobicContact CG1-CD1 4.05Å
321L88Confident81.9Confident0 Ų054 Ų540%028%0.284CS..Hα-helixtrans-67.4-35.3-179.3-68.8165.8000113T144 Y148 S317 M318 S319 V324 D325 L349 L353 R357 V358T144-L321 HydrophobicContact CG2-CD1 4.35Å; Y148-L321 HydrophobicContact CD1-CD1 4Å; Y148-L321 HydrophobicContact CD2-CB 3.78Å; Y148-L321 HydrophobicContact CD2-CD1 4Å; Y148-L321 HydrophobicContact CD2-CG 4.48Å; Y148-L321 HydrophobicContact CE1-CD1 4.49Å; Y148-L321 HydrophobicContact CE1-CD2 4.42Å; Y148-L321 HydrophobicContact CE2-CB 3.62Å; Y148-L321 HydrophobicContact CG-CB 4.33Å; Y148-L321 HydrophobicContact CG-CD1 3.73Å; S317-L321 WeakPolarHBondContact O-CB 3.27Å; S317-L321 WeakPolarHBondContact O-CD1 3.42Å; S317-L321 WeakPolarHBondContact O-CG 3.39Å; S317-L321 PolarHBondContact O-N 3.21Å; S317-L321 VanDerWaalsContact O-N 3.09Å; M318-L321 HydrophobicContact CE-CD1 4.12Å; M318-L321 PolarHBondContact O-N 3.13Å; S319-L321 PolarHBondContact O-N 3.07Å; L321-V324 PolarHBondContact O-N 3.27Å; L321-D325 PolarHBondContact O-N 3.05Å; L321-L349 HydrophobicContact CD1-CD2 4.07Å; L321-L349 HydrophobicContact CD2-CD1 4.47Å; L321-L349 HydrophobicContact CD2-CD2 4.48Å; L321-L349 HydrophobicContact CG-CD2 4.16Å; L321-L353 HydrophobicContact CD1-CD1 3.9Å; L321-L353 HydrophobicContact CD2-CD1 4.4Å; L321-R357 HydrophobicContact CD2-CG 4.43Å; L321-V358 HydrophobicContact CD2-CG2 4.39Å
322R86.6Confident82.8Confident59 Ų5954.1 Ų54.122%0.22328%0.281CS..Hα-helixtrans-68.8-39.5170.9-72.7-169.5-163.7130.224.3112.2P311 F313 M318 S319 V320 V324 D325 N326P311-R322 VanDerWaalsContact CB-CZ 3.4Å; F313-R322 PolarHBondContact O-NH2 3.1Å; M318-R322 WeakPolarHBondContact O-CG 3.41Å; M318-R322 PolarHBondContact O-N 3.07Å; S319-R322 PolarHBondContact O-N 2.96Å; V320-R322 PolarHBondContact O-N 2.94Å; R322-V324 VanDerWaalsContact C-N 3.29Å; R322-V324 PolarHBondContact O-N 2.87Å; R322-D325 PolarHBondContact O-N 3.11Å; R322-D325 VanDerWaalsContact O-N 3.16Å; R322-N326 PolarHBondContact O-N 3.45Å
323S86.2Confident83.6Confident37 Ų3757.5 Ų57.526%0.25930%0.3SS..Hα-helixtrans-61.3-39.4173.7-64.50000111.5S319 V320 N326 M327S319-S323 WeakPolarHBondContact O-CB 3.41Å; S319-S323 PolarHBondContact O-N 2.96Å; S319-S323 PolarHBondContact O-OG 3.05Å; S319-S323 VanDerWaalsContact O-OG 3.05Å; V320-S323 PolarHBondContact O-N 2.98Å; S323-N326 PolarHBondContact O-N 3.45Å; S323-M327 WeakPolarHBondContact O-CG 3.44Å; S323-M327 PolarHBondContact O-N 3.38Å; S323-M327 VanDerWaalsContact O-N 3.1Å
324V87.5Confident84.3Confident0 Ų059 Ų590%031%0.31CS..Hα-helixtrans-62.3-39.4172.3168.30000112.1V320 L321 R322 M327 F338 R357 V358 Q361V320-V324 WeakPolarHBondContact O-CG2 3.31Å; V320-V324 PolarHBondContact O-N 3.12Å; L321-V324 PolarHBondContact O-N 3.27Å; R322-V324 VanDerWaalsContact C-N 3.29Å; R322-V324 PolarHBondContact O-N 2.87Å; V324-M327 WeakPolarHBondContact O-CG 3.41Å; V324-F338 HydrophobicContact CG2-CE1 4.05Å; V324-F338 HydrophobicContact CG2-CZ 3.77Å; V324-R357 HydrophobicContact CG1-CG 4.27Å; V324-V358 HydrophobicContact CG2-CG1 4.4Å; V324-V358 HydrophobicContact CG2-CG2 4.46Å; V324-Q361 HydrophobicContact CG1-CB 3.87Å; V324-Q361 HydrophobicContact CG1-CG 3.66Å
325D84.3Confident85.1Confident24 Ų2451.7 Ų51.713%0.12827%0.274CS..Hα-helixtrans-68-37.6176.6-757.2000112.9K93 Y148 L321 R322 R357K93-D325 IonicContact NZ-OD2 2.74Å; K93-D325 PolarHBondContact NZ-OD2 2.96Å; Y148-D325 PolarHBondContact OH-OD1 3.1Å; Y148-D325 PolarHBondContact OH-OD2 3.39Å; L321-D325 PolarHBondContact O-N 3.05Å; R322-D325 PolarHBondContact O-N 3.11Å; R322-D325 VanDerWaalsContact O-N 3.16Å; D325-R357 IonicContact OD1-CZ 3.35Å; D325-R357 IonicContact OD1-NE 2.71Å; D325-R357 PolarHBondContact OD1-NE 2.94Å; D325-R357 IonicContact OD1-NH2 3.68Å; D325-R357 PolarHBondContact OD1-NH2 3.1Å
326N85.1Confident85.6Confident75 Ų7549.3 Ų49.340%0.40126%0.262SS..THydrogen-bonded Turntrans-97.313.1-175.6-64.1-24.6000113.7R322 S323 Y328 Q329R322-N326 PolarHBondContact O-N 3.45Å; S323-N326 PolarHBondContact O-N 3.45Å; N326-Y328 PolarHBondContact O-N 2.87Å; N326-Y328 VanDerWaalsContact O-N 3.1Å; N326-Q329 WeakPolarHBondContact O-CB 3.44Å; N326-Q329 PolarHBondContact O-N 3.42Å
327M83.8Confident86Confident5 Ų551.9 Ų51.93%0.02526%0.263CS..G310 helixtrans-52.2-36.8-177.3-77.8-17951.800113.8S323 V324 Q329 L330 R335 F338 Y339 Q361 I362S323-M327 WeakPolarHBondContact O-CG 3.44Å; S323-M327 PolarHBondContact O-N 3.38Å; S323-M327 VanDerWaalsContact O-N 3.1Å; V324-M327 WeakPolarHBondContact O-CG 3.41Å; M327-Q329 PolarHBondContact O-N 3.31Å; M327-L330 WeakPolarHBondContact O-CB 3.46Å; M327-L330 PolarHBondContact O-N 3.04Å; M327-L330 VanDerWaalsContact O-N 3.1Å; M327-R335 WeakPolarHBondContact O-CD 3.41Å; M327-F338 HydrophobicContact SD-CE1 4.4Å; M327-Y339 HydrophobicContact CE-CE1 3.61Å; M327-Y339 VanDerWaalsContact CE-OH 3.23Å; M327-Y339 WeakPolarHBondContact CE-OH 3.43Å; M327-Q361 HydrophobicContact SD-CB 3.95Å; M327-I362 HydrophobicContact CE-CG2 4.24Å; M327-I362 HydrophobicContact SD-CG2 4.07Å
328Y80.1Confident86.3Confident156 Ų15652.3 Ų52.361%0.61226%0.263SS*.G310 helixtrans-65.7-15.6179.5-68.5-82.2000114.5N326N326-Y328 PolarHBondContact O-N 2.87Å; N326-Y328 VanDerWaalsContact O-N 3.1Å
329Q83.3Confident86.5Confident157 Ų15752.2 Ų52.273%0.73426%0.263SS*.G310 helixtrans-92-9.7177.1-58.1174.51.500112.3N326 M327N326-Q329 WeakPolarHBondContact O-CB 3.44Å; N326-Q329 PolarHBondContact O-N 3.42Å; M327-Q329 PolarHBondContact O-N 3.31Å
330L84.5Confident86.6Confident56 Ų5651 Ų5129%0.29325%0.248SC..SBendtrans-91.7134.8-176-64.2-178.5000111.1M327 S334 R335M327-L330 WeakPolarHBondContact O-CB 3.46Å; M327-L330 PolarHBondContact O-N 3.04Å; M327-L330 VanDerWaalsContact O-N 3.1Å; L330-S334 WeakPolarHBondContact CB-OG 3.34Å; L330-R335 HydrophobicContact CB-CG 3.43Å; L330-R335 VanDerWaalsContact CB-CG 3.43Å; L330-R335 HydrophobicContact CD1-CG 4.32Å; L330-R335 PolarHBondContact O-NE 3.32Å
331D86.8Confident86.7Confident92 Ų9253 Ų5349%0.49226%0.263SS..  trans-68.4168.2173.787.3-58.1000111.8L333 S334 R335D331-L333 PolarHBondContact O-N 3.46Å; D331-L333 WeakPolarHBondContact OD2-CB 3.33Å; D331-L333 PolarHBondContact OD2-N 3.22Å; D331-S334 PolarHBondContact N-OG 3.11Å; D331-S334 PolarHBondContact O-N 3.22Å; D331-S334 PolarHBondContact O-OG 3.48Å; D331-S334 WeakPolarHBondContact OD1-CB 3.21Å; D331-S334 PolarHBondContact OD1-N 3.14Å; D331-S334 PolarHBondContact OD1-OG 3.23Å; D331-R335 WeakPolarHBondContact O-CB 3.47Å; D331-R335 VanDerWaalsContact O-CG 3.32Å; D331-R335 WeakPolarHBondContact O-CG 3.48Å; D331-R335 PolarHBondContact O-N 3.4Å
332N86Confident86.9Confident57 Ų5753 Ų5331%0.30526%0.263SS..Hα-helixtrans-59.1-32.1-178.3-68.5-15.1000112.9R335 S336N332-R335 PolarHBondContact OD1-NH2 3.27Å; N332-S336 VanDerWaalsContact O-CB 3.31Å; N332-S336 WeakPolarHBondContact O-CB 3.47Å; N332-S336 PolarHBondContact O-N 2.62Å; N332-S336 PolarHBondContact O-OG 2.97Å
333L87.3Confident87Confident84 Ų8451.1 Ų51.144%0.4426%0.258SS..Hα-helixtrans-74.4-48.7-179.6-175.861.6000111.8D331 R335 S336 Q337 V752D331-L333 PolarHBondContact O-N 3.46Å; D331-L333 WeakPolarHBondContact OD2-CB 3.33Å; D331-L333 PolarHBondContact OD2-N 3.22Å; L333-R335 VanDerWaalsContact C-N 3.34Å; L333-R335 PolarHBondContact O-N 3.05Å; L333-S336 VanDerWaalsContact O-CB 3.29Å; L333-S336 WeakPolarHBondContact O-CB 3.3Å; L333-S336 PolarHBondContact O-N 2.75Å; L333-S336 VanDerWaalsContact O-N 3.17Å; L333-Q337 WeakPolarHBondContact O-CG 3.41Å; L333-Q337 PolarHBondContact O-N 3.07Å; L333-V752 HydrophobicContact CD1-CG2 4.34Å
334S87.3Confident87.1Confident32 Ų3255.9 Ų55.922%0.22428%0.281CS..Hα-helixtrans-64.7-37.6176.757.10000112L330 D331 Q337 F338L330-S334 WeakPolarHBondContact CB-OG 3.34Å; D331-S334 PolarHBondContact N-OG 3.11Å; D331-S334 PolarHBondContact O-N 3.22Å; D331-S334 PolarHBondContact O-OG 3.48Å; D331-S334 WeakPolarHBondContact OD1-CB 3.21Å; D331-S334 PolarHBondContact OD1-N 3.14Å; D331-S334 PolarHBondContact OD1-OG 3.23Å; S334-Q337 PolarHBondContact O-N 3.48Å; S334-F338 WeakPolarHBondContact O-CB 3.4Å; S334-F338 PolarHBondContact O-N 3.07Å
335R88.2Confident87.1Confident35 Ų3557.2 Ų57.213%0.13229%0.29CS..Hα-helixtrans-60.3-45.1169.4-68.7-167.3-69.5163.90.3112.2M327 L330 D331 N332 L333 Q337 F338 Y339 D365M327-R335 WeakPolarHBondContact O-CD 3.41Å; L330-R335 HydrophobicContact CB-CG 3.43Å; L330-R335 VanDerWaalsContact CB-CG 3.43Å; L330-R335 HydrophobicContact CD1-CG 4.32Å; L330-R335 PolarHBondContact O-NE 3.32Å; D331-R335 WeakPolarHBondContact O-CB 3.47Å; D331-R335 VanDerWaalsContact O-CG 3.32Å; D331-R335 WeakPolarHBondContact O-CG 3.48Å; D331-R335 PolarHBondContact O-N 3.4Å; N332-R335 PolarHBondContact OD1-NH2 3.27Å; L333-R335 VanDerWaalsContact C-N 3.34Å; L333-R335 PolarHBondContact O-N 3.05Å; R335-Q337 PolarHBondContact O-N 3.28Å; R335-F338 PolarHBondContact O-N 2.74Å; R335-Y339 HydrophobicContact CB-CE2 3.99Å; R335-Y339 WeakPolarHBondContact O-CD2 3.39Å; R335-Y339 VanDerWaalsContact O-CG 3.31Å; R335-Y339 PolarHBondContact O-N 2.93Å; R335-D365 IonicContact CZ-OD1 2.87Å; R335-D365 IonicContact CZ-OD2 3.53Å; R335-D365 IonicContact NH1-OD1 3.08Å; R335-D365 PolarHBondContact NH1-OD1 2.91Å; R335-D365 IonicContact NH1-OD2 3.86Å; R335-D365 PolarHBondContact NH1-OD2 3.14Å; R335-D365 IonicContact NH2-OD1 2.78Å
336S87.3Confident87.3Confident3 Ų356.1 Ų56.12%0.02128%0.284CS..Hα-helixtrans-57.5-34.1174.6-64.10000113.2N332 L333 K340 M371N332-S336 VanDerWaalsContact O-CB 3.31Å; N332-S336 WeakPolarHBondContact O-CB 3.47Å; N332-S336 PolarHBondContact O-N 2.62Å; N332-S336 PolarHBondContact O-OG 2.97Å; L333-S336 VanDerWaalsContact O-CB 3.29Å; L333-S336 WeakPolarHBondContact O-CB 3.3Å; L333-S336 PolarHBondContact O-N 2.75Å; L333-S336 VanDerWaalsContact O-N 3.17Å; S336-K340 WeakPolarHBondContact O-CG 3.35Å; S336-K340 PolarHBondContact O-NZ 3.1Å; S336-M371 WeakPolarHBondContact OG-CE 3.41Å
337Q89.2Confident87.3Confident120 Ų12058.3 Ų58.356%0.56129%0.292SS*.Hα-helixtrans-77.6-44.4177.6-68.8171.80.600110.9L333 S334 R335 Y339 K340 S341L333-Q337 WeakPolarHBondContact O-CG 3.41Å; L333-Q337 PolarHBondContact O-N 3.07Å; S334-Q337 PolarHBondContact O-N 3.48Å; R335-Q337 PolarHBondContact O-N 3.28Å; Q337-Y339 PolarHBondContact O-N 2.85Å; Q337-K340 WeakPolarHBondContact O-CB 3.41Å; Q337-K340 PolarHBondContact O-N 2.7Å; Q337-K340 VanDerWaalsContact O-N 3.14Å; Q337-S341 PolarHBondContact O-N 2.89Å
338F90.9Very high87.4Confident21 Ų2160.9 Ų60.99%0.09231%0.314CS..Hα-helixtrans-55.3-51176175.9-109.6000112V320 V324 M327 S334 R335 K340 S341 L342V320-F338 HydrophobicContact CG1-CE2 4.37Å; V320-F338 HydrophobicContact CG1-CZ 4.19Å; V324-F338 HydrophobicContact CG2-CE1 4.05Å; V324-F338 HydrophobicContact CG2-CZ 3.77Å; M327-F338 HydrophobicContact SD-CE1 4.4Å; S334-F338 WeakPolarHBondContact O-CB 3.4Å; S334-F338 PolarHBondContact O-N 3.07Å; R335-F338 PolarHBondContact O-N 2.74Å; F338-K340 PolarHBondContact O-N 2.86Å; F338-K340 VanDerWaalsContact O-N 3.11Å; F338-S341 PolarHBondContact O-N 3.39Å; F338-S341 PolarHBondContact O-OG 3.14Å; F338-L342 HydrophobicContact CE1-CD2 4.29Å; F338-L342 HydrophobicContact CZ-CD1 4.17Å; F338-L342 PolarHBondContact O-N 3.31Å
339Y91.6Very high87.8Confident0 Ų053.9 Ų53.90%029%0.287CS..Hα-helixtrans-60.1-24.5179.6-59.5-43.2000114.2M327 R335 Q337 P343 I362 D365 M371 F374 I375M327-Y339 HydrophobicContact CE-CE1 3.61Å; M327-Y339 VanDerWaalsContact CE-OH 3.23Å; M327-Y339 WeakPolarHBondContact CE-OH 3.43Å; R335-Y339 HydrophobicContact CB-CE2 3.99Å; R335-Y339 WeakPolarHBondContact O-CD2 3.39Å; R335-Y339 VanDerWaalsContact O-CG 3.31Å; R335-Y339 PolarHBondContact O-N 2.93Å; Q337-Y339 PolarHBondContact O-N 2.85Å; Y339-P343 WeakPolarHBondContact O-CD 3.47Å; Y339-I362 HydrophobicContact CD1-CG2 4.35Å; Y339-I362 HydrophobicContact CE1-CB 4.25Å; Y339-I362 HydrophobicContact CE1-CG2 3.96Å; Y339-D365 PolarHBondContact OH-OD2 3.46Å; Y339-M371 HydrophobicContact CE2-CB 4.47Å; Y339-M371 HydrophobicContact CE2-SD 4.43Å; Y339-F374 HydrophobicContact CD2-CB 4.04Å; Y339-F374 HydrophobicContact CG-CB 4.42Å; Y339-I375 HydrophobicContact CD1-CG1 4.08Å; Y339-I375 HydrophobicContact CD2-CD1 4.44Å; Y339-I375 HydrophobicContact CD2-CG1 3.71Å; Y339-I375 HydrophobicContact CE1-CG1 4.01Å; Y339-I375 HydrophobicContact CE2-CD1 3.92Å; Y339-I375 HydrophobicContact CE2-CG1 3.65Å; Y339-I375 HydrophobicContact CG-CG1 3.94Å
340K87.3Confident88.1Confident47 Ų4747.8 Ų47.820%0.20426%0.261CS..Hα-helixtrans-77.5-33.3175-68.7175.6-178.2910113.1S336 Q337 F338 F374 T744 I748S336-K340 WeakPolarHBondContact O-CG 3.35Å; S336-K340 PolarHBondContact O-NZ 3.1Å; Q337-K340 WeakPolarHBondContact O-CB 3.41Å; Q337-K340 PolarHBondContact O-N 2.7Å; Q337-K340 VanDerWaalsContact O-N 3.14Å; F338-K340 PolarHBondContact O-N 2.86Å; F338-K340 VanDerWaalsContact O-N 3.11Å; K340-F374 HydrophobicContact CG-CD1 4.29Å; K340-F374 VanDerWaalsContact NZ-CD1 3.27Å; K340-T744 HydrophobicContact CB-CG2 4.47Å; K340-T744 HydrophobicContact CD-CG2 3.51Å; K340-T744 HydrophobicContact CG-CG2 3.74Å; K340-I748 HydrophobicContact CD-CD1 4Å; K340-I748 HydrophobicContact CD-CG1 4.15Å
341S89.4Confident88.4Confident53 Ų5348.7 Ų48.737%0.37126%0.262SS..Hα-helixtrans-72.8-33.7174.470.90000111.9Q337 F338 N344Q337-S341 PolarHBondContact O-N 2.89Å; F338-S341 PolarHBondContact O-N 3.39Å; F338-S341 PolarHBondContact O-OG 3.14Å; S341-N344 WeakPolarHBondContact O-CB 3.5Å; S341-N344 PolarHBondContact O-N 3.13Å
342L91.4Very high88.3Confident0 Ų046.9 Ų46.90%025%0.249CC..Hα-helixtrans-55.5-43-172.2-177.163000114.7V320 F338 N344 S345 I346 V358 I362 A378V320-L342 HydrophobicContact CG1-CD1 3.64Å; F338-L342 HydrophobicContact CE1-CD2 4.29Å; F338-L342 HydrophobicContact CZ-CD1 4.17Å; F338-L342 PolarHBondContact O-N 3.31Å; L342-N344 PolarHBondContact O-N 3.19Å; L342-N344 VanDerWaalsContact O-N 3.11Å; L342-S345 PolarHBondContact O-N 3.21Å; L342-I346 HydrophobicContact CD1-CG1 4.19Å; L342-I346 HydrophobicContact CG-CD1 3.99Å; L342-I346 HydrophobicContact CG-CG1 4.17Å; L342-I346 WeakPolarHBondContact O-CG1 3.4Å; L342-I346 PolarHBondContact O-N 2.95Å; L342-V358 HydrophobicContact CD1-CG1 4.18Å; L342-V358 HydrophobicContact CD2-CG1 3.95Å; L342-I362 HydrophobicContact CD2-CD1 4.32Å; L342-I362 HydrophobicContact CD2-CG2 4.02Å; L342-A378 HydrophobicContact CD2-CB 3.82Å; L342-A378 HydrophobicContact CG-CB 4.07Å
343P89.5Confident88.5Confident19 Ų1944.4 Ų44.412%0.12324%0.236CC..Hα-helixtrans-56.6-21.3172.8-29.635.3000116.2Y339 P377 A378 Q381Y339-P343 WeakPolarHBondContact O-CD 3.47Å; P343-P377 HydrophobicContact CG-CB 4.02Å; P343-A378 HydrophobicContact CG-CB 4.24Å; P343-Q381 PolarHBondContact O-NE2 3.02Å; P343-Q381 PolarHBondContact O-OE1 3.3Å
344N88Confident88.7Confident138 Ų13840.5 Ų40.574%0.73822%0.215SC*.Hα-helixtrans-84.6-17.5176-59.5-46.3000112.2S341 L342S341-N344 WeakPolarHBondContact O-CB 3.5Å; S341-N344 PolarHBondContact O-N 3.13Å; L342-N344 PolarHBondContact O-N 3.19Å; L342-N344 VanDerWaalsContact O-N 3.11Å
345S87.4Confident88.8Confident28 Ų2839 Ų3920%0.19621%0.205CC..Hα-helixtrans-108.2-17.9-175.4-55.40000114.2L342 H347 A348L342-S345 PolarHBondContact O-N 3.21Å; S345-H347 VanDerWaalsContact C-N 3.28Å; S345-H347 PolarHBondContact O-N 3.42Å; S345-A348 WeakPolarHBondContact O-CB 3.44Å; S345-A348 PolarHBondContact O-N 3.14Å
346I88Confident88.8Confident0 Ų039.5 Ų39.50%021%0.208CC..G310 helixtrans-55.7-40.3-179.1-82.1163.4000112.7L342 A348 L349 A378 Q381 I382 L385L342-I346 HydrophobicContact CD1-CG1 4.19Å; L342-I346 HydrophobicContact CG-CD1 3.99Å; L342-I346 HydrophobicContact CG-CG1 4.17Å; L342-I346 WeakPolarHBondContact O-CG1 3.4Å; L342-I346 PolarHBondContact O-N 2.95Å; I346-A348 PolarHBondContact O-N 3.28Å; I346-L349 PolarHBondContact O-N 3.03Å; I346-L349 VanDerWaalsContact O-N 3.1Å; I346-A378 HydrophobicContact CD1-CB 3.53Å; I346-A378 WeakPolarHBondContact CD1-O 3.21Å; I346-Q381 HydrophobicContact CD1-CB 4.39Å; I346-Q381 HydrophobicContact CG2-CB 4.04Å; I346-I382 HydrophobicContact CD1-CD1 4.25Å; I346-I382 HydrophobicContact CD1-CG1 4.06Å; I346-I382 HydrophobicContact CG1-CG1 4.44Å; I346-I382 HydrophobicContact CG2-CG1 4.21Å; I346-L385 HydrophobicContact CG2-CD1 4.08Å
347H85.7Confident88.8Confident121 Ų12140.3 Ų40.356%0.5621%0.21SC*.G310 helixtrans-69.2-14.5179.1-62.5-61.9000114.2S345S345-H347 VanDerWaalsContact C-N 3.28Å; S345-H347 PolarHBondContact O-N 3.42Å
348A86.4Confident89Confident60 Ų6034.6 Ų34.650%0.49618%0.184SC..G310 helixtrans-90.3-8.8173.600000113.1S345 I346S345-A348 WeakPolarHBondContact O-CB 3.44Å; S345-A348 PolarHBondContact O-N 3.14Å; I346-A348 PolarHBondContact O-N 3.28Å
349L88.6Confident89.1Confident9 Ų933.7 Ų33.75%0.04718%0.18CC..SBendtrans-98.1138.2179.2-65.9179.1000110.7T144 V320 L321 I346 K351 C354 V358T144-L349 HydrophobicContact CG2-CD2 4.17Å; V320-L349 HydrophobicContact CG1-CD1 4.05Å; L321-L349 HydrophobicContact CD1-CD2 4.07Å; L321-L349 HydrophobicContact CD2-CD1 4.47Å; L321-L349 HydrophobicContact CD2-CD2 4.48Å; L321-L349 HydrophobicContact CG-CD2 4.16Å; I346-L349 PolarHBondContact O-N 3.03Å; I346-L349 VanDerWaalsContact O-N 3.1Å; L349-K351 PolarHBondContact O-N 2.9Å; L349-C354 VanDerWaalsContact CB-SG 3.55Å; L349-V358 HydrophobicContact CD1-CG2 3.97Å
350P89.2Confident88.9Confident28 Ų2834.6 Ų34.618%0.18219%0.186CC..  trans-53.5135.7170.3-24.331.2000111.5S142 T144 E145 R352 L353 C354S142-P350 WeakPolarHBondContact OG-CG 3.35Å; T144-P350 HydrophobicContact CG2-CG 4.3Å; E145-P350 HydrophobicContact CG-CG 4.37Å; P350-R352 PolarHBondContact O-N 2.98Å; P350-L353 HydrophobicContact CG-CD1 4.34Å; P350-L353 PolarHBondContact O-N 2.99Å; P350-C354 PolarHBondContact O-N 2.89Å; P350-C354 VanDerWaalsContact O-N 3.07Å
351K90.1Very high89Confident75 Ų7533.9 Ų33.933%0.32618%0.183SC..Hα-helixtrans-40.9-42.1174.8173.3-175.1172.41710112.9L349 C354 L355 L385 E390L349-K351 PolarHBondContact O-N 2.9Å; K351-C354 WeakPolarHBondContact O-CB 3.41Å; K351-C354 PolarHBondContact O-N 3.45Å; K351-L355 WeakPolarHBondContact O-CB 3.47Å; K351-L355 PolarHBondContact O-N 3.39Å; K351-L385 VanDerWaalsContact CD-O 3.23Å; K351-L385 WeakPolarHBondContact CD-O 3.22Å; K351-L385 WeakPolarHBondContact CE-O 3.34Å; K351-L385 HydrophobicContact CG-CB 4.38Å; K351-L385 PolarHBondContact NZ-O 2.92Å; K351-E390 WeakPolarHBondContact CE-OE1 3.33Å; K351-E390 WeakPolarHBondContact CE-OE2 3.36Å; K351-E390 IonicContact NZ-OE1 2.7Å; K351-E390 PolarHBondContact NZ-OE1 2.94Å; K351-E390 IonicContact NZ-OE2 2.87Å; K351-E390 PolarHBondContact NZ-OE2 3.02Å
352R86.5Confident89.1Confident55 Ų5531.4 Ų31.421%0.20817%0.165CC..Hα-helixtrans-65.7-42.6-178.6-168.3168.561.3124-24113S140 E145 P350 L355 F356S140-R352 PolarHBondContact O-NH2 2.9Å; E145-R352 IonicContact OE1-CZ 2.59Å; E145-R352 IonicContact OE1-NE 3.46Å; E145-R352 PolarHBondContact OE1-NE 3.2Å; E145-R352 IonicContact OE1-NH2 2.74Å; E145-R352 PolarHBondContact OE1-NH2 3.25Å; E145-R352 VanDerWaalsContact OE1-NH2 3.08Å; E145-R352 IonicContact OE2-CZ 3.77Å; E145-R352 IonicContact OE2-NE 3.76Å; E145-R352 IonicContact OE2-NH2 3.15Å; E145-R352 PolarHBondContact OE2-NH2 3.24Å; P350-R352 PolarHBondContact O-N 2.98Å; R352-L355 PolarHBondContact O-N 3.35Å; R352-F356 HydrophobicContact CG-CD2 3.65Å; R352-F356 HydrophobicContact CG-CE2 3.99Å; R352-F356 WeakPolarHBondContact O-CB 3.43Å; R352-F356 VanDerWaalsContact O-CD2 3.29Å; R352-F356 WeakPolarHBondContact O-CD2 3.38Å; R352-F356 PolarHBondContact O-N 3.09Å
353L88.7Confident89.1Confident5 Ų531.8 Ų31.83%0.02617%0.168CC..Hα-helixtrans-68.3-38.3173.1-70.6-178.9000111.5T144 E145 Y148 L321 P350 R357 V358T144-L353 HydrophobicContact CG2-CD1 4.08Å; E145-L353 HydrophobicContact CG-CD1 3.65Å; E145-L353 HydrophobicContact CG-CD2 4.07Å; E145-L353 HydrophobicContact CG-CG 3.69Å; Y148-L353 HydrophobicContact CD1-CD2 4.28Å; L321-L353 HydrophobicContact CD1-CD1 3.9Å; L321-L353 HydrophobicContact CD2-CD1 4.4Å; P350-L353 HydrophobicContact CG-CD1 4.34Å; P350-L353 PolarHBondContact O-N 2.99Å; L353-R357 HydrophobicContact CD2-CB 4.48Å; L353-R357 WeakPolarHBondContact O-CA 3.47Å; L353-R357 WeakPolarHBondContact O-CB 3.31Å; L353-R357 PolarHBondContact O-N 3.5Å; L353-V358 PolarHBondContact O-N 3.34Å
354C92.1Very high89.1Confident1 Ų134.3 Ų34.31%0.00718%0.178CC..Iπ-helixtrans-58.1-49.3173.2-72.60000112.2L349 P350 K351 F359 I382L349-C354 VanDerWaalsContact CB-SG 3.55Å; P350-C354 PolarHBondContact O-N 2.89Å; P350-C354 VanDerWaalsContact O-N 3.07Å; K351-C354 WeakPolarHBondContact O-CB 3.41Å; K351-C354 PolarHBondContact O-N 3.45Å; C354-F359 WeakPolarHBondContact O-CB 3.49Å; C354-F359 PolarHBondContact O-N 2.9Å; C354-I382 HydrophobicContact CB-CD1 4.35Å; C354-I382 HydrophobicContact CB-CG1 4.07Å; C354-I382 HydrophobicContact CB-CG2 4.24Å
355L90.3Very high89.2Confident2 Ų228.8 Ų28.81%0.0115%0.149CC..Iπ-helixtrans-72.6-40.6-177-178.356.3000113.8K351 R352 P360 V386 E390 Y394 M395K351-L355 WeakPolarHBondContact O-CB 3.47Å; K351-L355 PolarHBondContact O-N 3.39Å; R352-L355 PolarHBondContact O-N 3.35Å; L355-P360 VanDerWaalsContact O-CD 3.3Å; L355-P360 WeakPolarHBondContact O-CD 3.35Å; L355-V386 HydrophobicContact CB-CG1 4.49Å; L355-V386 HydrophobicContact CD1-CG1 4.06Å; L355-V386 HydrophobicContact CD2-CG1 4.04Å; L355-V386 HydrophobicContact CG-CG1 4.43Å; L355-E390 HydrophobicContact CD2-CB 4.14Å; L355-E390 HydrophobicContact CD2-CG 4.25Å; L355-Y394 HydrophobicContact CD1-CD2 4.48Å; L355-Y394 HydrophobicContact CD2-CD2 4Å; L355-Y394 HydrophobicContact CG-CD2 4.46Å; L355-M395 HydrophobicContact CD1-CG 3.91Å; L355-M395 HydrophobicContact CD1-SD 4.08Å
356F87.8Confident89.3Confident45 Ų4528.2 Ų28.220%0.19714%0.143CC..Iπ-helixtrans-105.9-16.5-170.3-61.3-62.3000115.3F181 R352 Y394F181-F356 WeakPolarHBondContact CD1-O 3.22Å; R352-F356 HydrophobicContact CG-CD2 3.65Å; R352-F356 HydrophobicContact CG-CE2 3.99Å; R352-F356 WeakPolarHBondContact O-CB 3.43Å; R352-F356 VanDerWaalsContact O-CD2 3.29Å; R352-F356 WeakPolarHBondContact O-CD2 3.38Å; R352-F356 PolarHBondContact O-N 3.09Å; F356-Y394 HydrophobicContact CE1-CD1 4.01Å; F356-Y394 HydrophobicContact CE1-CD2 4.01Å; F356-Y394 AromaticContact CE1-CE1 3.81Å; F356-Y394 HydrophobicContact CE1-CE1 3.81Å; F356-Y394 AromaticContact CE1-CE2 3.8Å; F356-Y394 HydrophobicContact CE1-CE2 3.8Å; F356-Y394 HydrophobicContact CE1-CG 4.11Å; F356-Y394 AromaticContact CE1-CZ 3.7Å; F356-Y394 HydrophobicContact CZ-CD2 4.32Å; F356-Y394 AromaticContact CZ-CE2 3.88Å; F356-Y394 HydrophobicContact CZ-CE2 3.88Å
357R87.6Confident89.3Confident20 Ų2033 Ų338%0.07518%0.176CC..Iπ-helixtrans-112.2-54.5174.9-171.973.1-155.51136.5112.4Y148 L321 V324 D325 L353 Q361Y148-R357 HydrophobicContact CE1-CG 4.42Å; Y148-R357 PolarHBondContact OH-NE 3.32Å; L321-R357 HydrophobicContact CD2-CG 4.43Å; V324-R357 HydrophobicContact CG1-CG 4.27Å; D325-R357 IonicContact OD1-CZ 3.35Å; D325-R357 IonicContact OD1-NE 2.71Å; D325-R357 PolarHBondContact OD1-NE 2.94Å; D325-R357 IonicContact OD1-NH2 3.68Å; D325-R357 PolarHBondContact OD1-NH2 3.1Å; L353-R357 HydrophobicContact CD2-CB 4.48Å; L353-R357 WeakPolarHBondContact O-CA 3.47Å; L353-R357 WeakPolarHBondContact O-CB 3.31Å; L353-R357 PolarHBondContact O-N 3.5Å; R357-Q361 WeakPolarHBondContact O-CG 3.42Å
358V91.8Very high89.5Confident0 Ų029.2 Ų29.20%016%0.16CC..Iπ-helixtrans-70.8-57.7-173.8-175.80000111.1L321 V324 L342 L349 L353 Q361 I362 I382L321-V358 HydrophobicContact CD2-CG2 4.39Å; V324-V358 HydrophobicContact CG2-CG1 4.4Å; V324-V358 HydrophobicContact CG2-CG2 4.46Å; L342-V358 HydrophobicContact CD1-CG1 4.18Å; L342-V358 HydrophobicContact CD2-CG1 3.95Å; L349-V358 HydrophobicContact CD1-CG2 3.97Å; L353-V358 PolarHBondContact O-N 3.34Å; V358-Q361 PolarHBondContact O-N 3.1Å; V358-Q361 VanDerWaalsContact O-N 3.14Å; V358-I362 HydrophobicContact CG1-CD1 4.34Å; V358-I362 HydrophobicContact CG1-CG2 4.34Å; V358-I362 PolarHBondContact O-N 2.78Å; V358-I362 VanDerWaalsContact O-N 3.11Å; V358-I382 HydrophobicContact CB-CD1 4.39Å; V358-I382 HydrophobicContact CG1-CD1 4.16Å
359F92.9Very high89.6Confident2 Ų228.6 Ų28.61%0.00915%0.151CC..Hα-helixtrans-55.7-45.7-177.5174-96.5000113.4C354 Q361 I362 S363 F366 V379 I382 Y394 M395 R398C354-F359 WeakPolarHBondContact O-CB 3.49Å; C354-F359 PolarHBondContact O-N 2.9Å; F359-Q361 VanDerWaalsContact C-N 3.27Å; F359-Q361 PolarHBondContact O-N 3.06Å; F359-I362 PolarHBondContact O-N 3.16Å; F359-S363 WeakPolarHBondContact O-CB 3.4Å; F359-S363 PolarHBondContact O-N 2.78Å; F359-S363 VanDerWaalsContact O-N 3.07Å; F359-S363 PolarHBondContact O-OG 3.26Å; F359-F366 HydrophobicContact CE2-CE2 4.49Å; F359-F366 HydrophobicContact CE2-CZ 4.43Å; F359-V379 HydrophobicContact CD2-CG1 4.05Å; F359-V379 HydrophobicContact CD2-CG2 4.11Å; F359-V379 HydrophobicContact CE2-CG1 3.71Å; F359-V379 HydrophobicContact CE2-CG2 4.19Å; F359-I382 HydrophobicContact CB-CD1 4.14Å; F359-I382 HydrophobicContact CB-CG2 4.44Å; F359-Y394 WeakPolarHBondContact CE1-O 2.88Å; F359-M395 HydrophobicContact CD1-CG 3.92Å; F359-M395 HydrophobicContact CD2-CE 3.79Å; F359-M395 HydrophobicContact CD2-CG 4.32Å; F359-M395 HydrophobicContact CE1-CB 4.05Å; F359-M395 HydrophobicContact CE1-CG 3.75Å; F359-M395 HydrophobicContact CE2-CB 4.35Å; F359-M395 HydrophobicContact CE2-CE 3.85Å; F359-M395 HydrophobicContact CE2-CG 4.15Å; F359-M395 HydrophobicContact CG-CE 4.38Å; F359-M395 HydrophobicContact CG-CG 4.21Å; F359-M395 HydrophobicContact CZ-CB 3.85Å; F359-M395 HydrophobicContact CZ-CE 4.48Å; F359-M395 HydrophobicContact CZ-CG 3.87Å; F359-R398 HydrophobicContact CE1-CB 4.42Å; F359-R398 HydrophobicContact CZ-CB 4.05Å
360P89.3Confident89.6Confident19 Ų1931.3 Ų31.312%0.12316%0.163CC..Hα-helixtrans-68.5-18.7-179.6-24.638.3000114.8L355 R398L355-P360 VanDerWaalsContact O-CD 3.3Å; L355-P360 WeakPolarHBondContact O-CD 3.35Å; P360-R398 PolarHBondContact O-NH1 3.08Å
361Q88.7Confident89.6Confident32 Ų3230 Ų3015%0.1516%0.155CC..Hα-helixtrans-85.8-48.7173.2-63-65.5-100.300111.4V324 M327 R357 V358 F359 S363 E364V324-Q361 HydrophobicContact CG1-CB 3.87Å; V324-Q361 HydrophobicContact CG1-CG 3.66Å; M327-Q361 HydrophobicContact SD-CB 3.95Å; R357-Q361 WeakPolarHBondContact O-CG 3.42Å; V358-Q361 PolarHBondContact O-N 3.1Å; V358-Q361 VanDerWaalsContact O-N 3.14Å; F359-Q361 VanDerWaalsContact C-N 3.27Å; F359-Q361 PolarHBondContact O-N 3.06Å; Q361-S363 PolarHBondContact O-N 2.69Å; Q361-E364 PolarHBondContact O-N 2.67Å
362I91.5Very high89.7Confident0 Ų026.4 Ų26.40%014%0.139CC..Hα-helixtrans-66.9-22.6-178.270.9-178000113.1M327 Y339 L342 V358 F359 I375 A378 V379 I382M327-I362 HydrophobicContact CE-CG2 4.24Å; M327-I362 HydrophobicContact SD-CG2 4.07Å; Y339-I362 HydrophobicContact CD1-CG2 4.35Å; Y339-I362 HydrophobicContact CE1-CB 4.25Å; Y339-I362 HydrophobicContact CE1-CG2 3.96Å; L342-I362 HydrophobicContact CD2-CD1 4.32Å; L342-I362 HydrophobicContact CD2-CG2 4.02Å; V358-I362 HydrophobicContact CG1-CD1 4.34Å; V358-I362 HydrophobicContact CG1-CG2 4.34Å; V358-I362 PolarHBondContact O-N 2.78Å; V358-I362 VanDerWaalsContact O-N 3.11Å; F359-I362 PolarHBondContact O-N 3.16Å; I362-I375 HydrophobicContact CB-CG2 3.96Å; I362-I375 HydrophobicContact CD1-CG2 4.07Å; I362-I375 HydrophobicContact CG1-CG2 3.93Å; I362-A378 HydrophobicContact CD1-CB 4.2Å; I362-V379 HydrophobicContact CD1-CG2 3.69Å; I362-V379 HydrophobicContact CG1-CG2 4.2Å; I362-I382 HydrophobicContact CD1-CD1 4.36Å
363S91.8Very high90Very high8 Ų823.8 Ų23.86%0.05613%0.129CC..THydrogen-bonded Turntrans-82.8-9.7177.952.20000115F359 Q361 D365 F366 R398F359-S363 WeakPolarHBondContact O-CB 3.4Å; F359-S363 PolarHBondContact O-N 2.78Å; F359-S363 VanDerWaalsContact O-N 3.07Å; F359-S363 PolarHBondContact O-OG 3.26Å; Q361-S363 PolarHBondContact O-N 2.69Å; S363-D365 VanDerWaalsContact C-N 3.25Å; S363-F366 WeakPolarHBondContact O-CB 3.23Å; S363-F366 VanDerWaalsContact O-CD2 3.32Å; S363-F366 WeakPolarHBondContact O-CD2 3.36Å; S363-F366 WeakPolarHBondContact O-CG 3.12Å; S363-F366 PolarHBondContact O-N 3.21Å; S363-R398 VanDerWaalsContact OG-CD 3.27Å; S363-R398 WeakPolarHBondContact OG-CD 3.21Å; S363-R398 PolarHBondContact OG-NH1 2.7Å
364E88.4Confident90.1Very high73 Ų7323.8 Ų23.834%0.34113%0.129SC..G310 helixtrans-67.5-32.6169.1-57-61.3151.300110.6Q361 F366 S367 R398Q361-E364 PolarHBondContact O-N 2.67Å; E364-F366 PolarHBondContact O-N 3.49Å; E364-S367 PolarHBondContact O-N 3.48Å; E364-S367 PolarHBondContact O-OG 3.26Å; E364-R398 IonicContact OE1-CZ 2.65Å; E364-R398 IonicContact OE1-NH1 2.94Å; E364-R398 PolarHBondContact OE1-NH1 2.92Å; E364-R398 IonicContact OE1-NH2 3.79Å; E364-R398 PolarHBondContact OE1-NH2 2.75Å
365D89.6Confident90.2Very high21 Ų2123.7 Ų23.711%0.11213%0.129CC..G310 helixtrans-78.53.6177.4-76.7-53.9000114.4R335 Y339 S363 S367 N368 I375R335-D365 IonicContact CZ-OD1 2.87Å; R335-D365 IonicContact CZ-OD2 3.53Å; R335-D365 IonicContact NH1-OD1 3.08Å; R335-D365 PolarHBondContact NH1-OD1 2.91Å; R335-D365 IonicContact NH1-OD2 3.86Å; R335-D365 PolarHBondContact NH1-OD2 3.14Å; R335-D365 IonicContact NH2-OD1 2.78Å; Y339-D365 PolarHBondContact OH-OD2 3.46Å; S363-D365 VanDerWaalsContact C-N 3.25Å; D365-S367 PolarHBondContact O-N 3.05Å; D365-N368 PolarHBondContact O-N 2.96Å; D365-N368 VanDerWaalsContact O-N 3.08Å; D365-I375 HydrophobicContact CB-CD1 3.68Å
366F90.9Very high90.3Very high17 Ų1723.6 Ų23.68%0.07513%0.128CC..G310 helixtrans-62-18.2162.5-67.3-20.9000112.9F359 S363 E364 N368 V372 I375 V379 R398 L399 V402F359-F366 HydrophobicContact CE2-CE2 4.49Å; F359-F366 HydrophobicContact CE2-CZ 4.43Å; S363-F366 WeakPolarHBondContact O-CB 3.23Å; S363-F366 VanDerWaalsContact O-CD2 3.32Å; S363-F366 WeakPolarHBondContact O-CD2 3.36Å; S363-F366 WeakPolarHBondContact O-CG 3.12Å; S363-F366 PolarHBondContact O-N 3.21Å; E364-F366 PolarHBondContact O-N 3.49Å; F366-N368 PolarHBondContact O-N 3.42Å; F366-V372 HydrophobicContact CD1-CG2 4.33Å; F366-I375 HydrophobicContact CD1-CG2 4.28Å; F366-I375 HydrophobicContact CE1-CB 4.41Å; F366-I375 HydrophobicContact CE1-CG2 3.63Å; F366-V379 HydrophobicContact CE1-CG2 4.27Å; F366-V379 HydrophobicContact CZ-CG2 3.98Å; F366-R398 HydrophobicContact CD2-CB 4.41Å; F366-R398 VanDerWaalsContact CD2-O 3.22Å; F366-R398 WeakPolarHBondContact CD2-O 3.22Å; F366-R398 HydrophobicContact CE2-CB 4.22Å; F366-R398 WeakPolarHBondContact CE2-O 3.49Å; F366-L399 HydrophobicContact CE2-CD2 4.24Å; F366-L399 HydrophobicContact CE2-CG 4.43Å; F366-L399 HydrophobicContact CZ-CD2 4.02Å; F366-V402 HydrophobicContact CB-CG2 3.74Å; F366-V402 HydrophobicContact CD1-CG2 3.79Å; F366-V402 HydrophobicContact CD2-CG2 3.57Å; F366-V402 HydrophobicContact CE1-CG2 4.19Å; F366-V402 HydrophobicContact CE2-CG2 4Å; F366-V402 HydrophobicContact CG-CG2 3.44Å; F366-V402 VanDerWaalsContact CG-CG2 3.44Å; F366-V402 HydrophobicContact CZ-CG2 4.28Å
367S88.2Confident90.5Very high100 Ų10023.7 Ų23.770%0.69913%0.133SC*.G310 helixtrans-63.5-20.3170.255.80000113.9E364 D365E364-S367 PolarHBondContact O-N 3.48Å; E364-S367 PolarHBondContact O-OG 3.26Å; D365-S367 PolarHBondContact O-N 3.05Å
368N88.9Confident90.8Very high41 Ų4122.8 Ų22.822%0.21913%0.13CC..SBendtrans-108.4103.6176.9-177-15.8000110.9D365 F366 H370 M371 V372D365-N368 PolarHBondContact O-N 2.96Å; D365-N368 VanDerWaalsContact O-N 3.08Å; F366-N368 PolarHBondContact O-N 3.42Å; N368-H370 PolarHBondContact O-N 3.19Å; N368-H370 VanDerWaalsContact O-N 3.09Å; N368-H370 PolarHBondContact OD1-N 2.88Å; N368-H370 VanDerWaalsContact OD1-N 3.16Å; N368-M371 HydrophobicContact CB-CB 4.29Å; N368-M371 HydrophobicContact CB-CG 4.07Å; N368-M371 PolarHBondContact O-N 3.35Å; N368-V372 PolarHBondContact O-N 3.37Å
369P88.8Confident90.9Very high48 Ų4822.8 Ų22.831%0.31213%0.13SC..THydrogen-bonded Turntrans-54.5-34.3-176.4-22.529.8000114M371 V372 P373 M405 P408P369-M371 VanDerWaalsContact C-N 3.32Å; P369-M371 PolarHBondContact O-N 3.39Å; P369-V372 PolarHBondContact O-N 3.35Å; P369-P373 WeakPolarHBondContact O-CD 3.43Å; P369-M405 HydrophobicContact CB-CE 3.82Å; P369-M405 HydrophobicContact CG-CE 3.68Å; P369-P408 WeakPolarHBondContact O-CD 3.31Å; P369-P408 WeakPolarHBondContact O-CG 3.38Å
370H88.5Confident91Very high65 Ų6523 Ų2330%0.30113%0.131SC..THydrogen-bonded Turntrans-72.8-21.6-179.3-65.9-75.2000113.6N368 N751N368-H370 PolarHBondContact O-N 3.19Å; N368-H370 VanDerWaalsContact O-N 3.09Å; N368-H370 PolarHBondContact OD1-N 2.88Å; N368-H370 VanDerWaalsContact OD1-N 3.16Å; H370-N751 PolarHBondContact ND1-OD1 3.07Å; H370-N751 VanDerWaalsContact O-CG 3.32Å; H370-N751 PolarHBondContact O-ND2 3.5Å
371M89.7Confident91.1Very high0 Ų024.3 Ų24.30%014%0.135CC..THydrogen-bonded Turntrans-83.9-29.5175.8-66-63.699.900112.3S336 Y339 N368 P369 P373 F374 I375 I755S336-M371 WeakPolarHBondContact OG-CE 3.41Å; Y339-M371 HydrophobicContact CE2-CB 4.47Å; Y339-M371 HydrophobicContact CE2-SD 4.43Å; N368-M371 HydrophobicContact CB-CB 4.29Å; N368-M371 HydrophobicContact CB-CG 4.07Å; N368-M371 PolarHBondContact O-N 3.35Å; P369-M371 VanDerWaalsContact C-N 3.32Å; P369-M371 PolarHBondContact O-N 3.39Å; M371-P373 VanDerWaalsContact C-CD 3.5Å; M371-F374 HydrophobicContact CE-CD2 4.37Å; M371-F374 HydrophobicContact CE-CE2 4.28Å; M371-F374 PolarHBondContact O-N 2.97Å; M371-I375 HydrophobicContact CB-CD1 3.89Å; M371-I375 PolarHBondContact O-N 3.37Å; M371-I755 HydrophobicContact CE-CD1 3.71Å
372V92.6Very high91.3Very high0 Ų022.8 Ų22.80%013%0.128CC..Hα-helixtrans-48.6-46-175.7175.40000113.9F366 N368 P369 F374 I375 L376 V402 M405 I411F366-V372 HydrophobicContact CD1-CG2 4.33Å; N368-V372 PolarHBondContact O-N 3.37Å; P369-V372 PolarHBondContact O-N 3.35Å; V372-F374 PolarHBondContact O-N 2.93Å; V372-I375 PolarHBondContact O-N 3.42Å; V372-L376 HydrophobicContact CG1-CD1 3.69Å; V372-L376 HydrophobicContact CG1-CD2 4.47Å; V372-L376 HydrophobicContact CG1-CG 3.78Å; V372-L376 WeakPolarHBondContact O-CG 3.38Å; V372-L376 PolarHBondContact O-N 2.93Å; V372-V402 HydrophobicContact CG1-CG1 3.47Å; V372-V402 VanDerWaalsContact CG1-CG1 3.47Å; V372-M405 HydrophobicContact CG2-SD 4.08Å; V372-I411 HydrophobicContact CB-CD1 3.96Å; V372-I411 HydrophobicContact CB-CG1 4.26Å; V372-I411 HydrophobicContact CG1-CD1 3.68Å; V372-I411 HydrophobicContact CG1-CG1 3.75Å
373P91.6Very high91.4Very high0 Ų022.8 Ų22.80%013%0.129CC..Hα-helixtrans-63.3-22.5-179.6-23.934.8000115P369 M371 P377 P408 Q410 I411 I414 L747P369-P373 WeakPolarHBondContact O-CD 3.43Å; M371-P373 VanDerWaalsContact C-CD 3.5Å; P373-P377 VanDerWaalsContact O-CD 3.29Å; P373-P377 WeakPolarHBondContact O-CD 3.45Å; P373-P408 HydrophobicContact CG-CB 4.23Å; P373-P408 HydrophobicContact CG-CG 4.19Å; P373-Q410 HydrophobicContact CB-CB 4.42Å; P373-I411 HydrophobicContact CG-CG1 4.11Å; P373-I414 HydrophobicContact CB-CD1 3.92Å; P373-I414 VanDerWaalsContact O-CD1 3.28Å; P373-I414 WeakPolarHBondContact O-CD1 3.29Å; P373-L747 HydrophobicContact CB-CD1 4.11Å; P373-L747 HydrophobicContact CB-CD2 3.42Å; P373-L747 VanDerWaalsContact CB-CD2 3.42Å; P373-L747 HydrophobicContact CB-CG 4.4Å; P373-L747 HydrophobicContact CG-CD2 4.14Å
374F91.2Very high91.3Very high5 Ų524.9 Ų24.92%0.02214%0.139CC..Hα-helixtrans-83.4-28.6173.7-55.6-56.4000112Y339 K340 M371 V372 L747 I748 N751Y339-F374 HydrophobicContact CD2-CB 4.04Å; Y339-F374 HydrophobicContact CG-CB 4.42Å; K340-F374 HydrophobicContact CG-CD1 4.29Å; K340-F374 VanDerWaalsContact NZ-CD1 3.27Å; M371-F374 HydrophobicContact CE-CD2 4.37Å; M371-F374 HydrophobicContact CE-CE2 4.28Å; M371-F374 PolarHBondContact O-N 2.97Å; V372-F374 PolarHBondContact O-N 2.93Å; F374-L747 HydrophobicContact CD1-CB 4.41Å; F374-L747 HydrophobicContact CE1-CB 3.67Å; F374-L747 HydrophobicContact CZ-CB 4.34Å; F374-L747 WeakPolarHBondContact CZ-O 3Å; F374-I748 HydrophobicContact CE1-CG1 4.42Å; F374-N751 HydrophobicContact CE2-CB 3.8Å; F374-N751 WeakPolarHBondContact CE2-ND2 3.36Å; F374-N751 HydrophobicContact CZ-CB 3.83Å; F374-N751 WeakPolarHBondContact CZ-ND2 3.31Å
375I93.2Very high91.4Very high0 Ų024.2 Ų24.20%014%0.137CC..Hα-helixtrans-81.2-38.6-178.3-61.3161.2000111.3Y339 I362 D365 F366 M371 V372 A378 V379Y339-I375 HydrophobicContact CD1-CG1 4.08Å; Y339-I375 HydrophobicContact CD2-CD1 4.44Å; Y339-I375 HydrophobicContact CD2-CG1 3.71Å; Y339-I375 HydrophobicContact CE1-CG1 4.01Å; Y339-I375 HydrophobicContact CE2-CD1 3.92Å; Y339-I375 HydrophobicContact CE2-CG1 3.65Å; Y339-I375 HydrophobicContact CG-CG1 3.94Å; I362-I375 HydrophobicContact CB-CG2 3.96Å; I362-I375 HydrophobicContact CD1-CG2 4.07Å; I362-I375 HydrophobicContact CG1-CG2 3.93Å; D365-I375 HydrophobicContact CB-CD1 3.68Å; F366-I375 HydrophobicContact CD1-CG2 4.28Å; F366-I375 HydrophobicContact CE1-CB 4.41Å; F366-I375 HydrophobicContact CE1-CG2 3.63Å; M371-I375 HydrophobicContact CB-CD1 3.89Å; M371-I375 PolarHBondContact O-N 3.37Å; V372-I375 PolarHBondContact O-N 3.42Å; I375-A378 WeakPolarHBondContact O-CB 3.05Å; I375-A378 PolarHBondContact O-N 3.44Å; I375-A378 VanDerWaalsContact O-N 3.14Å; I375-V379 HydrophobicContact CG2-CG2 3.73Å; I375-V379 WeakPolarHBondContact O-CG2 3.38Å; I375-V379 PolarHBondContact O-N 2.98Å; I375-V379 VanDerWaalsContact O-N 3.07Å
376L93.2Very high91.4Very high0 Ų023.4 Ų23.40%013%0.133CC..Hα-helixtrans-55.8-41.7-174.9-78.4174.4000115.4V372 A378 V379 L380 L399 V402 I411 I414 F415V372-L376 HydrophobicContact CG1-CD1 3.69Å; V372-L376 HydrophobicContact CG1-CD2 4.47Å; V372-L376 HydrophobicContact CG1-CG 3.78Å; V372-L376 WeakPolarHBondContact O-CG 3.38Å; V372-L376 PolarHBondContact O-N 2.93Å; L376-A378 VanDerWaalsContact C-N 3.29Å; L376-A378 PolarHBondContact O-N 3.16Å; L376-V379 PolarHBondContact O-N 3.37Å; L376-V379 VanDerWaalsContact O-N 3.17Å; L376-L380 WeakPolarHBondContact O-CB 3.38Å; L376-L380 VanDerWaalsContact O-CG 3.31Å; L376-L380 WeakPolarHBondContact O-CG 3.03Å; L376-L380 PolarHBondContact O-N 3.07Å; L376-L399 HydrophobicContact CD2-CD2 4.31Å; L376-V402 HydrophobicContact CD1-CG1 4.42Å; L376-V402 HydrophobicContact CD2-CG1 4.08Å; L376-I411 HydrophobicContact CD1-CB 4.33Å; L376-I411 HydrophobicContact CD1-CG1 4.35Å; L376-I411 HydrophobicContact CD1-CG2 4.02Å; L376-I414 HydrophobicContact CB-CD1 4.38Å; L376-I414 HydrophobicContact CB-CG2 3.77Å; L376-I414 HydrophobicContact CD1-CB 4.43Å; L376-I414 HydrophobicContact CD1-CD1 4.5Å; L376-I414 HydrophobicContact CD1-CG2 4.39Å; L376-F415 HydrophobicContact CD1-CE2 4.09Å; L376-F415 HydrophobicContact CD1-CZ 4.19Å; L376-F415 HydrophobicContact CD2-CE1 3.79Å; L376-F415 HydrophobicContact CD2-CE2 4.27Å; L376-F415 HydrophobicContact CD2-CZ 3.54Å
377P93.1Very high91.4Very high47 Ų4725.6 Ų25.631%0.30515%0.148SC..Hα-helixtrans-57.5-41.2176.6-26.636000113P343 P373 Q381P343-P377 HydrophobicContact CG-CB 4.02Å; P373-P377 VanDerWaalsContact O-CD 3.29Å; P373-P377 WeakPolarHBondContact O-CD 3.45Å; P377-Q381 WeakPolarHBondContact O-CG 3.35Å; P377-Q381 PolarHBondContact O-N 3.21Å
378A93.3Very high91.5Very high0 Ų024.7 Ų24.70%013%0.133CC..Hα-helixtrans-66.1-45.317500000111.4L342 P343 I346 I362 I375 L376 L380 Q381 I382L342-A378 HydrophobicContact CD2-CB 3.82Å; L342-A378 HydrophobicContact CG-CB 4.07Å; P343-A378 HydrophobicContact CG-CB 4.24Å; I346-A378 HydrophobicContact CD1-CB 3.53Å; I346-A378 WeakPolarHBondContact CD1-O 3.21Å; I362-A378 HydrophobicContact CD1-CB 4.2Å; I375-A378 WeakPolarHBondContact O-CB 3.05Å; I375-A378 PolarHBondContact O-N 3.44Å; I375-A378 VanDerWaalsContact O-N 3.14Å; L376-A378 VanDerWaalsContact C-N 3.29Å; L376-A378 PolarHBondContact O-N 3.16Å; A378-L380 VanDerWaalsContact C-N 3.33Å; A378-L380 PolarHBondContact O-N 3.29Å; A378-Q381 PolarHBondContact O-N 2.89Å; A378-I382 WeakPolarHBondContact O-CG1 3.4Å; A378-I382 PolarHBondContact O-N 3.41Å
379V94.5Very high91.5Very high0 Ų028.6 Ų28.60%015%0.154CC..Hα-helixtrans-62.6-38.5179.1175.20000112.2F359 I362 F366 I375 L376 I382 L383 M395 L399F359-V379 HydrophobicContact CD2-CG1 4.05Å; F359-V379 HydrophobicContact CD2-CG2 4.11Å; F359-V379 HydrophobicContact CE2-CG1 3.71Å; F359-V379 HydrophobicContact CE2-CG2 4.19Å; I362-V379 HydrophobicContact CD1-CG2 3.69Å; I362-V379 HydrophobicContact CG1-CG2 4.2Å; F366-V379 HydrophobicContact CE1-CG2 4.27Å; F366-V379 HydrophobicContact CZ-CG2 3.98Å; I375-V379 HydrophobicContact CG2-CG2 3.73Å; I375-V379 WeakPolarHBondContact O-CG2 3.38Å; I375-V379 PolarHBondContact O-N 2.98Å; I375-V379 VanDerWaalsContact O-N 3.07Å; L376-V379 PolarHBondContact O-N 3.37Å; L376-V379 VanDerWaalsContact O-N 3.17Å; V379-I382 PolarHBondContact O-N 3.37Å; V379-L383 WeakPolarHBondContact O-CB 3.38Å; V379-L383 PolarHBondContact O-N 3.12Å; V379-M395 HydrophobicContact CG1-CE 3.87Å; V379-L399 HydrophobicContact CG1-CD1 4.04Å; V379-L399 HydrophobicContact CG1-CD2 4.04Å; V379-L399 HydrophobicContact CG1-CG 4.41Å
380L93.2Very high91.6Very high6 Ų628.6 Ų28.63%0.03115%0.149CC..Hα-helixtrans-73.2-30.7179.7-69.8164.7000112.8L376 A378 L383 D384 I414 F415 N418 L422L376-L380 WeakPolarHBondContact O-CB 3.38Å; L376-L380 VanDerWaalsContact O-CG 3.31Å; L376-L380 WeakPolarHBondContact O-CG 3.03Å; L376-L380 PolarHBondContact O-N 3.07Å; A378-L380 VanDerWaalsContact C-N 3.33Å; A378-L380 PolarHBondContact O-N 3.29Å; L380-L383 HydrophobicContact CD2-CD2 4.03Å; L380-L383 WeakPolarHBondContact O-CB 3.22Å; L380-L383 PolarHBondContact O-N 3.42Å; L380-D384 PolarHBondContact O-N 2.78Å; L380-D384 VanDerWaalsContact O-N 3.14Å; L380-I414 HydrophobicContact CD1-CG2 3.55Å; L380-F415 HydrophobicContact CD2-CD1 4.34Å; L380-F415 HydrophobicContact CD2-CE1 4.44Å; L380-N418 HydrophobicContact CD1-CB 3.87Å; L380-N418 HydrophobicContact CD2-CB 4.37Å; L380-L422 HydrophobicContact CD2-CD2 4.07Å
381Q92.4Very high91.7Very high47 Ų4725.5 Ų25.522%0.2214%0.135CC..Hα-helixtrans-68.1-40.1167.8-74.4-178.3-9.600112.2P343 I346 P377 A378 L383 D384 L385P343-Q381 PolarHBondContact O-NE2 3.02Å; P343-Q381 PolarHBondContact O-OE1 3.3Å; I346-Q381 HydrophobicContact CD1-CB 4.39Å; I346-Q381 HydrophobicContact CG2-CB 4.04Å; P377-Q381 WeakPolarHBondContact O-CG 3.35Å; P377-Q381 PolarHBondContact O-N 3.21Å; A378-Q381 PolarHBondContact O-N 2.89Å; Q381-L383 PolarHBondContact O-N 3Å; Q381-D384 WeakPolarHBondContact O-CB 3.48Å; Q381-D384 PolarHBondContact O-N 2.84Å; Q381-L385 PolarHBondContact O-N 2.81Å
382I92.9Very high91.8Very high0 Ų028.3 Ų28.30%015%0.15CC..Hα-helixtrans-63.6-35.5173.7-62.3171.1000110.1I346 C354 V358 F359 I362 A378 V379 D384 L385 V386 M395I346-I382 HydrophobicContact CD1-CD1 4.25Å; I346-I382 HydrophobicContact CD1-CG1 4.06Å; I346-I382 HydrophobicContact CG1-CG1 4.44Å; I346-I382 HydrophobicContact CG2-CG1 4.21Å; C354-I382 HydrophobicContact CB-CD1 4.35Å; C354-I382 HydrophobicContact CB-CG1 4.07Å; C354-I382 HydrophobicContact CB-CG2 4.24Å; V358-I382 HydrophobicContact CB-CD1 4.39Å; V358-I382 HydrophobicContact CG1-CD1 4.16Å; F359-I382 HydrophobicContact CB-CD1 4.14Å; F359-I382 HydrophobicContact CB-CG2 4.44Å; I362-I382 HydrophobicContact CD1-CD1 4.36Å; A378-I382 WeakPolarHBondContact O-CG1 3.4Å; A378-I382 PolarHBondContact O-N 3.41Å; V379-I382 PolarHBondContact O-N 3.37Å; I382-D384 PolarHBondContact O-N 2.83Å; I382-L385 PolarHBondContact O-N 3.36Å; I382-V386 PolarHBondContact O-N 3.48Å; I382-M395 HydrophobicContact CB-CE 4.25Å; I382-M395 HydrophobicContact CG2-CE 4Å; I382-M395 HydrophobicContact CG2-SD 4.13Å
383L92.8Very high91.6Very high1 Ų137 Ų371%0.00518%0.182CC..Hα-helixtrans-62-38.5175-176.459.6000112.7V379 L380 Q381 L385 V386 F391 M395 I421 L422 K425V379-L383 WeakPolarHBondContact O-CB 3.38Å; V379-L383 PolarHBondContact O-N 3.12Å; L380-L383 HydrophobicContact CD2-CD2 4.03Å; L380-L383 WeakPolarHBondContact O-CB 3.22Å; L380-L383 PolarHBondContact O-N 3.42Å; Q381-L383 PolarHBondContact O-N 3Å; L383-L385 VanDerWaalsContact C-N 3.25Å; L383-L385 PolarHBondContact O-N 3.07Å; L383-V386 HydrophobicContact CD1-CG2 4.09Å; L383-V386 WeakPolarHBondContact O-CG2 3.29Å; L383-V386 PolarHBondContact O-N 2.97Å; L383-F391 HydrophobicContact CD1-CB 4.08Å; L383-F391 HydrophobicContact CD1-CD1 4.49Å; L383-F391 HydrophobicContact CD1-CD2 3.13Å; L383-F391 HydrophobicContact CD1-CE2 3.64Å; L383-F391 HydrophobicContact CD1-CG 3.64Å; L383-F391 HydrophobicContact CD1-CZ 4.5Å; L383-M395 HydrophobicContact CB-CE 4.16Å; L383-I421 HydrophobicContact CB-CG2 4.31Å; L383-I421 HydrophobicContact CD2-CG2 3.87Å; L383-I421 HydrophobicContact CG-CG2 3.78Å; L383-L422 HydrophobicContact CD2-CD2 3.96Å; L383-K425 HydrophobicContact CD1-CB 3.95Å; L383-K425 HydrophobicContact CD1-CG 3.88Å; L383-K425 HydrophobicContact CG-CB 4.37Å; L383-K425 HydrophobicContact CG-CG 3.96Å; L383-K425 WeakPolarHBondContact O-CE 3.27Å
384D91.4Very high91.4Very high51 Ų5141.1 Ų41.127%0.27320%0.199SC..Hα-helixtrans-60.2-35.9175.5-158.124.6000111.4L380 Q381 I382 K425 K737L380-D384 PolarHBondContact O-N 2.78Å; L380-D384 VanDerWaalsContact O-N 3.14Å; Q381-D384 WeakPolarHBondContact O-CB 3.48Å; Q381-D384 PolarHBondContact O-N 2.84Å; I382-D384 PolarHBondContact O-N 2.83Å; D384-K425 PolarHBondContact O-NZ 3.47Å; D384-K737 IonicContact OD2-NZ 3.08Å; D384-K737 PolarHBondContact OD2-NZ 3.33Å
385L89.3Confident91.5Very high59 Ų5940.9 Ų40.931%0.30920%0.198SC..Hα-helixtrans-78.1-17.4-176.8-60.2175.4000115.2I346 K351 Q381 I382 L383I346-L385 HydrophobicContact CG2-CD1 4.08Å; K351-L385 VanDerWaalsContact CD-O 3.23Å; K351-L385 WeakPolarHBondContact CD-O 3.22Å; K351-L385 WeakPolarHBondContact CE-O 3.34Å; K351-L385 HydrophobicContact CG-CB 4.38Å; K351-L385 PolarHBondContact NZ-O 2.92Å; Q381-L385 PolarHBondContact O-N 2.81Å; I382-L385 PolarHBondContact O-N 3.36Å; L383-L385 VanDerWaalsContact C-N 3.25Å; L383-L385 PolarHBondContact O-N 3.07Å
386V90.3Very high91.4Very high4 Ų441.1 Ų41.12%0.02420%0.199CC..SBendtrans-99.5157.5-173.7-63.40000113.7L355 I382 L383 E390 F391 M395 K425L355-V386 HydrophobicContact CB-CG1 4.49Å; L355-V386 HydrophobicContact CD1-CG1 4.06Å; L355-V386 HydrophobicContact CD2-CG1 4.04Å; L355-V386 HydrophobicContact CG-CG1 4.43Å; I382-V386 PolarHBondContact O-N 3.48Å; L383-V386 HydrophobicContact CD1-CG2 4.09Å; L383-V386 WeakPolarHBondContact O-CG2 3.29Å; L383-V386 PolarHBondContact O-N 2.97Å; V386-E390 WeakPolarHBondContact CA-OE2 3.28Å; V386-E390 HydrophobicContact CB-CB 4.03Å; V386-E390 WeakPolarHBondContact CB-OE2 3.18Å; V386-E390 HydrophobicContact CG1-CB 4.48Å; V386-F391 HydrophobicContact CG2-CB 4.11Å; V386-M395 HydrophobicContact CG1-SD 4.38Å; V386-M395 HydrophobicContact CG2-SD 3.84Å; V386-K425 WeakPolarHBondContact O-CE 3.18Å; V386-K425 PolarHBondContact O-NZ 2.72Å
387T90.8Very high91.3Very high64 Ų6445 Ų4539%0.39322%0.224SC..  trans-77.2163.4169.5710000110.5D389 E390 F391T387-D389 VanDerWaalsContact C-N 3.3Å; T387-D389 PolarHBondContact O-N 2.9Å; T387-E390 PolarHBondContact N-OE2 3.08Å; T387-E390 PolarHBondContact O-N 3.25Å; T387-E390 WeakPolarHBondContact OG1-CG 3.26Å; T387-E390 PolarHBondContact OG1-N 2.96Å; T387-E390 PolarHBondContact OG1-OE2 3.34Å; T387-F391 WeakPolarHBondContact O-CB 3.36Å; T387-F391 PolarHBondContact O-N 3.28Å
388Q90.1Very high91.2Very high81 Ų8146.4 Ų46.438%0.37922%0.223SC..Hα-helixtrans-58.6-40.1175.9175.5159.889.500112.2F391 I392 K425 P427Q388-F391 WeakPolarHBondContact O-CB 3.49Å; Q388-F391 PolarHBondContact O-N 3.11Å; Q388-I392 HydrophobicContact CG-CD1 3.81Å; Q388-I392 WeakPolarHBondContact O-CD1 3.49Å; Q388-I392 WeakPolarHBondContact O-CG1 3.48Å; Q388-I392 PolarHBondContact O-N 2.96Å; Q388-K425 WeakPolarHBondContact CG-O 3.44Å; Q388-K425 PolarHBondContact NE2-O 3.14Å; Q388-P427 HydrophobicContact CG-CG 4.14Å
389D89.3Confident91.1Very high122 Ų12246.7 Ų46.765%0.65223%0.225SC*.Hα-helixtrans-67-42.4178.3-58.8-59.2000112.8T387 F391 R393T387-D389 VanDerWaalsContact C-N 3.3Å; T387-D389 PolarHBondContact O-N 2.9Å; D389-F391 VanDerWaalsContact C-N 3.34Å; D389-R393 WeakPolarHBondContact O-CB 3.42Å; D389-R393 PolarHBondContact O-N 2.99Å
390E89.7Confident91Very high48 Ų4848.7 Ų48.722%0.22424%0.235CC..Hα-helixtrans-63.3-41.6174.6-72.2169.6149.500111.1K351 L355 V386 T387 R393 Y394K351-E390 WeakPolarHBondContact CE-OE1 3.33Å; K351-E390 WeakPolarHBondContact CE-OE2 3.36Å; K351-E390 IonicContact NZ-OE1 2.7Å; K351-E390 PolarHBondContact NZ-OE1 2.94Å; K351-E390 IonicContact NZ-OE2 2.87Å; K351-E390 PolarHBondContact NZ-OE2 3.02Å; L355-E390 HydrophobicContact CD2-CB 4.14Å; L355-E390 HydrophobicContact CD2-CG 4.25Å; V386-E390 WeakPolarHBondContact CA-OE2 3.28Å; V386-E390 HydrophobicContact CB-CB 4.03Å; V386-E390 WeakPolarHBondContact CB-OE2 3.18Å; V386-E390 HydrophobicContact CG1-CB 4.48Å; T387-E390 PolarHBondContact N-OE2 3.08Å; T387-E390 PolarHBondContact O-N 3.25Å; T387-E390 WeakPolarHBondContact OG1-CG 3.26Å; T387-E390 PolarHBondContact OG1-N 2.96Å; T387-E390 PolarHBondContact OG1-OE2 3.34Å; E390-R393 PolarHBondContact O-N 3.25Å; E390-Y394 HydrophobicContact CB-CD2 4.31Å; E390-Y394 WeakPolarHBondContact O-CB 3.33Å; E390-Y394 WeakPolarHBondContact O-CD2 3.49Å; E390-Y394 PolarHBondContact O-N 3.26Å
391F92.2Very high90.8Very high0 Ų052.1 Ų52.10%026%0.258CS..Iπ-helixtrans-58.6-53.8175.7168-114.2000111.6L383 V386 T387 Q388 D389 R393 M395 L396 L399 K425 F426L383-F391 HydrophobicContact CD1-CB 4.08Å; L383-F391 HydrophobicContact CD1-CD1 4.49Å; L383-F391 HydrophobicContact CD1-CD2 3.13Å; L383-F391 HydrophobicContact CD1-CE2 3.64Å; L383-F391 HydrophobicContact CD1-CG 3.64Å; L383-F391 HydrophobicContact CD1-CZ 4.5Å; V386-F391 HydrophobicContact CG2-CB 4.11Å; T387-F391 WeakPolarHBondContact O-CB 3.36Å; T387-F391 PolarHBondContact O-N 3.28Å; Q388-F391 WeakPolarHBondContact O-CB 3.49Å; Q388-F391 PolarHBondContact O-N 3.11Å; D389-F391 VanDerWaalsContact C-N 3.34Å; F391-R393 VanDerWaalsContact C-N 3.29Å; F391-R393 PolarHBondContact O-N 3.47Å; F391-M395 HydrophobicContact CD2-CB 3.72Å; F391-M395 HydrophobicContact CD2-SD 4.47Å; F391-M395 HydrophobicContact CE2-CB 4.09Å; F391-M395 PolarHBondContact O-N 2.81Å; F391-L396 HydrophobicContact CE1-CB 4.06Å; F391-L396 HydrophobicContact CE1-CD1 4.13Å; F391-L396 HydrophobicContact CE1-CD2 4.44Å; F391-L396 HydrophobicContact CE1-CG 4.44Å; F391-L396 HydrophobicContact CE2-CB 4.1Å; F391-L396 HydrophobicContact CZ-CB 3.78Å; F391-L396 HydrophobicContact CZ-CD1 3.76Å; F391-L396 HydrophobicContact CZ-CG 4.27Å; F391-L396 PolarHBondContact O-N 3.35Å; F391-L399 HydrophobicContact CE2-CD1 3.93Å; F391-K425 HydrophobicContact CD1-CB 4.27Å; F391-K425 HydrophobicContact CG-CB 4.48Å; F391-F426 HydrophobicContact CE1-CD1 4.28Å; F391-F426 AromaticContact CE1-CD2 3.65Å; F391-F426 HydrophobicContact CE1-CD2 3.65Å; F391-F426 HydrophobicContact CE1-CE1 4.26Å; F391-F426 AromaticContact CE1-CE2 3.63Å; F391-F426 HydrophobicContact CE1-CE2 3.63Å; F391-F426 AromaticContact CE1-CG 3.99Å; F391-F426 HydrophobicContact CE1-CG 3.99Å; F391-F426 AromaticContact CE1-CZ 3.96Å; F391-F426 HydrophobicContact CE1-CZ 3.96Å; F391-F426 HydrophobicContact CE2-CE2 4.24Å; F391-F426 AromaticContact CZ-CD2 3.83Å; F391-F426 HydrophobicContact CZ-CD2 3.83Å; F391-F426 HydrophobicContact CZ-CE1 4.08Å; F391-F426 AromaticContact CZ-CE2 3.28Å; F391-F426 HydrophobicContact CZ-CE2 3.28Å; F391-F426 HydrophobicContact CZ-CG 4.44Å; F391-F426 AromaticContact CZ-CZ 3.44Å; F391-F426 HydrophobicContact CZ-CZ 3.44Å; F391-F426 VanDerWaalsContact CZ-CZ 3.44Å
392I91.2Very high90.7Very high59 Ų5950 Ų5030%0.30325%0.248SC..Iπ-helixtrans-59.4-41.9179.6-65.3159.4000110.9Q388 L396 P397 P427Q388-I392 HydrophobicContact CG-CD1 3.81Å; Q388-I392 WeakPolarHBondContact O-CD1 3.49Å; Q388-I392 WeakPolarHBondContact O-CG1 3.48Å; Q388-I392 PolarHBondContact O-N 2.96Å; I392-L396 HydrophobicContact CG1-CD2 4.45Å; I392-L396 HydrophobicContact CG2-CD2 4.47Å; I392-P397 WeakPolarHBondContact O-CD 3.4Å; I392-P427 HydrophobicContact CD1-CG 3.51Å; I392-P427 HydrophobicContact CG1-CG 4.16Å
393R88Confident90.5Very high182 Ų18250.5 Ų50.569%0.68725%0.25SS*.Iπ-helixtrans-76.7-37.8-173.7-172.4172.3-177.2166.32.6114.1D389 E390 F391D389-R393 WeakPolarHBondContact O-CB 3.42Å; D389-R393 PolarHBondContact O-N 2.99Å; E390-R393 PolarHBondContact O-N 3.25Å; F391-R393 VanDerWaalsContact C-N 3.29Å; F391-R393 PolarHBondContact O-N 3.47Å
394Y88Confident90.2Very high88 Ų8854.4 Ų54.435%0.34528%0.278SS..Iπ-helixtrans-116-30.4-168.4-58.7-63.2000114.5L355 F356 F359 E390L355-Y394 HydrophobicContact CD1-CD2 4.48Å; L355-Y394 HydrophobicContact CD2-CD2 4Å; L355-Y394 HydrophobicContact CG-CD2 4.46Å; F356-Y394 HydrophobicContact CE1-CD1 4.01Å; F356-Y394 HydrophobicContact CE1-CD2 4.01Å; F356-Y394 AromaticContact CE1-CE1 3.81Å; F356-Y394 HydrophobicContact CE1-CE1 3.81Å; F356-Y394 AromaticContact CE1-CE2 3.8Å; F356-Y394 HydrophobicContact CE1-CE2 3.8Å; F356-Y394 HydrophobicContact CE1-CG 4.11Å; F356-Y394 AromaticContact CE1-CZ 3.7Å; F356-Y394 HydrophobicContact CZ-CD2 4.32Å; F356-Y394 AromaticContact CZ-CE2 3.88Å; F356-Y394 HydrophobicContact CZ-CE2 3.88Å; F359-Y394 WeakPolarHBondContact CE1-O 2.88Å; E390-Y394 HydrophobicContact CB-CD2 4.31Å; E390-Y394 WeakPolarHBondContact O-CB 3.33Å; E390-Y394 WeakPolarHBondContact O-CD2 3.49Å; E390-Y394 PolarHBondContact O-N 3.26Å
395M92.8Very high90Very high0 Ų053.9 Ų53.90%027%0.274CS..Iπ-helixtrans-107.7-45.8-171.7-65.2179.372.900113.5L355 F359 V379 I382 L383 V386 F391 P397 R398 L399L355-M395 HydrophobicContact CD1-CG 3.91Å; L355-M395 HydrophobicContact CD1-SD 4.08Å; F359-M395 HydrophobicContact CD1-CG 3.92Å; F359-M395 HydrophobicContact CD2-CE 3.79Å; F359-M395 HydrophobicContact CD2-CG 4.32Å; F359-M395 HydrophobicContact CE1-CB 4.05Å; F359-M395 HydrophobicContact CE1-CG 3.75Å; F359-M395 HydrophobicContact CE2-CB 4.35Å; F359-M395 HydrophobicContact CE2-CE 3.85Å; F359-M395 HydrophobicContact CE2-CG 4.15Å; F359-M395 HydrophobicContact CG-CE 4.38Å; F359-M395 HydrophobicContact CG-CG 4.21Å; F359-M395 HydrophobicContact CZ-CB 3.85Å; F359-M395 HydrophobicContact CZ-CE 4.48Å; F359-M395 HydrophobicContact CZ-CG 3.87Å; V379-M395 HydrophobicContact CG1-CE 3.87Å; I382-M395 HydrophobicContact CB-CE 4.25Å; I382-M395 HydrophobicContact CG2-CE 4Å; I382-M395 HydrophobicContact CG2-SD 4.13Å; L383-M395 HydrophobicContact CB-CE 4.16Å; V386-M395 HydrophobicContact CG1-SD 4.38Å; V386-M395 HydrophobicContact CG2-SD 3.84Å; F391-M395 HydrophobicContact CD2-CB 3.72Å; F391-M395 HydrophobicContact CD2-SD 4.47Å; F391-M395 HydrophobicContact CE2-CB 4.09Å; F391-M395 PolarHBondContact O-N 2.81Å; M395-P397 VanDerWaalsContact C-CD 3.47Å; M395-R398 PolarHBondContact O-N 2.66Å; M395-R398 VanDerWaalsContact O-N 3.1Å; M395-L399 HydrophobicContact CB-CD1 4.31Å; M395-L399 PolarHBondContact O-N 3.06Å; M395-L399 VanDerWaalsContact O-N 3.15Å
396L91.6Very high89.8Confident5 Ų557.5 Ų57.53%0.02629%0.287CS..Hα-helixtrans-52.6-45.2-176.7177.863.4000113.5F391 I392 R398 L399 I400 F426 E430 Y434F391-L396 HydrophobicContact CE1-CB 4.06Å; F391-L396 HydrophobicContact CE1-CD1 4.13Å; F391-L396 HydrophobicContact CE1-CD2 4.44Å; F391-L396 HydrophobicContact CE1-CG 4.44Å; F391-L396 HydrophobicContact CE2-CB 4.1Å; F391-L396 HydrophobicContact CZ-CB 3.78Å; F391-L396 HydrophobicContact CZ-CD1 3.76Å; F391-L396 HydrophobicContact CZ-CG 4.27Å; F391-L396 PolarHBondContact O-N 3.35Å; I392-L396 HydrophobicContact CG1-CD2 4.45Å; I392-L396 HydrophobicContact CG2-CD2 4.47Å; L396-R398 PolarHBondContact O-N 3.02Å; L396-R398 VanDerWaalsContact O-N 3.14Å; L396-L399 PolarHBondContact O-N 2.94Å; L396-I400 HydrophobicContact CD1-CD1 4.18Å; L396-I400 HydrophobicContact CD1-CG1 3.9Å; L396-I400 HydrophobicContact CG-CD1 4.04Å; L396-I400 HydrophobicContact CG-CG1 4.29Å; L396-I400 WeakPolarHBondContact O-CG1 3.48Å; L396-I400 PolarHBondContact O-N 2.97Å; L396-I400 VanDerWaalsContact O-N 3.07Å; L396-F426 HydrophobicContact CD1-CE1 3.74Å; L396-F426 HydrophobicContact CD1-CZ 4.1Å; L396-E430 HydrophobicContact CD2-CB 4.41Å; L396-E430 HydrophobicContact CD2-CG 3.98Å; L396-Y434 HydrophobicContact CD1-CD2 4.4Å
397P90.8Very high89.5Confident82 Ų8262.4 Ų62.453%0.53231%0.31SS..Hα-helixtrans-60.1-29.3-179.2-24.835.8000114I392 M395I392-P397 WeakPolarHBondContact O-CD 3.4Å; M395-P397 VanDerWaalsContact C-CD 3.47Å
398R90.8Very high89.4Confident75 Ų7559.5 Ų59.528%0.28329%0.292SS..Hα-helixtrans-87.7-20.9177.2-66.7-171.6168-143.4-12.3113F359 P360 S363 E364 F366 M395 L396F359-R398 HydrophobicContact CE1-CB 4.42Å; F359-R398 HydrophobicContact CZ-CB 4.05Å; P360-R398 PolarHBondContact O-NH1 3.08Å; S363-R398 VanDerWaalsContact OG-CD 3.27Å; S363-R398 WeakPolarHBondContact OG-CD 3.21Å; S363-R398 PolarHBondContact OG-NH1 2.7Å; E364-R398 IonicContact OE1-CZ 2.65Å; E364-R398 IonicContact OE1-NH1 2.94Å; E364-R398 PolarHBondContact OE1-NH1 2.92Å; E364-R398 IonicContact OE1-NH2 3.79Å; E364-R398 PolarHBondContact OE1-NH2 2.75Å; F366-R398 HydrophobicContact CD2-CB 4.41Å; F366-R398 VanDerWaalsContact CD2-O 3.22Å; F366-R398 WeakPolarHBondContact CD2-O 3.22Å; F366-R398 HydrophobicContact CE2-CB 4.22Å; F366-R398 WeakPolarHBondContact CE2-O 3.49Å; M395-R398 PolarHBondContact O-N 2.66Å; M395-R398 VanDerWaalsContact O-N 3.1Å; L396-R398 PolarHBondContact O-N 3.02Å; L396-R398 VanDerWaalsContact O-N 3.14Å
399L92Very high89.3Confident6 Ų657.9 Ų57.93%0.03129%0.286CS..Hα-helixtrans-87.8-27-179.9-84.7164.9000114F366 L376 V379 F391 M395 L396 V402 M403 F415F366-L399 HydrophobicContact CE2-CD2 4.24Å; F366-L399 HydrophobicContact CE2-CG 4.43Å; F366-L399 HydrophobicContact CZ-CD2 4.02Å; L376-L399 HydrophobicContact CD2-CD2 4.31Å; V379-L399 HydrophobicContact CG1-CD1 4.04Å; V379-L399 HydrophobicContact CG1-CD2 4.04Å; V379-L399 HydrophobicContact CG1-CG 4.41Å; F391-L399 HydrophobicContact CE2-CD1 3.93Å; M395-L399 HydrophobicContact CB-CD1 4.31Å; M395-L399 PolarHBondContact O-N 3.06Å; M395-L399 VanDerWaalsContact O-N 3.15Å; L396-L399 PolarHBondContact O-N 2.94Å; L399-V402 WeakPolarHBondContact O-CB 2.96Å; L399-V402 PolarHBondContact O-N 3.3Å; L399-M403 WeakPolarHBondContact O-CG 3.24Å; L399-M403 PolarHBondContact O-N 2.66Å; L399-F415 HydrophobicContact CD2-CZ 4.35Å
400I91.1Very high89.3Confident42 Ų4253.5 Ų53.522%0.21526%0.261CS..Hα-helixtrans-51.2-46.2178.7-72.8160.8000113.3L396 V402 M403 S404 Y434L396-I400 HydrophobicContact CD1-CD1 4.18Å; L396-I400 HydrophobicContact CD1-CG1 3.9Å; L396-I400 HydrophobicContact CG-CD1 4.04Å; L396-I400 HydrophobicContact CG-CG1 4.29Å; L396-I400 WeakPolarHBondContact O-CG1 3.48Å; L396-I400 PolarHBondContact O-N 2.97Å; L396-I400 VanDerWaalsContact O-N 3.07Å; I400-V402 VanDerWaalsContact C-N 3.31Å; I400-V402 PolarHBondContact O-N 2.99Å; I400-M403 PolarHBondContact O-N 2.71Å; I400-S404 PolarHBondContact O-OG 2.77Å; I400-Y434 HydrophobicContact CB-CE1 4.36Å; I400-Y434 HydrophobicContact CD1-CD2 4.49Å; I400-Y434 HydrophobicContact CD1-CE1 4.27Å; I400-Y434 HydrophobicContact CD1-CE2 3.7Å; I400-Y434 HydrophobicContact CG1-CD1 4.22Å; I400-Y434 HydrophobicContact CG1-CD2 4.05Å; I400-Y434 HydrophobicContact CG1-CE1 3.92Å; I400-Y434 HydrophobicContact CG1-CE2 3.72Å; I400-Y434 HydrophobicContact CG1-CG 4.29Å; I400-Y434 HydrophobicContact CG2-CD1 4.08Å; I400-Y434 HydrophobicContact CG2-CE1 3.57Å
401P89.2Confident89.4Confident79 Ų7951.2 Ų51.251%0.51325%0.251SS..Hα-helixtrans-61-40.4176.1-23.534.9000112.5S404P401-S404 WeakPolarHBondContact O-CB 3.47Å; P401-S404 PolarHBondContact O-N 2.83Å
402V91Very high89.3Confident1 Ų151.3 Ų51.31%0.00625%0.251CS..Hα-helixtrans-67.5-39.8-177.7-178.90000112F366 V372 L376 L399 I400 S404 M405 I411 F415F366-V402 HydrophobicContact CB-CG2 3.74Å; F366-V402 HydrophobicContact CD1-CG2 3.79Å; F366-V402 HydrophobicContact CD2-CG2 3.57Å; F366-V402 HydrophobicContact CE1-CG2 4.19Å; F366-V402 HydrophobicContact CE2-CG2 4Å; F366-V402 HydrophobicContact CG-CG2 3.44Å; F366-V402 VanDerWaalsContact CG-CG2 3.44Å; F366-V402 HydrophobicContact CZ-CG2 4.28Å; V372-V402 HydrophobicContact CG1-CG1 3.47Å; V372-V402 VanDerWaalsContact CG1-CG1 3.47Å; L376-V402 HydrophobicContact CD1-CG1 4.42Å; L376-V402 HydrophobicContact CD2-CG1 4.08Å; L399-V402 WeakPolarHBondContact O-CB 2.96Å; L399-V402 PolarHBondContact O-N 3.3Å; I400-V402 VanDerWaalsContact C-N 3.31Å; I400-V402 PolarHBondContact O-N 2.99Å; V402-S404 PolarHBondContact O-N 3.36Å; V402-M405 HydrophobicContact CG1-SD 4.35Å; V402-M405 WeakPolarHBondContact O-CB 3.46Å; V402-M405 PolarHBondContact O-N 3.46Å; V402-M405 VanDerWaalsContact O-N 3.13Å; V402-I411 HydrophobicContact CG1-CG2 4.35Å; V402-F415 HydrophobicContact CG1-CE2 4.09Å; V402-F415 HydrophobicContact CG1-CZ 4.03Å
403M87.4Confident89.3Confident12 Ų1249.1 Ų49.16%0.05924%0.24CC..Hα-helixtrans-66-16.2176.8-65.6178.176.200113.4L399 I400 F415 F426 V435L399-M403 WeakPolarHBondContact O-CG 3.24Å; L399-M403 PolarHBondContact O-N 2.66Å; I400-M403 PolarHBondContact O-N 2.71Å; M403-F415 HydrophobicContact CG-CE1 4.37Å; M403-F415 HydrophobicContact CG-CE2 4.02Å; M403-F415 HydrophobicContact CG-CZ 3.78Å; M403-F426 HydrophobicContact CE-CE1 3.87Å; M403-F426 HydrophobicContact CE-CZ 3.69Å; M403-F426 HydrophobicContact SD-CE1 3.91Å; M403-F426 HydrophobicContact SD-CZ 3.57Å; M403-F426 VanDerWaalsContact SD-CZ 3.57Å; M403-V435 HydrophobicContact CE-CB 4.42Å; M403-V435 HydrophobicContact CE-CG2 3.65Å
404S87.4Confident89.4Confident83 Ų8340.7 Ų40.758%0.5821%0.209SC*.THydrogen-bonded Turntrans-92.9-5.5177.5-53.90000113.2I400 P401 V402I400-S404 PolarHBondContact O-OG 2.77Å; P401-S404 WeakPolarHBondContact O-CB 3.47Å; P401-S404 PolarHBondContact O-N 2.83Å; V402-S404 PolarHBondContact O-N 3.36Å
405M87.2Confident89.6Confident40 Ų4036.7 Ų36.720%0.19719%0.193CC..  trans-75.8130.6-178.8-62.4178.8123.300111.3P369 V372 V402 I411P369-M405 HydrophobicContact CB-CE 3.82Å; P369-M405 HydrophobicContact CG-CE 3.68Å; V372-M405 HydrophobicContact CG2-SD 4.08Å; V402-M405 HydrophobicContact CG1-SD 4.35Å; V402-M405 WeakPolarHBondContact O-CB 3.46Å; V402-M405 PolarHBondContact O-N 3.46Å; V402-M405 VanDerWaalsContact O-N 3.13Å; M405-I411 HydrophobicContact CB-CD1 3.74Å; M405-I411 HydrophobicContact CG-CD1 4.39Å; M405-I411 HydrophobicContact SD-CD1 3.78Å
406K84.8Confident89.5Confident134 Ų13436.9 Ų36.958%0.58319%0.194SC*.  trans-90.6-33175-54.8-166.5176.9-178.20112.8L441K406-L441 HydrophobicContact CD-CD1 4.22Å; K406-L441 HydrophobicContact CD-CD2 4.48Å; K406-L441 HydrophobicContact CG-CD2 3.95Å
407E83.9Confident89.4Confident108 Ų10838.5 Ų38.551%0.50520%0.201SC..SBendtrans-123.5139.3-179.6-70.4-61.6162.500110.2I409E407-I409 PolarHBondContact OE2-N 3.04Å
408P88.7Confident89.3Confident2 Ų236 Ų361%0.01318%0.183CC..SBendcis-69.2140.5-4.7-20.334.2000113.3P369 P373 Q410 I411P369-P408 WeakPolarHBondContact O-CD 3.31Å; P369-P408 WeakPolarHBondContact O-CG 3.38Å; P373-P408 HydrophobicContact CG-CB 4.23Å; P373-P408 HydrophobicContact CG-CG 4.19Å; P408-Q410 PolarHBondContact O-N 2.86Å; P408-I411 WeakPolarHBondContact O-CB 3.16Å; P408-I411 WeakPolarHBondContact O-CG1 3.29Å; P408-I411 PolarHBondContact O-N 2.96Å
409I88.2Confident89.2Confident48 Ų4832.6 Ų32.625%0.24617%0.171CC..THydrogen-bonded Turntrans-43.7-32.8178.2-68.4175.1000113.7E407 I411 I412 L413 I450E407-I409 PolarHBondContact OE2-N 3.04Å; I409-I411 PolarHBondContact O-N 3.28Å; I409-I412 PolarHBondContact O-N 3.31Å; I409-L413 PolarHBondContact O-N 2.93Å; I409-I450 HydrophobicContact CG2-CD1 3.31Å
410Q88.8Confident88.9Confident29 Ų2937.9 Ų37.914%0.13620%0.195CC..Hα-helixtrans-67.5-18.3-178-54.191.9-25.400113.9P373 P408 I412 L413 I414 L747P373-Q410 HydrophobicContact CB-CB 4.42Å; P408-Q410 PolarHBondContact O-N 2.86Å; Q410-I412 VanDerWaalsContact C-N 3.35Å; Q410-L413 PolarHBondContact O-N 3.43Å; Q410-I414 WeakPolarHBondContact O-CD1 3.27Å; Q410-I414 VanDerWaalsContact O-CG1 3.23Å; Q410-I414 WeakPolarHBondContact O-CG1 3.49Å; Q410-I414 PolarHBondContact O-N 3.13Å; Q410-L747 HydrophobicContact CB-CD2 3.43Å; Q410-L747 VanDerWaalsContact CB-CD2 3.43Å; Q410-L747 HydrophobicContact CB-CG 4.4Å; Q410-L747 HydrophobicContact CG-CD2 3.45Å; Q410-L747 VanDerWaalsContact CG-CD2 3.45Å; Q410-L747 HydrophobicContact CG-CG 4.32Å
411I91.5Very high88.7Confident1 Ų136.3 Ų36.31%0.00519%0.187CC..Hα-helixtrans-55.2-52.4169.8-68.6177.8000109.9V372 P373 L376 V402 M405 P408 I409 L413 I414 F415V372-I411 HydrophobicContact CB-CD1 3.96Å; V372-I411 HydrophobicContact CB-CG1 4.26Å; V372-I411 HydrophobicContact CG1-CD1 3.68Å; V372-I411 HydrophobicContact CG1-CG1 3.75Å; P373-I411 HydrophobicContact CG-CG1 4.11Å; L376-I411 HydrophobicContact CD1-CB 4.33Å; L376-I411 HydrophobicContact CD1-CG1 4.35Å; L376-I411 HydrophobicContact CD1-CG2 4.02Å; V402-I411 HydrophobicContact CG1-CG2 4.35Å; M405-I411 HydrophobicContact CB-CD1 3.74Å; M405-I411 HydrophobicContact CG-CD1 4.39Å; M405-I411 HydrophobicContact SD-CD1 3.78Å; P408-I411 WeakPolarHBondContact O-CB 3.16Å; P408-I411 WeakPolarHBondContact O-CG1 3.29Å; P408-I411 PolarHBondContact O-N 2.96Å; I409-I411 PolarHBondContact O-N 3.28Å; I411-L413 VanDerWaalsContact C-N 3.33Å; I411-L413 PolarHBondContact O-N 3.36Å; I411-I414 PolarHBondContact O-N 2.79Å; I411-F415 HydrophobicContact CG2-CD2 3.91Å; I411-F415 HydrophobicContact CG2-CE2 3.69Å; I411-F415 VanDerWaalsContact O-CD2 3.31Å; I411-F415 WeakPolarHBondContact O-CD2 3.34Å; I411-F415 PolarHBondContact O-N 3.35Å; I411-F415 VanDerWaalsContact O-N 3.13Å
412I91.1Very high88.5Confident2 Ų232.7 Ų32.71%0.0116%0.164CC..Hα-helixtrans-65-41-179.3-62.2170.3000109.9I409 Q410 I414 F415 L416 L441 A442 I445 I450I409-I412 PolarHBondContact O-N 3.31Å; Q410-I412 VanDerWaalsContact C-N 3.35Å; I412-I414 PolarHBondContact O-N 3.38Å; I412-F415 PolarHBondContact O-N 3.16Å; I412-L416 HydrophobicContact CG2-CD1 3.97Å; I412-L416 HydrophobicContact CG2-CG 4.31Å; I412-L416 WeakPolarHBondContact O-CB 3.48Å; I412-L416 VanDerWaalsContact O-CG 3.28Å; I412-L416 WeakPolarHBondContact O-CG 3.45Å; I412-L416 PolarHBondContact O-N 3.36Å; I412-L441 HydrophobicContact CD1-CD2 3.66Å; I412-L441 HydrophobicContact CD1-CG 4.16Å; I412-A442 HydrophobicContact CG2-CB 3.97Å; I412-I445 HydrophobicContact CD1-CD1 3.35Å; I412-I450 HydrophobicContact CB-CD1 4.42Å; I412-I450 HydrophobicContact CG2-CD1 4.39Å; I412-I450 HydrophobicContact CG2-CG2 4.17Å
413L90.8Very high88.2Confident13 Ų1335.2 Ų35.27%0.06818%0.181CC..Hα-helixtrans-59.1-44.9176.5-17463.7000112.3I409 Q410 I411 L416 Q417 M449 I450 L453 I743I409-L413 PolarHBondContact O-N 2.93Å; Q410-L413 PolarHBondContact O-N 3.43Å; I411-L413 VanDerWaalsContact C-N 3.33Å; I411-L413 PolarHBondContact O-N 3.36Å; L413-L416 PolarHBondContact O-N 3.28Å; L413-Q417 VanDerWaalsContact O-CG 3.3Å; L413-Q417 WeakPolarHBondContact O-CG 3.49Å; L413-Q417 PolarHBondContact O-N 3.43Å; L413-M449 HydrophobicContact CD1-CE 4.15Å; L413-M449 HydrophobicContact CD1-CG 4.17Å; L413-M449 HydrophobicContact CD1-SD 4.11Å; L413-M449 HydrophobicContact CD2-CE 4.23Å; L413-M449 HydrophobicContact CD2-SD 4Å; L413-I450 HydrophobicContact CB-CD1 4.39Å; L413-I450 HydrophobicContact CB-CG1 4.31Å; L413-I450 HydrophobicContact CD1-CG1 4.06Å; L413-L453 HydrophobicContact CD1-CD2 3.86Å; L413-I743 HydrophobicContact CD2-CD1 3.83Å; L413-I743 HydrophobicContact CD2-CG2 4.24Å; L413-I743 HydrophobicContact CG-CD1 4.31Å
414I91.3Very high88.2Confident5 Ų540.3 Ų40.33%0.02621%0.205CC..Hα-helixtrans-66.2-42.1179.9-68.1161.3000111.2P373 L376 L380 Q410 I411 I412 Q417 N418 I743 L747P373-I414 HydrophobicContact CB-CD1 3.92Å; P373-I414 VanDerWaalsContact O-CD1 3.28Å; P373-I414 WeakPolarHBondContact O-CD1 3.29Å; L376-I414 HydrophobicContact CB-CD1 4.38Å; L376-I414 HydrophobicContact CB-CG2 3.77Å; L376-I414 HydrophobicContact CD1-CB 4.43Å; L376-I414 HydrophobicContact CD1-CD1 4.5Å; L376-I414 HydrophobicContact CD1-CG2 4.39Å; L380-I414 HydrophobicContact CD1-CG2 3.55Å; Q410-I414 WeakPolarHBondContact O-CD1 3.27Å; Q410-I414 VanDerWaalsContact O-CG1 3.23Å; Q410-I414 WeakPolarHBondContact O-CG1 3.49Å; Q410-I414 PolarHBondContact O-N 3.13Å; I411-I414 PolarHBondContact O-N 2.79Å; I412-I414 PolarHBondContact O-N 3.38Å; I414-Q417 PolarHBondContact O-N 3.42Å; I414-N418 PolarHBondContact O-N 2.87Å; I414-N418 PolarHBondContact O-ND2 3.1Å; I414-I743 HydrophobicContact CD1-CD1 4.47Å; I414-I743 HydrophobicContact CG1-CD1 3.84Å; I414-L747 HydrophobicContact CD1-CD1 4.29Å
415F92.1Very high88.1Confident3 Ų337.2 Ų37.21%0.01318%0.181CC..Hα-helixtrans-64.6-42.1174.9-75.2-54000112.3L376 L380 L399 V402 M403 I411 I412 Q417 N418 L419 L422 M438L376-F415 HydrophobicContact CD1-CE2 4.09Å; L376-F415 HydrophobicContact CD1-CZ 4.19Å; L376-F415 HydrophobicContact CD2-CE1 3.79Å; L376-F415 HydrophobicContact CD2-CE2 4.27Å; L376-F415 HydrophobicContact CD2-CZ 3.54Å; L380-F415 HydrophobicContact CD2-CD1 4.34Å; L380-F415 HydrophobicContact CD2-CE1 4.44Å; L399-F415 HydrophobicContact CD2-CZ 4.35Å; V402-F415 HydrophobicContact CG1-CE2 4.09Å; V402-F415 HydrophobicContact CG1-CZ 4.03Å; M403-F415 HydrophobicContact CG-CE1 4.37Å; M403-F415 HydrophobicContact CG-CE2 4.02Å; M403-F415 HydrophobicContact CG-CZ 3.78Å; I411-F415 HydrophobicContact CG2-CD2 3.91Å; I411-F415 HydrophobicContact CG2-CE2 3.69Å; I411-F415 VanDerWaalsContact O-CD2 3.31Å; I411-F415 WeakPolarHBondContact O-CD2 3.34Å; I411-F415 PolarHBondContact O-N 3.35Å; I411-F415 VanDerWaalsContact O-N 3.13Å; I412-F415 PolarHBondContact O-N 3.16Å; F415-Q417 PolarHBondContact O-N 2.72Å; F415-N418 CarbonylContact O-C 3.39Å; F415-N418 PolarHBondContact O-N 3.03Å; F415-L419 WeakPolarHBondContact O-CA 3.45Å; F415-L419 PolarHBondContact O-N 3.34Å; F415-L422 HydrophobicContact CB-CD1 4.04Å; F415-L422 HydrophobicContact CD1-CD1 3.95Å; F415-L422 HydrophobicContact CD1-CD2 4.34Å; F415-L422 HydrophobicContact CG-CD1 4.37Å; F415-M438 HydrophobicContact CB-CE 3.87Å; F415-M438 HydrophobicContact CB-SD 3.49Å; F415-M438 WeakPolarHBondContact CB-SD 3.36Å; F415-M438 HydrophobicContact CD2-SD 3.78Å; F415-M438 HydrophobicContact CG-SD 3.86Å
416L89.9Confident88.2Confident4 Ų435.8 Ų35.82%0.02117%0.173CC..Hα-helixtrans-63.6-38.5176.4-73.4174.8000112.8I412 L413 N418 L419 M438 L439 A442 I450 L453 C454I412-L416 HydrophobicContact CG2-CD1 3.97Å; I412-L416 HydrophobicContact CG2-CG 4.31Å; I412-L416 WeakPolarHBondContact O-CB 3.48Å; I412-L416 VanDerWaalsContact O-CG 3.28Å; I412-L416 WeakPolarHBondContact O-CG 3.45Å; I412-L416 PolarHBondContact O-N 3.36Å; L413-L416 PolarHBondContact O-N 3.28Å; L416-N418 PolarHBondContact O-N 2.87Å; L416-L419 HydrophobicContact CD2-CD2 4.16Å; L416-L419 WeakPolarHBondContact O-CB 3.46Å; L416-L419 PolarHBondContact O-N 3.26Å; L416-M438 HydrophobicContact CD2-CE 4.39Å; L416-L439 HydrophobicContact CD2-CD2 3.51Å; L416-A442 HydrophobicContact CD1-CB 3.92Å; L416-A442 HydrophobicContact CD2-CB 4.47Å; L416-I450 HydrophobicContact CD1-CB 4.45Å; L416-I450 HydrophobicContact CD1-CG2 3.74Å; L416-L453 HydrophobicContact CB-CD2 3.61Å; L416-L453 HydrophobicContact CB-CG 4.05Å; L416-C454 HydrophobicContact CD1-CB 4.26Å; L416-C454 HydrophobicContact CD2-CB 4.2Å
417Q90Very high88.2Confident40 Ų4031 Ų3119%0.18716%0.156CC..Hα-helixtrans-63.1-31.7175.4-74.6176.3-3.800112.4L413 I414 F415 L453L413-Q417 VanDerWaalsContact O-CG 3.3Å; L413-Q417 WeakPolarHBondContact O-CG 3.49Å; L413-Q417 PolarHBondContact O-N 3.43Å; I414-Q417 PolarHBondContact O-N 3.42Å; F415-Q417 PolarHBondContact O-N 2.72Å; Q417-L453 HydrophobicContact CG-CD2 3.75Å
418N89.3Confident88.1Confident28 Ų2832.4 Ų32.415%0.1517%0.166CC..THydrogen-bonded Turntrans-108.519.5-176.2-63.5-80.4000112.9L380 I414 F415 L416 H420 I421 L422L380-N418 HydrophobicContact CD1-CB 3.87Å; L380-N418 HydrophobicContact CD2-CB 4.37Å; I414-N418 PolarHBondContact O-N 2.87Å; I414-N418 PolarHBondContact O-ND2 3.1Å; F415-N418 CarbonylContact O-C 3.39Å; F415-N418 PolarHBondContact O-N 3.03Å; L416-N418 PolarHBondContact O-N 2.87Å; N418-H420 PolarHBondContact O-N 3.19Å; N418-H420 VanDerWaalsContact O-N 3.08Å; N418-I421 HydrophobicContact CB-CD1 4.29Å; N418-I421 WeakPolarHBondContact O-CB 3.45Å; N418-I421 PolarHBondContact O-N 3.28Å; N418-L422 PolarHBondContact O-N 3.01Å
419L87.7Confident87.9Confident4 Ų440.3 Ų40.32%0.02120%0.2CC..Hα-helixtrans-62.7-21.7-172.1-16962000113.5F415 L416 L422 S423 V435 M438 L439 S457 I461F415-L419 WeakPolarHBondContact O-CA 3.45Å; F415-L419 PolarHBondContact O-N 3.34Å; L416-L419 HydrophobicContact CD2-CD2 4.16Å; L416-L419 WeakPolarHBondContact O-CB 3.46Å; L416-L419 PolarHBondContact O-N 3.26Å; L419-L422 HydrophobicContact CD1-CB 4.29Å; L419-L422 HydrophobicContact CD1-CD1 3.87Å; L419-L422 PolarHBondContact O-N 3.29Å; L419-S423 PolarHBondContact O-N 2.99Å; L419-S423 PolarHBondContact O-OG 2.69Å; L419-V435 HydrophobicContact CD1-CG1 3.68Å; L419-M438 HydrophobicContact CD1-CE 4.18Å; L419-L439 HydrophobicContact CD1-CD2 4.16Å; L419-L439 HydrophobicContact CD2-CD2 3.65Å; L419-S457 WeakPolarHBondContact CD2-OG 3.47Å; L419-I461 HydrophobicContact CD1-CD1 4.32Å; L419-I461 HydrophobicContact CD2-CD1 3.2Å; L419-I461 HydrophobicContact CG-CD1 3.44Å; L419-I461 VanDerWaalsContact CG-CD1 3.44Å
420H85.9Confident87.8Confident118 Ų11840.5 Ų40.555%0.54620%0.2SC..Hα-helixtrans-60.9-46.3170.664.3-81.8000112.1N418 L422 S423 E424N418-H420 PolarHBondContact O-N 3.19Å; N418-H420 VanDerWaalsContact O-N 3.08Å; H420-L422 VanDerWaalsContact C-N 3.32Å; H420-L422 PolarHBondContact O-N 3.08Å; H420-S423 WeakPolarHBondContact CA-OG 3.45Å; H420-S423 PolarHBondContact O-N 3.38Å; H420-S423 PolarHBondContact O-OG 3.02Å; H420-E424 PolarHBondContact O-N 3.37Å
421I86.3Confident87.7Confident9 Ų940.2 Ų40.25%0.04620%0.198CC..Hα-helixtrans-63-42.4176.4-46.6-178.3000109.8L383 N418 S423 E424 K425L383-I421 HydrophobicContact CB-CG2 4.31Å; L383-I421 HydrophobicContact CD2-CG2 3.87Å; L383-I421 HydrophobicContact CG-CG2 3.78Å; N418-I421 HydrophobicContact CB-CD1 4.29Å; N418-I421 WeakPolarHBondContact O-CB 3.45Å; N418-I421 PolarHBondContact O-N 3.28Å; I421-S423 VanDerWaalsContact C-N 3.34Å; I421-S423 PolarHBondContact O-N 3.46Å; I421-E424 PolarHBondContact O-N 2.83Å; I421-K425 HydrophobicContact CG2-CG 4.15Å; I421-K425 WeakPolarHBondContact O-CG 3.47Å; I421-K425 PolarHBondContact O-N 2.89Å
422L86.1Confident87.3Confident3 Ų346.9 Ų46.92%0.01622%0.223CC..Hα-helixtrans-61.7-41.7176.6-56.6179000111.5L380 L383 F415 N418 L419 H420 E424 F426L380-L422 HydrophobicContact CD2-CD2 4.07Å; L383-L422 HydrophobicContact CD2-CD2 3.96Å; F415-L422 HydrophobicContact CB-CD1 4.04Å; F415-L422 HydrophobicContact CD1-CD1 3.95Å; F415-L422 HydrophobicContact CD1-CD2 4.34Å; F415-L422 HydrophobicContact CG-CD1 4.37Å; N418-L422 PolarHBondContact O-N 3.01Å; L419-L422 HydrophobicContact CD1-CB 4.29Å; L419-L422 HydrophobicContact CD1-CD1 3.87Å; L419-L422 PolarHBondContact O-N 3.29Å; H420-L422 VanDerWaalsContact C-N 3.32Å; H420-L422 PolarHBondContact O-N 3.08Å; L422-E424 VanDerWaalsContact C-N 3.34Å; L422-E424 PolarHBondContact O-N 2.93Å; L422-F426 HydrophobicContact CB-CD2 4.29Å; L422-F426 HydrophobicContact CB-CE2 4.36Å; L422-F426 HydrophobicContact CD2-CD2 4.37Å; L422-F426 HydrophobicContact CD2-CE2 3.67Å; L422-F426 HydrophobicContact CD2-CZ 4.44Å; L422-F426 VanDerWaalsContact O-CB 3.31Å; L422-F426 WeakPolarHBondContact O-CB 3.31Å; L422-F426 VanDerWaalsContact O-CD2 3.22Å; L422-F426 WeakPolarHBondContact O-CD2 3.32Å; L422-F426 PolarHBondContact O-N 3.31Å; L422-F426 VanDerWaalsContact O-N 3.07Å
423S84.3Confident87Confident54 Ų5450.9 Ų50.938%0.37825%0.245SC..Hα-helixtrans-69.3-27.1177.864.80000114.3L419 H420 I421L419-S423 PolarHBondContact O-N 2.99Å; L419-S423 PolarHBondContact O-OG 2.69Å; H420-S423 WeakPolarHBondContact CA-OG 3.45Å; H420-S423 PolarHBondContact O-N 3.38Å; H420-S423 PolarHBondContact O-OG 3.02Å; I421-S423 VanDerWaalsContact C-N 3.34Å; I421-S423 PolarHBondContact O-N 3.46Å
424E86.4Confident86.8Confident119 Ų11953.3 Ų53.356%0.55625%0.253SS*.Hα-helixtrans-79-46.2175.2-170.6-164.1121.300111.7H420 I421 L422H420-E424 PolarHBondContact O-N 3.37Å; I421-E424 PolarHBondContact O-N 2.83Å; L422-E424 VanDerWaalsContact C-N 3.34Å; L422-E424 PolarHBondContact O-N 2.93Å
425K86.9Confident86.7Confident18 Ų1853.1 Ų53.18%0.07825%0.252CS..Hα-helixtrans-85.9-25.9-170.7-54.8-55.5-174.3-172.60114.2L383 D384 V386 Q388 F391 I421L383-K425 HydrophobicContact CD1-CB 3.95Å; L383-K425 HydrophobicContact CD1-CG 3.88Å; L383-K425 HydrophobicContact CG-CB 4.37Å; L383-K425 HydrophobicContact CG-CG 3.96Å; L383-K425 WeakPolarHBondContact O-CE 3.27Å; D384-K425 PolarHBondContact O-NZ 3.47Å; V386-K425 WeakPolarHBondContact O-CE 3.18Å; V386-K425 PolarHBondContact O-NZ 2.72Å; Q388-K425 WeakPolarHBondContact CG-O 3.44Å; Q388-K425 PolarHBondContact NE2-O 3.14Å; F391-K425 HydrophobicContact CD1-CB 4.27Å; F391-K425 HydrophobicContact CG-CB 4.48Å; I421-K425 HydrophobicContact CG2-CG 4.15Å; I421-K425 WeakPolarHBondContact O-CG 3.47Å; I421-K425 PolarHBondContact O-N 2.89Å
426F87.6Confident86.4Confident9 Ų953.5 Ų53.54%0.03926%0.255CS..SBendtrans-82.9129179.6-79.7-116.3000112.2F391 L396 M403 L422 E430 F431 V435F391-F426 HydrophobicContact CE1-CD1 4.28Å; F391-F426 AromaticContact CE1-CD2 3.65Å; F391-F426 HydrophobicContact CE1-CD2 3.65Å; F391-F426 HydrophobicContact CE1-CE1 4.26Å; F391-F426 AromaticContact CE1-CE2 3.63Å; F391-F426 HydrophobicContact CE1-CE2 3.63Å; F391-F426 AromaticContact CE1-CG 3.99Å; F391-F426 HydrophobicContact CE1-CG 3.99Å; F391-F426 AromaticContact CE1-CZ 3.96Å; F391-F426 HydrophobicContact CE1-CZ 3.96Å; F391-F426 HydrophobicContact CE2-CE2 4.24Å; F391-F426 AromaticContact CZ-CD2 3.83Å; F391-F426 HydrophobicContact CZ-CD2 3.83Å; F391-F426 HydrophobicContact CZ-CE1 4.08Å; F391-F426 AromaticContact CZ-CE2 3.28Å; F391-F426 HydrophobicContact CZ-CE2 3.28Å; F391-F426 HydrophobicContact CZ-CG 4.44Å; F391-F426 AromaticContact CZ-CZ 3.44Å; F391-F426 HydrophobicContact CZ-CZ 3.44Å; F391-F426 VanDerWaalsContact CZ-CZ 3.44Å; L396-F426 HydrophobicContact CD1-CE1 3.74Å; L396-F426 HydrophobicContact CD1-CZ 4.1Å; M403-F426 HydrophobicContact CE-CE1 3.87Å; M403-F426 HydrophobicContact CE-CZ 3.69Å; M403-F426 HydrophobicContact SD-CE1 3.91Å; M403-F426 HydrophobicContact SD-CZ 3.57Å; M403-F426 VanDerWaalsContact SD-CZ 3.57Å; L422-F426 HydrophobicContact CB-CD2 4.29Å; L422-F426 HydrophobicContact CB-CE2 4.36Å; L422-F426 HydrophobicContact CD2-CD2 4.37Å; L422-F426 HydrophobicContact CD2-CE2 3.67Å; L422-F426 HydrophobicContact CD2-CZ 4.44Å; L422-F426 VanDerWaalsContact O-CB 3.31Å; L422-F426 WeakPolarHBondContact O-CB 3.31Å; L422-F426 VanDerWaalsContact O-CD2 3.22Å; L422-F426 WeakPolarHBondContact O-CD2 3.32Å; L422-F426 PolarHBondContact O-N 3.31Å; L422-F426 VanDerWaalsContact O-N 3.07Å; F426-E430 HydrophobicContact CD1-CB 3.99Å; F426-F431 HydrophobicContact CB-CB 4.12Å; F426-F431 HydrophobicContact CB-CD2 4.13Å; F426-V435 HydrophobicContact CD1-CG2 3.87Å; F426-V435 HydrophobicContact CD2-CG2 4.48Å; F426-V435 HydrophobicContact CE1-CG2 3.96Å; F426-V435 HydrophobicContact CG-CG2 4.14Å; F426-V435 HydrophobicContact CZ-CG2 4.3Å
427P85.3Confident86.2Confident33 Ų3356.2 Ų56.221%0.21427%0.272CS..  trans-60.7149.2164.5-2132.3000111.4Q388 I392 K429 E430 F431Q388-P427 HydrophobicContact CG-CG 4.14Å; I392-P427 HydrophobicContact CD1-CG 3.51Å; I392-P427 HydrophobicContact CG1-CG 4.16Å; P427-K429 PolarHBondContact O-N 2.76Å; P427-E430 PolarHBondContact O-N 3.1Å; P427-F431 PolarHBondContact O-N 2.92Å
428I82.9Confident86.1Confident139 Ų13954.5 Ų54.571%0.71326%0.264SS*.Hα-helixtrans-49.1-38.4-177.5-59.8169.7000112.8R432I428-R432 WeakPolarHBondContact O-CB 3.48Å; I428-R432 PolarHBondContact O-N 3.41Å
429K84.8Confident86.1Confident168 Ų16853.1 Ų53.173%0.7326%0.257SS*.Hα-helixtrans-62.7-50.7177.2-66.2-176.7179.3179.80112.3P427 R432 N433P427-K429 PolarHBondContact O-N 2.76Å; K429-R432 PolarHBondContact O-N 3.01Å; K429-N433 PolarHBondContact O-N 3.29Å; K429-N433 VanDerWaalsContact O-N 3.1Å; K429-N433 PolarHBondContact O-ND2 2.84Å
430E85.5Confident86.1Confident51 Ų5154.5 Ų54.524%0.23826%0.263CS..Hα-helixtrans-74-31.4-178.7-54.5-63.9-159.900112L396 F426 P427 R432 N433 Y434L396-E430 HydrophobicContact CD2-CB 4.41Å; L396-E430 HydrophobicContact CD2-CG 3.98Å; F426-E430 HydrophobicContact CD1-CB 3.99Å; P427-E430 PolarHBondContact O-N 3.1Å; E430-R432 VanDerWaalsContact C-N 3.33Å; E430-R432 PolarHBondContact O-N 2.82Å; E430-N433 PolarHBondContact O-N 3.02Å; E430-N433 PolarHBondContact OE2-ND2 3.26Å; E430-Y434 HydrophobicContact CB-CD2 4.22Å; E430-Y434 HydrophobicContact CB-CE2 4.45Å; E430-Y434 WeakPolarHBondContact O-CD2 3.3Å; E430-Y434 PolarHBondContact O-N 3.2Å; E430-Y434 VanDerWaalsContact OE2-CE2 3.24Å; E430-Y434 WeakPolarHBondContact OE2-CE2 3.46Å
431F85.6Confident86.2Confident23 Ų2350.6 Ų50.610%0.10125%0.246CC..Iπ-helixtrans-58.2-46.3170.6-166.9-78.8000111.1F426 P427 N433 V435 L436 L439 I461 M465F426-F431 HydrophobicContact CB-CB 4.12Å; F426-F431 HydrophobicContact CB-CD2 4.13Å; P427-F431 PolarHBondContact O-N 2.92Å; F431-N433 VanDerWaalsContact C-N 3.35Å; F431-N433 PolarHBondContact O-N 2.94Å; F431-V435 HydrophobicContact CD1-CB 4.17Å; F431-V435 HydrophobicContact CD2-CB 3.88Å; F431-V435 HydrophobicContact CD2-CG1 4.17Å; F431-V435 HydrophobicContact CD2-CG2 3.77Å; F431-V435 HydrophobicContact CE1-CB 4.05Å; F431-V435 HydrophobicContact CE1-CG1 4.04Å; F431-V435 HydrophobicContact CE2-CB 3.78Å; F431-V435 HydrophobicContact CE2-CG1 3.54Å; F431-V435 HydrophobicContact CE2-CG2 3.94Å; F431-V435 HydrophobicContact CG-CB 4.06Å; F431-V435 HydrophobicContact CG-CG2 4.21Å; F431-V435 HydrophobicContact CZ-CB 3.83Å; F431-V435 HydrophobicContact CZ-CG1 3.42Å; F431-V435 VanDerWaalsContact CZ-CG1 3.42Å; F431-V435 WeakPolarHBondContact O-CB 3.48Å; F431-V435 PolarHBondContact O-N 2.97Å; F431-L436 PolarHBondContact O-N 3.45Å; F431-L439 HydrophobicContact CZ-CD1 4.4Å; F431-I461 HydrophobicContact CE1-CG2 3.9Å; F431-I461 HydrophobicContact CE2-CG2 4.34Å; F431-I461 HydrophobicContact CZ-CG2 3.51Å; F431-M465 HydrophobicContact CE1-CE 4.22Å
432R83.3Confident86.3Confident141 Ų14150.1 Ų50.153%0.53224%0.244SC..Iπ-helixtrans-65.2-34.4175.6179176.4173.6154.5-0.2113I428 K429 E430 L436 D466I428-R432 WeakPolarHBondContact O-CB 3.48Å; I428-R432 PolarHBondContact O-N 3.41Å; K429-R432 PolarHBondContact O-N 3.01Å; E430-R432 VanDerWaalsContact C-N 3.33Å; E430-R432 PolarHBondContact O-N 2.82Å; R432-L436 HydrophobicContact CG-CD2 4.19Å; R432-D466 IonicContact NH1-OD2 3.62Å
433N86.3Confident86.5Confident87 Ų8750.2 Ų50.247%0.46524%0.244SC..Iπ-helixtrans-79.1-35.8-177.2-67.6-18.6000113.5K429 E430 F431 P437K429-N433 PolarHBondContact O-N 3.29Å; K429-N433 VanDerWaalsContact O-N 3.1Å; K429-N433 PolarHBondContact O-ND2 2.84Å; E430-N433 PolarHBondContact O-N 3.02Å; E430-N433 PolarHBondContact OE2-ND2 3.26Å; F431-N433 VanDerWaalsContact C-N 3.35Å; F431-N433 PolarHBondContact O-N 2.94Å; N433-P437 WeakPolarHBondContact O-CG 3.43Å
434Y86.3Confident86.6Confident64 Ų6451.6 Ų51.625%0.25125%0.248SC..Iπ-helixtrans-121.2-45.1-170.4-54.9-59.8000114.2L396 I400 E430 M438L396-Y434 HydrophobicContact CD1-CD2 4.4Å; I400-Y434 HydrophobicContact CB-CE1 4.36Å; I400-Y434 HydrophobicContact CD1-CD2 4.49Å; I400-Y434 HydrophobicContact CD1-CE1 4.27Å; I400-Y434 HydrophobicContact CD1-CE2 3.7Å; I400-Y434 HydrophobicContact CG1-CD1 4.22Å; I400-Y434 HydrophobicContact CG1-CD2 4.05Å; I400-Y434 HydrophobicContact CG1-CE1 3.92Å; I400-Y434 HydrophobicContact CG1-CE2 3.72Å; I400-Y434 HydrophobicContact CG1-CG 4.29Å; I400-Y434 HydrophobicContact CG2-CD1 4.08Å; I400-Y434 HydrophobicContact CG2-CE1 3.57Å; E430-Y434 HydrophobicContact CB-CD2 4.22Å; E430-Y434 HydrophobicContact CB-CE2 4.45Å; E430-Y434 WeakPolarHBondContact O-CD2 3.3Å; E430-Y434 PolarHBondContact O-N 3.2Å; E430-Y434 VanDerWaalsContact OE2-CE2 3.24Å; E430-Y434 WeakPolarHBondContact OE2-CE2 3.46Å; Y434-M438 PolarHBondContact O-N 3.42Å
435V88Confident86.7Confident0 Ų047.4 Ų47.40%023%0.229CC..Iπ-helixtrans-73.9-42.6-178.4-172.60000110.8M403 L419 F426 F431 M438 L439M403-V435 HydrophobicContact CE-CB 4.42Å; M403-V435 HydrophobicContact CE-CG2 3.65Å; L419-V435 HydrophobicContact CD1-CG1 3.68Å; F426-V435 HydrophobicContact CD1-CG2 3.87Å; F426-V435 HydrophobicContact CD2-CG2 4.48Å; F426-V435 HydrophobicContact CE1-CG2 3.96Å; F426-V435 HydrophobicContact CG-CG2 4.14Å; F426-V435 HydrophobicContact CZ-CG2 4.3Å; F431-V435 HydrophobicContact CD1-CB 4.17Å; F431-V435 HydrophobicContact CD2-CB 3.88Å; F431-V435 HydrophobicContact CD2-CG1 4.17Å; F431-V435 HydrophobicContact CD2-CG2 3.77Å; F431-V435 HydrophobicContact CE1-CB 4.05Å; F431-V435 HydrophobicContact CE1-CG1 4.04Å; F431-V435 HydrophobicContact CE2-CB 3.78Å; F431-V435 HydrophobicContact CE2-CG1 3.54Å; F431-V435 HydrophobicContact CE2-CG2 3.94Å; F431-V435 HydrophobicContact CG-CB 4.06Å; F431-V435 HydrophobicContact CG-CG2 4.21Å; F431-V435 HydrophobicContact CZ-CB 3.83Å; F431-V435 HydrophobicContact CZ-CG1 3.42Å; F431-V435 VanDerWaalsContact CZ-CG1 3.42Å; F431-V435 WeakPolarHBondContact O-CB 3.48Å; F431-V435 PolarHBondContact O-N 2.97Å; V435-M438 HydrophobicContact CG1-CE 4.25Å; V435-M438 WeakPolarHBondContact O-CB 3.45Å; V435-M438 PolarHBondContact O-N 2.99Å; V435-L439 HydrophobicContact CG1-CD1 4.26Å; V435-L439 HydrophobicContact CG1-CG 4.32Å; V435-L439 WeakPolarHBondContact O-CG 3.46Å; V435-L439 PolarHBondContact O-N 3.04Å
436L85.5Confident86.6Confident12 Ų1253.6 Ų53.66%0.06326%0.263CS..Hα-helixtrans-61.5-46.3-178.9172.472000113.4F431 R432 M438 L439 Q440 M465 V469 L474F431-L436 PolarHBondContact O-N 3.45Å; R432-L436 HydrophobicContact CG-CD2 4.19Å; L436-M438 VanDerWaalsContact C-N 3.29Å; L436-M438 PolarHBondContact O-N 3.23Å; L436-L439 PolarHBondContact O-N 3.42Å; L436-Q440 HydrophobicContact CD1-CG 4.47Å; L436-Q440 WeakPolarHBondContact O-CG 3.49Å; L436-Q440 PolarHBondContact O-N 2.89Å; L436-M465 HydrophobicContact CD1-SD 4.47Å; L436-V469 HydrophobicContact CD1-CG1 3.47Å; L436-V469 VanDerWaalsContact CD1-CG1 3.47Å; L436-V469 HydrophobicContact CD2-CB 4.42Å; L436-V469 HydrophobicContact CD2-CG1 3.42Å; L436-V469 VanDerWaalsContact CD2-CG1 3.42Å; L436-V469 HydrophobicContact CD2-CG2 4.1Å; L436-V469 HydrophobicContact CG-CG1 4.06Å; L436-L474 HydrophobicContact CD1-CD1 4.35Å; L436-L474 HydrophobicContact CD1-CD2 4.48Å; L436-L474 HydrophobicContact CD1-CG 4.5Å
437P87.1Confident86.6Confident60 Ų6055.6 Ų55.639%0.3927%0.273SS..Hα-helixtrans-60.3-35.2172.6-28.137.9000113.7N433 Q440 L441N433-P437 WeakPolarHBondContact O-CG 3.43Å; P437-Q440 PolarHBondContact O-N 2.78Å; P437-L441 WeakPolarHBondContact O-CB 3.31Å; P437-L441 PolarHBondContact O-N 3.47Å
438M87.6Confident86.8Confident4 Ų458 Ų582%0.0228%0.28CS..Hα-helixtrans-64.4-40.8174.2-174.9-159.275.700111.8F415 L416 L419 Y434 V435 L436 L441 A442F415-M438 HydrophobicContact CB-CE 3.87Å; F415-M438 HydrophobicContact CB-SD 3.49Å; F415-M438 WeakPolarHBondContact CB-SD 3.36Å; F415-M438 HydrophobicContact CD2-SD 3.78Å; F415-M438 HydrophobicContact CG-SD 3.86Å; L416-M438 HydrophobicContact CD2-CE 4.39Å; L419-M438 HydrophobicContact CD1-CE 4.18Å; Y434-M438 PolarHBondContact O-N 3.42Å; V435-M438 HydrophobicContact CG1-CE 4.25Å; V435-M438 WeakPolarHBondContact O-CB 3.45Å; V435-M438 PolarHBondContact O-N 2.99Å; L436-M438 VanDerWaalsContact C-N 3.29Å; L436-M438 PolarHBondContact O-N 3.23Å; M438-L441 PolarHBondContact O-N 2.88Å; M438-A442 WeakPolarHBondContact O-CB 3.33Å; M438-A442 PolarHBondContact O-N 2.74Å
439L88.5Confident87.1Confident0 Ų055.5 Ų55.50%027%0.267CS..Hα-helixtrans-66.8-39.4174.4-63.9175.7000112.3L416 L419 F431 V435 L436 A442 L443 L458 M465L416-L439 HydrophobicContact CD2-CD2 3.51Å; L419-L439 HydrophobicContact CD1-CD2 4.16Å; L419-L439 HydrophobicContact CD2-CD2 3.65Å; F431-L439 HydrophobicContact CZ-CD1 4.4Å; V435-L439 HydrophobicContact CG1-CD1 4.26Å; V435-L439 HydrophobicContact CG1-CG 4.32Å; V435-L439 WeakPolarHBondContact O-CG 3.46Å; V435-L439 PolarHBondContact O-N 3.04Å; L436-L439 PolarHBondContact O-N 3.42Å; L439-A442 PolarHBondContact O-N 3.07Å; L439-L443 PolarHBondContact O-N 3.33Å; L439-L458 HydrophobicContact CD1-CD2 4.17Å; L439-M465 HydrophobicContact CD1-CE 3.91Å
440Q87.6Confident87.3Confident33 Ų3347.5 Ų47.515%0.15423%0.232CC..Hα-helixtrans-62.6-43174.7-72.317415.800111.6L436 P437 L443 D444 S473 L474 R477L436-Q440 HydrophobicContact CD1-CG 4.47Å; L436-Q440 WeakPolarHBondContact O-CG 3.49Å; L436-Q440 PolarHBondContact O-N 2.89Å; P437-Q440 PolarHBondContact O-N 2.78Å; Q440-L443 PolarHBondContact O-N 3.32Å; Q440-D444 PolarHBondContact O-N 3Å; Q440-S473 VanDerWaalsContact NE2-CB 3.31Å; Q440-L474 HydrophobicContact CG-CD2 4.27Å; Q440-R477 PolarHBondContact O-NH1 3.08Å
441L88.1Confident87.5Confident35 Ų3545.4 Ų45.418%0.18322%0.223CC..Hα-helixtrans-63.5-42.3174.7177.165.7000111.8K406 I412 P437 M438 L443 D444 I445K406-L441 HydrophobicContact CD-CD1 4.22Å; K406-L441 HydrophobicContact CD-CD2 4.48Å; K406-L441 HydrophobicContact CG-CD2 3.95Å; I412-L441 HydrophobicContact CD1-CD2 3.66Å; I412-L441 HydrophobicContact CD1-CG 4.16Å; P437-L441 WeakPolarHBondContact O-CB 3.31Å; P437-L441 PolarHBondContact O-N 3.47Å; M438-L441 PolarHBondContact O-N 2.88Å; L441-L443 PolarHBondContact O-N 2.81Å; L441-D444 PolarHBondContact O-N 2.81Å; L441-I445 HydrophobicContact CD1-CD1 4.2Å; L441-I445 HydrophobicContact CD1-CG1 4.18Å; L441-I445 HydrophobicContact CD2-CD1 4.44Å; L441-I445 HydrophobicContact CG-CD1 3.85Å; L441-I445 HydrophobicContact CG-CG1 4.3Å; L441-I445 WeakPolarHBondContact O-CG1 3.44Å; L441-I445 PolarHBondContact O-N 3.03Å
442A89.2Confident87.8Confident0 Ų045.8 Ų45.80%022%0.224CC..Hα-helixtrans-59.7-30177.800000113.8I412 L416 M438 L439 I450 C454I412-A442 HydrophobicContact CG2-CB 3.97Å; L416-A442 HydrophobicContact CD1-CB 3.92Å; L416-A442 HydrophobicContact CD2-CB 4.47Å; M438-A442 WeakPolarHBondContact O-CB 3.33Å; M438-A442 PolarHBondContact O-N 2.74Å; L439-A442 PolarHBondContact O-N 3.07Å; A442-I450 HydrophobicContact CB-CG2 3.71Å; A442-I450 WeakPolarHBondContact O-CG2 3.36Å; A442-C454 HydrophobicContact CB-CB 4.19Å
443L89.1Confident88.1Confident5 Ų541.3 Ų41.33%0.02621%0.211CC..Hα-helixtrans-78.5-25.8174.5-66.9175.1000113.5L439 Q440 L441 C454 L455 L458 L474 R477 I478 L481L439-L443 PolarHBondContact O-N 3.33Å; Q440-L443 PolarHBondContact O-N 3.32Å; L441-L443 PolarHBondContact O-N 2.81Å; L443-C454 HydrophobicContact CD2-CB 4.23Å; L443-L455 HydrophobicContact CD2-CD2 3.93Å; L443-L455 HydrophobicContact CD2-CG 4.1Å; L443-L458 HydrophobicContact CD1-CD1 4.18Å; L443-L458 HydrophobicContact CD2-CD1 4.37Å; L443-L474 HydrophobicContact CD1-CD2 4.09Å; L443-R477 HydrophobicContact CB-CB 4.4Å; L443-R477 HydrophobicContact CD1-CB 4.11Å; L443-I478 HydrophobicContact CD1-CG1 4.03Å; L443-L481 HydrophobicContact CD2-CD2 4.17Å
444D88Confident88.3Confident83 Ų8337.1 Ų37.144%0.44419%0.189SC..Hα-helixtrans-87.5-23.9-179.8-76.77.8000113.1Q440 L441 R477Q440-D444 PolarHBondContact O-N 3Å; L441-D444 PolarHBondContact O-N 2.81Å; D444-R477 IonicContact OD1-CZ 3.57Å; D444-R477 IonicContact OD1-NH1 3.88Å; D444-R477 PolarHBondContact OD1-NH1 3.15Å; D444-R477 IonicContact OD2-CZ 3.04Å; D444-R477 IonicContact OD2-NH1 2.79Å; D444-R477 PolarHBondContact OD2-NH1 3.17Å; D444-R477 IonicContact OD2-NH2 3.43Å
445I87Confident88.5Confident31 Ų3134.2 Ų34.216%0.15918%0.177CC..SBendtrans-68.1131.6178.4-71.4165.6000109.7I412 L441 N447 Q451I412-I445 HydrophobicContact CD1-CD1 3.35Å; L441-I445 HydrophobicContact CD1-CD1 4.2Å; L441-I445 HydrophobicContact CD1-CG1 4.18Å; L441-I445 HydrophobicContact CD2-CD1 4.44Å; L441-I445 HydrophobicContact CG-CD1 3.85Å; L441-I445 HydrophobicContact CG-CG1 4.3Å; L441-I445 WeakPolarHBondContact O-CG1 3.44Å; L441-I445 PolarHBondContact O-N 3.03Å; I445-N447 HydrophobicContact CG2-CB 3.75Å; I445-N447 PolarHBondContact O-N 2.94Å; I445-Q451 PolarHBondContact O-NE2 2.95Å
446D86.3Confident88.5Confident148 Ų14839.1 Ų39.179%0.79120%0.199SC*.SBendtrans-76.467.3174.9-166.419.4000111.9
447N87.5Confident88.5Confident50 Ų5039.6 Ų39.627%0.26720%0.203SC..  trans-140.2107.4176-174.5-60.2000109.8I445 M449 I450 Q451I445-N447 HydrophobicContact CG2-CB 3.75Å; I445-N447 PolarHBondContact O-N 2.94Å; N447-M449 VanDerWaalsContact C-N 3.26Å; N447-M449 PolarHBondContact O-N 3.05Å; N447-M449 WeakPolarHBondContact OD1-CB 3.42Å; N447-M449 PolarHBondContact OD1-N 2.95Å; N447-I450 HydrophobicContact CB-CB 4.23Å; N447-I450 HydrophobicContact CB-CD1 4.41Å; N447-I450 HydrophobicContact CB-CG1 4.48Å; N447-I450 PolarHBondContact O-N 3.09Å; N447-I450 VanDerWaalsContact O-N 3.14Å; N447-I450 PolarHBondContact OD1-N 2.79Å; N447-Q451 WeakPolarHBondContact O-CG 3.21Å; N447-Q451 PolarHBondContact O-N 2.8Å
448K89.1Confident88.5Confident83 Ų8336.9 Ų36.936%0.36119%0.185SC..Hα-helixtrans-47.7-44.9-180179.9-178.8179.4175.50113.5E452 Y487 S489K448-E452 WeakPolarHBondContact CE-OE1 3.39Å; K448-E452 HydrophobicContact CG-CG 4.42Å; K448-E452 IonicContact NZ-OE1 2.71Å; K448-E452 WeakPolarHBondContact O-CB 3.44Å; K448-E452 WeakPolarHBondContact O-CG 3.46Å; K448-E452 PolarHBondContact O-N 2.91Å; K448-Y487 HydrophobicContact CB-CD2 4.44Å; K448-Y487 HydrophobicContact CB-CE2 4.45Å; K448-Y487 HydrophobicContact CD-CD1 4.19Å; K448-Y487 HydrophobicContact CD-CD2 4.34Å; K448-Y487 HydrophobicContact CD-CG 4.1Å; K448-Y487 HydrophobicContact CG-CD2 4.46Å; K448-S489 WeakPolarHBondContact CE-OG 3.44Å; K448-S489 PolarHBondContact NZ-OG 3.14Å
449M87.7Confident88.4Confident87 Ų8737.4 Ų37.443%0.42919%0.189SC..Hα-helixtrans-67.3-40.8-175.4-173-177.3-175.100111.8L413 N447 L453L413-M449 HydrophobicContact CD1-CE 4.15Å; L413-M449 HydrophobicContact CD1-CG 4.17Å; L413-M449 HydrophobicContact CD1-SD 4.11Å; L413-M449 HydrophobicContact CD2-CE 4.23Å; L413-M449 HydrophobicContact CD2-SD 4Å; N447-M449 VanDerWaalsContact C-N 3.26Å; N447-M449 PolarHBondContact O-N 3.05Å; N447-M449 WeakPolarHBondContact OD1-CB 3.42Å; N447-M449 PolarHBondContact OD1-N 2.95Å; M449-L453 VanDerWaalsContact O-CB 3.22Å; M449-L453 WeakPolarHBondContact O-CB 3.16Å; M449-L453 PolarHBondContact O-N 3.34Å
450I89.5Confident88.1Confident1 Ų142.3 Ų42.31%0.00522%0.219CC..Hα-helixtrans-69.7-46.3177.9-73.5-178.8000110.7I409 I412 L413 L416 A442 N447 L453 C454I409-I450 HydrophobicContact CG2-CD1 3.31Å; I412-I450 HydrophobicContact CB-CD1 4.42Å; I412-I450 HydrophobicContact CG2-CD1 4.39Å; I412-I450 HydrophobicContact CG2-CG2 4.17Å; L413-I450 HydrophobicContact CB-CD1 4.39Å; L413-I450 HydrophobicContact CB-CG1 4.31Å; L413-I450 HydrophobicContact CD1-CG1 4.06Å; L416-I450 HydrophobicContact CD1-CB 4.45Å; L416-I450 HydrophobicContact CD1-CG2 3.74Å; A442-I450 HydrophobicContact CB-CG2 3.71Å; A442-I450 WeakPolarHBondContact O-CG2 3.36Å; N447-I450 HydrophobicContact CB-CB 4.23Å; N447-I450 HydrophobicContact CB-CD1 4.41Å; N447-I450 HydrophobicContact CB-CG1 4.48Å; N447-I450 PolarHBondContact O-N 3.09Å; N447-I450 VanDerWaalsContact O-N 3.14Å; N447-I450 PolarHBondContact OD1-N 2.79Å; I450-L453 PolarHBondContact O-N 3.39Å; I450-C454 VanDerWaalsContact O-CB 3.29Å; I450-C454 WeakPolarHBondContact O-CB 3.41Å; I450-C454 PolarHBondContact O-N 3.24Å
451Q91.2Very high87.6Confident7 Ų741.2 Ų41.23%0.03321%0.214CC..Hα-helixtrans-56.7-54176.6-70.9168.8-1.400111I445 N447 L453 C454 L455 L481 T490I445-Q451 PolarHBondContact O-NE2 2.95Å; N447-Q451 WeakPolarHBondContact O-CG 3.21Å; N447-Q451 PolarHBondContact O-N 2.8Å; Q451-L453 VanDerWaalsContact C-N 3.35Å; Q451-L453 PolarHBondContact O-N 3.49Å; Q451-C454 PolarHBondContact O-N 3.29Å; Q451-L455 WeakPolarHBondContact O-CB 3.39Å; Q451-L455 WeakPolarHBondContact O-CD1 3.38Å; Q451-L455 WeakPolarHBondContact O-CG 3.43Å; Q451-L455 PolarHBondContact O-N 3.23Å; Q451-L481 HydrophobicContact CB-CD2 4.15Å; Q451-L481 HydrophobicContact CG-CD1 4.23Å; Q451-L481 HydrophobicContact CG-CD2 4.11Å; Q451-T490 HydrophobicContact CB-CG2 4.39Å
452E90.3Very high87.1Confident30 Ų3039.7 Ų39.714%0.1421%0.206CC..Hα-helixtrans-62.6-38.2179.8-72.8-172.9-176.200112.8K448 K456 S489K448-E452 WeakPolarHBondContact CE-OE1 3.39Å; K448-E452 HydrophobicContact CG-CG 4.42Å; K448-E452 IonicContact NZ-OE1 2.71Å; K448-E452 WeakPolarHBondContact O-CB 3.44Å; K448-E452 WeakPolarHBondContact O-CG 3.46Å; K448-E452 PolarHBondContact O-N 2.91Å; E452-K456 WeakPolarHBondContact O-CB 3.48Å; E452-K456 VanDerWaalsContact O-CG 3.25Å; E452-K456 WeakPolarHBondContact O-CG 3.44Å; E452-K456 PolarHBondContact O-N 2.87Å; E452-S489 WeakPolarHBondContact OE1-CB 3.39Å; E452-S489 PolarHBondContact OE1-OG 3.12Å
453L89.3Confident86.4Confident47 Ų4747.1 Ų47.125%0.24624%0.239CC..Hα-helixtrans-68.2-43.5177.4-177.262.5000111.7L413 L416 Q417 M449 I450 Q451 K456 S457L413-L453 HydrophobicContact CD1-CD2 3.86Å; L416-L453 HydrophobicContact CB-CD2 3.61Å; L416-L453 HydrophobicContact CB-CG 4.05Å; Q417-L453 HydrophobicContact CG-CD2 3.75Å; M449-L453 VanDerWaalsContact O-CB 3.22Å; M449-L453 WeakPolarHBondContact O-CB 3.16Å; M449-L453 PolarHBondContact O-N 3.34Å; I450-L453 PolarHBondContact O-N 3.39Å; Q451-L453 VanDerWaalsContact C-N 3.35Å; Q451-L453 PolarHBondContact O-N 3.49Å; L453-K456 PolarHBondContact O-N 2.8Å; L453-S457 WeakPolarHBondContact O-CB 3.41Å; L453-S457 PolarHBondContact O-N 3.28Å; L453-S457 VanDerWaalsContact O-N 3.11Å; L453-S457 PolarHBondContact O-OG 3.01Å
454C90.9Very high85.5Confident0 Ų050.4 Ų50.40%027%0.267CS..Hα-helixtrans-58.8-51.2175.4-171.10000110.3L416 A442 L443 I450 Q451 K456 S457 L458L416-C454 HydrophobicContact CD1-CB 4.26Å; L416-C454 HydrophobicContact CD2-CB 4.2Å; A442-C454 HydrophobicContact CB-CB 4.19Å; L443-C454 HydrophobicContact CD2-CB 4.23Å; I450-C454 VanDerWaalsContact O-CB 3.29Å; I450-C454 WeakPolarHBondContact O-CB 3.41Å; I450-C454 PolarHBondContact O-N 3.24Å; Q451-C454 PolarHBondContact O-N 3.29Å; C454-K456 VanDerWaalsContact C-N 3.32Å; C454-K456 PolarHBondContact O-N 3.19Å; C454-S457 PolarHBondContact O-N 2.84Å; C454-S457 PolarHBondContact O-OG 3.09Å; C454-L458 WeakPolarHBondContact O-CG 2.95Å; C454-L458 PolarHBondContact O-N 3.04Å
455L91Very high84.9Confident3 Ų348 Ų482%0.01625%0.253CS..Hα-helixtrans-58.8-37.2178.7-69.2166.5000113.5L443 Q451 P459 I478 L481 T490 N493 C494 C497L443-L455 HydrophobicContact CD2-CD2 3.93Å; L443-L455 HydrophobicContact CD2-CG 4.1Å; Q451-L455 WeakPolarHBondContact O-CB 3.39Å; Q451-L455 WeakPolarHBondContact O-CD1 3.38Å; Q451-L455 WeakPolarHBondContact O-CG 3.43Å; Q451-L455 PolarHBondContact O-N 3.23Å; L455-P459 WeakPolarHBondContact O-CD 3.15Å; L455-I478 HydrophobicContact CD2-CD1 4.48Å; L455-I478 HydrophobicContact CD2-CG1 3.97Å; L455-I478 HydrophobicContact CD2-CG2 3.94Å; L455-L481 HydrophobicContact CD1-CD2 4.01Å; L455-T490 HydrophobicContact CD1-CG2 4.38Å; L455-N493 HydrophobicContact CB-CB 4.12Å; L455-N493 HydrophobicContact CD1-CB 3.97Å; L455-C494 VanDerWaalsContact CD1-SG 3.51Å; L455-C497 HydrophobicContact CB-CB 4.38Å; L455-C497 HydrophobicContact CD2-CB 4.02Å; L455-C497 PolarHBondContact O-SG 2.88Å
456K88.3Confident84.4Confident103 Ų10349.9 Ų49.945%0.44826%0.264SS..Hα-helixtrans-69.7-31.1175.3-74.1170.4-175177.80113E452 L453 C454 N493E452-K456 WeakPolarHBondContact O-CB 3.48Å; E452-K456 VanDerWaalsContact O-CG 3.25Å; E452-K456 WeakPolarHBondContact O-CG 3.44Å; E452-K456 PolarHBondContact O-N 2.87Å; L453-K456 PolarHBondContact O-N 2.8Å; C454-K456 VanDerWaalsContact C-N 3.32Å; C454-K456 PolarHBondContact O-N 3.19Å; K456-N493 WeakPolarHBondContact CE-OD1 3.47Å
457S85.2Confident83.9Confident21 Ų2145.3 Ų45.315%0.14724%0.239CC..Hα-helixtrans-88.6-28.6-176.170.30000114.5L419 L453 C454 T460L419-S457 WeakPolarHBondContact CD2-OG 3.47Å; L453-S457 WeakPolarHBondContact O-CB 3.41Å; L453-S457 PolarHBondContact O-N 3.28Å; L453-S457 VanDerWaalsContact O-N 3.11Å; L453-S457 PolarHBondContact O-OG 3.01Å; C454-S457 PolarHBondContact O-N 2.84Å; C454-S457 PolarHBondContact O-OG 3.09Å; S457-T460 PolarHBondContact O-N 2.88Å
458L87.6Confident83.5Confident3 Ų346.6 Ų46.62%0.01625%0.249CC..Hα-helixtrans-55.2-43.7-176-83.5168.4000114.7L439 L443 C454 T460 I461 G462 M465 L474 I478L439-L458 HydrophobicContact CD1-CD2 4.17Å; L443-L458 HydrophobicContact CD1-CD1 4.18Å; L443-L458 HydrophobicContact CD2-CD1 4.37Å; C454-L458 WeakPolarHBondContact O-CG 2.95Å; C454-L458 PolarHBondContact O-N 3.04Å; L458-T460 VanDerWaalsContact C-N 3.29Å; L458-T460 PolarHBondContact O-N 2.63Å; L458-I461 PolarHBondContact O-N 2.95Å; L458-I461 VanDerWaalsContact O-N 3.13Å; L458-G462 PolarHBondContact O-N 2.89Å; L458-M465 HydrophobicContact CD2-CE 4.08Å; L458-L474 HydrophobicContact CD2-CD1 4.08Å; L458-L474 HydrophobicContact CD2-CD2 4.31Å; L458-I478 HydrophobicContact CD1-CD1 4.3Å
459P85.4Confident83.1Confident16 Ų1643.4 Ų43.410%0.10424%0.236CC..Hα-helixtrans-62.4-31.4-178.6-2636000114.8L455 I461 K500L455-P459 WeakPolarHBondContact O-CD 3.15Å; P459-I461 VanDerWaalsContact C-N 3.28Å; P459-I461 PolarHBondContact O-N 2.99Å; P459-K500 HydrophobicContact CB-CB 3.67Å; P459-K500 HydrophobicContact CB-CD 4.26Å; P459-K500 HydrophobicContact CG-CB 3.79Å; P459-K500 HydrophobicContact CG-CD 4.22Å
460T81.1Confident82.8Confident102 Ų10239.4 Ų39.463%0.62622%0.216SC*.Hα-helixtrans-66.4-34.7177.3-55.80000111.4S457 L458S457-T460 PolarHBondContact O-N 2.88Å; L458-T460 VanDerWaalsContact C-N 3.29Å; L458-T460 PolarHBondContact O-N 2.63Å
461I78.8Confident82.3Confident11 Ų1145.5 Ų45.56%0.05624%0.239CC..Hα-helixtrans-93.6-26.7-174.3-56.1162.2000111.1L419 F431 L458 P459 K463 A464 M465L419-I461 HydrophobicContact CD1-CD1 4.32Å; L419-I461 HydrophobicContact CD2-CD1 3.2Å; L419-I461 HydrophobicContact CG-CD1 3.44Å; L419-I461 VanDerWaalsContact CG-CD1 3.44Å; F431-I461 HydrophobicContact CE1-CG2 3.9Å; F431-I461 HydrophobicContact CE2-CG2 4.34Å; F431-I461 HydrophobicContact CZ-CG2 3.51Å; L458-I461 PolarHBondContact O-N 2.95Å; L458-I461 VanDerWaalsContact O-N 3.13Å; P459-I461 VanDerWaalsContact C-N 3.28Å; P459-I461 PolarHBondContact O-N 2.99Å; I461-K463 PolarHBondContact O-N 3.23Å; I461-A464 PolarHBondContact O-N 3.2Å; I461-M465 HydrophobicContact CB-CE 4.02Å; I461-M465 HydrophobicContact CG2-CE 3.44Å; I461-M465 VanDerWaalsContact CG2-CE 3.44Å; I461-M465 HydrophobicContact CG2-CG 4.38Å; I461-M465 PolarHBondContact O-N 2.77Å
462G76.4Confident82Confident2 Ų250 Ų502%0.02126%0.264CS..Hα-helixtrans-51.5-32.8178.500000113.2L458 A464 M465 L504L458-G462 PolarHBondContact O-N 2.89Å; G462-A464 PolarHBondContact O-N 3.01Å; G462-M465 PolarHBondContact O-N 2.97Å; G462-L504 VanDerWaalsContact C-CD1 3.43Å
463K75.3Confident81.6Confident157 Ų15750.2 Ų50.268%0.68327%0.268SS*.THydrogen-bonded Turntrans-60.3-21.9174.8-63-171.5177.7-1730114.4I461 L504I461-K463 PolarHBondContact O-N 3.23Å; K463-L504 HydrophobicContact CG-CD1 4.44Å; K463-L504 HydrophobicContact CG-CD2 4.36Å
464A70Confident81.5Confident74 Ų7448 Ų4861%0.61226%0.257SS*.THydrogen-bonded Turntrans-104.80.6176.800000113.2I461 G462I461-A464 PolarHBondContact O-N 3.2Å; G462-A464 PolarHBondContact O-N 3.01Å
465M74.5Confident81.4Confident32 Ų3248.1 Ų48.116%0.15826%0.257CS..SBendtrans-94.4149.8178.8-61.9-164.7-167.100111.9F431 L436 L439 L458 I461 G462 L474F431-M465 HydrophobicContact CE1-CE 4.22Å; L436-M465 HydrophobicContact CD1-SD 4.47Å; L439-M465 HydrophobicContact CD1-CE 3.91Å; L458-M465 HydrophobicContact CD2-CE 4.08Å; I461-M465 HydrophobicContact CB-CE 4.02Å; I461-M465 HydrophobicContact CG2-CE 3.44Å; I461-M465 VanDerWaalsContact CG2-CE 3.44Å; I461-M465 HydrophobicContact CG2-CG 4.38Å; I461-M465 PolarHBondContact O-N 2.77Å; G462-M465 PolarHBondContact O-N 2.97Å; M465-L474 HydrophobicContact CE-CD1 4.24Å; M465-L474 HydrophobicContact SD-CD1 3.59Å; M465-L474 VanDerWaalsContact SD-CD1 3.59Å
466D76.7Confident81.3Confident71 Ų7150.1 Ų50.138%0.3827%0.27SS..  trans-69.5133168.5170.414.8000110.6R432 T468 V469 L470R432-D466 IonicContact NH1-OD2 3.62Å; D466-T468 PolarHBondContact O-N 2.83Å; D466-T468 VanDerWaalsContact O-N 3.13Å; D466-T468 WeakPolarHBondContact OD1-CB 3.47Å; D466-T468 PolarHBondContact OD1-N 3.35Å; D466-T468 PolarHBondContact OD1-OG1 2.83Å; D466-T468 WeakPolarHBondContact OD2-CB 3.43Å; D466-T468 PolarHBondContact OD2-OG1 3.38Å; D466-V469 HydrophobicContact CB-CG2 4.43Å; D466-V469 WeakPolarHBondContact O-CB 3.48Å; D466-V469 PolarHBondContact O-N 3.41Å; D466-L470 PolarHBondContact O-N 3.23Å
467L75.8Confident81.3Confident52 Ų5248 Ų4827%0.27226%0.26SS..Hα-helixtrans-49.5-37.6175.2173.162000112.2V469 L470 R471 L504 L505 D506 I509L467-V469 VanDerWaalsContact C-N 3.28Å; L467-V469 PolarHBondContact O-N 2.7Å; L467-L470 PolarHBondContact O-N 2.98Å; L467-R471 WeakPolarHBondContact O-CB 3.41Å; L467-R471 PolarHBondContact O-N 3.45Å; L467-L504 WeakPolarHBondContact CD1-O 3.19Å; L467-L505 HydrophobicContact CD1-CD2 4.12Å; L467-D506 WeakPolarHBondContact CD2-OD2 3.28Å; L467-I509 HydrophobicContact CD1-CD1 4.03Å
468T80.1Confident81.7Confident77 Ų7747 Ų4747%0.47225%0.253SS..Hα-helixtrans-60.5-38.3179.7-35.90000112D466 N472D466-T468 PolarHBondContact O-N 2.83Å; D466-T468 VanDerWaalsContact O-N 3.13Å; D466-T468 WeakPolarHBondContact OD1-CB 3.47Å; D466-T468 PolarHBondContact OD1-N 3.35Å; D466-T468 PolarHBondContact OD1-OG1 2.83Å; D466-T468 WeakPolarHBondContact OD2-CB 3.43Å; D466-T468 PolarHBondContact OD2-OG1 3.38Å; T468-N472 VanDerWaalsContact O-CB 3.3Å; T468-N472 WeakPolarHBondContact O-CB 3.48Å; T468-N472 PolarHBondContact O-N 2.91Å; T468-N472 VanDerWaalsContact O-N 3.13Å; T468-N472 PolarHBondContact O-ND2 2.71Å
469V80.2Confident81.9Confident15 Ų1548 Ų489%0.09126%0.257CS..Hα-helixtrans-72.1-45.8176.7167.90000110.6L436 D466 L467 R471 S473 L474L436-V469 HydrophobicContact CD1-CG1 3.47Å; L436-V469 VanDerWaalsContact CD1-CG1 3.47Å; L436-V469 HydrophobicContact CD2-CB 4.42Å; L436-V469 HydrophobicContact CD2-CG1 3.42Å; L436-V469 VanDerWaalsContact CD2-CG1 3.42Å; L436-V469 HydrophobicContact CD2-CG2 4.1Å; L436-V469 HydrophobicContact CG-CG1 4.06Å; D466-V469 HydrophobicContact CB-CG2 4.43Å; D466-V469 WeakPolarHBondContact O-CB 3.48Å; D466-V469 PolarHBondContact O-N 3.41Å; L467-V469 VanDerWaalsContact C-N 3.28Å; L467-V469 PolarHBondContact O-N 2.7Å; V469-R471 PolarHBondContact O-N 2.84Å; V469-S473 VanDerWaalsContact O-CB 3.3Å; V469-S473 WeakPolarHBondContact O-CB 3.33Å; V469-S473 PolarHBondContact O-N 3.42Å; V469-L474 PolarHBondContact O-N 3.45Å
470L80.2Confident82.2Confident4 Ų454.4 Ų54.42%0.02128%0.279CS..Iπ-helixtrans-58.8-49.8-179-169.860000110.8D466 L467 L474 I475 L501 L504 L505D466-L470 PolarHBondContact O-N 3.23Å; L467-L470 PolarHBondContact O-N 2.98Å; L470-L474 HydrophobicContact CD1-CB 4.22Å; L470-L474 HydrophobicContact CD1-CD1 3.9Å; L470-L474 PolarHBondContact O-N 3.25Å; L470-I475 HydrophobicContact CG-CD1 4.48Å; L470-I475 WeakPolarHBondContact O-CG1 3.35Å; L470-I475 PolarHBondContact O-N 2.86Å; L470-L501 HydrophobicContact CD1-CD1 4.07Å; L470-L501 HydrophobicContact CD1-CD2 4.14Å; L470-L501 HydrophobicContact CD2-CD2 4.34Å; L470-L504 HydrophobicContact CD2-CB 4.07Å; L470-L505 HydrophobicContact CD2-CD2 3.57Å; L470-L505 HydrophobicContact CG-CD2 4Å
471R81Confident82.6Confident129 Ų12950 Ų5049%0.48725%0.252SS..Iπ-helixtrans-60.9-54.2176.6-176-170.8178173.7-2.4113.1L467 V469 P476 I509L467-R471 WeakPolarHBondContact O-CB 3.41Å; L467-R471 PolarHBondContact O-N 3.45Å; V469-R471 PolarHBondContact O-N 2.84Å; R471-P476 VanDerWaalsContact O-CD 3.23Å; R471-P476 WeakPolarHBondContact O-CD 3.39Å; R471-I509 HydrophobicContact CB-CD1 4.17Å; R471-I509 HydrophobicContact CG-CD1 3.88Å; R471-I509 HydrophobicContact CG-CG1 4.38Å
472N83Confident83.2Confident101 Ų10149.6 Ų49.654%0.5425%0.25SC..Iπ-helixtrans-88.4-22.4-165.4-63.6-15.5000113.5T468T468-N472 VanDerWaalsContact O-CB 3.3Å; T468-N472 WeakPolarHBondContact O-CB 3.48Å; T468-N472 PolarHBondContact O-N 2.91Å; T468-N472 VanDerWaalsContact O-N 3.13Å; T468-N472 PolarHBondContact O-ND2 2.71Å
473S82.6Confident83.9Confident34 Ų3453 Ų5324%0.23827%0.268CS..Iπ-helixtrans-115.7-39.7-172.4-540000114.4Q440 V469 R477Q440-S473 VanDerWaalsContact NE2-CB 3.31Å; V469-S473 VanDerWaalsContact O-CB 3.3Å; V469-S473 WeakPolarHBondContact O-CB 3.33Å; V469-S473 PolarHBondContact O-N 3.42Å; S473-R477 WeakPolarHBondContact O-CD 3.42Å; S473-R477 VanDerWaalsContact O-CG 3.28Å; S473-R477 WeakPolarHBondContact O-CG 3.27Å; S473-R477 PolarHBondContact O-NE 2.83Å
474L86.6Confident84.6Confident1 Ų149.6 Ų49.61%0.00526%0.263CS..Iπ-helixtrans-94.7-52.2-171.6-67.1172.6000112.3L436 Q440 L443 L458 M465 V469 L470 R477 I478L436-L474 HydrophobicContact CD1-CD1 4.35Å; L436-L474 HydrophobicContact CD1-CD2 4.48Å; L436-L474 HydrophobicContact CD1-CG 4.5Å; Q440-L474 HydrophobicContact CG-CD2 4.27Å; L443-L474 HydrophobicContact CD1-CD2 4.09Å; L458-L474 HydrophobicContact CD2-CD1 4.08Å; L458-L474 HydrophobicContact CD2-CD2 4.31Å; M465-L474 HydrophobicContact CE-CD1 4.24Å; M465-L474 HydrophobicContact SD-CD1 3.59Å; M465-L474 VanDerWaalsContact SD-CD1 3.59Å; V469-L474 PolarHBondContact O-N 3.45Å; L470-L474 HydrophobicContact CD1-CB 4.22Å; L470-L474 HydrophobicContact CD1-CD1 3.9Å; L470-L474 PolarHBondContact O-N 3.25Å; L474-R477 PolarHBondContact O-N 2.91Å; L474-R477 VanDerWaalsContact O-N 3.11Å; L474-I478 WeakPolarHBondContact O-CG1 3.45Å; L474-I478 PolarHBondContact O-N 3.18Å
475I88.9Confident85.5Confident3 Ų346.6 Ų46.62%0.01524%0.237CC..Hα-helixtrans-54.2-48.9-178.6-68.1171.3000112.5L470 R477 I478 Q479 L505 I509 I514L470-I475 HydrophobicContact CG-CD1 4.48Å; L470-I475 WeakPolarHBondContact O-CG1 3.35Å; L470-I475 PolarHBondContact O-N 2.86Å; I475-R477 PolarHBondContact O-N 2.87Å; I475-I478 PolarHBondContact O-N 3.44Å; I475-I478 VanDerWaalsContact O-N 3.12Å; I475-Q479 HydrophobicContact CG2-CG 4.08Å; I475-Q479 WeakPolarHBondContact O-CB 3.36Å; I475-Q479 WeakPolarHBondContact O-CG 3.46Å; I475-Q479 PolarHBondContact O-N 2.97Å; I475-L505 HydrophobicContact CD1-CD1 3.69Å; I475-L505 HydrophobicContact CD1-CD2 3.57Å; I475-L505 HydrophobicContact CD1-CG 4.3Å; I475-I509 HydrophobicContact CD1-CG2 4.41Å; I475-I514 HydrophobicContact CD1-CD1 4.46Å; I475-I514 HydrophobicContact CG2-CD1 3.81Å
476P89.2Confident86.1Confident44 Ų4453.6 Ų53.629%0.28627%0.269SS..Hα-helixtrans-64.9-27.5-178.1-22.935.6000113.1R471 R480R471-P476 VanDerWaalsContact O-CD 3.23Å; R471-P476 WeakPolarHBondContact O-CD 3.39Å; P476-R480 VanDerWaalsContact O-CB 3.27Å; P476-R480 WeakPolarHBondContact O-CB 3.47Å; P476-R480 PolarHBondContact O-N 3.4Å; P476-R480 VanDerWaalsContact O-N 3.08Å
477R89.8Confident86.7Confident60 Ų6055.8 Ų55.823%0.22627%0.273CS..Hα-helixtrans-74.6-43.3174-67.3178.7-176.3-114.8-11.9111.4Q440 L443 D444 S473 L474 I475 R480 L481Q440-R477 PolarHBondContact O-NH1 3.08Å; L443-R477 HydrophobicContact CB-CB 4.4Å; L443-R477 HydrophobicContact CD1-CB 4.11Å; D444-R477 IonicContact OD1-CZ 3.57Å; D444-R477 IonicContact OD1-NH1 3.88Å; D444-R477 PolarHBondContact OD1-NH1 3.15Å; D444-R477 IonicContact OD2-CZ 3.04Å; D444-R477 IonicContact OD2-NH1 2.79Å; D444-R477 PolarHBondContact OD2-NH1 3.17Å; D444-R477 IonicContact OD2-NH2 3.43Å; S473-R477 WeakPolarHBondContact O-CD 3.42Å; S473-R477 VanDerWaalsContact O-CG 3.28Å; S473-R477 WeakPolarHBondContact O-CG 3.27Å; S473-R477 PolarHBondContact O-NE 2.83Å; L474-R477 PolarHBondContact O-N 2.91Å; L474-R477 VanDerWaalsContact O-N 3.11Å; I475-R477 PolarHBondContact O-N 2.87Å; R477-R480 PolarHBondContact O-N 3.25Å; R477-L481 VanDerWaalsContact O-CB 3.26Å; R477-L481 WeakPolarHBondContact O-CB 3.26Å; R477-L481 PolarHBondContact O-N 3.43Å
478I91.9Very high87.2Confident0 Ų056.2 Ų56.20%028%0.276CS..Hα-helixtrans-64.2-42176.4-60.2164.2000110.7L443 L455 L458 L474 I475 L481 C482 C494 I498 L501L443-I478 HydrophobicContact CD1-CG1 4.03Å; L455-I478 HydrophobicContact CD2-CD1 4.48Å; L455-I478 HydrophobicContact CD2-CG1 3.97Å; L455-I478 HydrophobicContact CD2-CG2 3.94Å; L458-I478 HydrophobicContact CD1-CD1 4.3Å; L474-I478 WeakPolarHBondContact O-CG1 3.45Å; L474-I478 PolarHBondContact O-N 3.18Å; I475-I478 PolarHBondContact O-N 3.44Å; I475-I478 VanDerWaalsContact O-N 3.12Å; I478-L481 PolarHBondContact O-N 2.82Å; I478-C482 WeakPolarHBondContact O-CB 3.45Å; I478-C482 PolarHBondContact O-N 3.35Å; I478-C494 HydrophobicContact CG2-CB 3.86Å; I478-I498 HydrophobicContact CG2-CD1 3.91Å; I478-I498 HydrophobicContact CG2-CG1 3.94Å; I478-L501 HydrophobicContact CD1-CD1 4.4Å
479Q91.9Very high87.7Confident24 Ų2453.5 Ų53.511%0.11226%0.26CS..Hα-helixtrans-60.8-50.6174.5-71.5173.6-30.300111.4I475 L481 C482 L483 D513 F517I475-Q479 HydrophobicContact CG2-CG 4.08Å; I475-Q479 WeakPolarHBondContact O-CB 3.36Å; I475-Q479 WeakPolarHBondContact O-CG 3.46Å; I475-Q479 PolarHBondContact O-N 2.97Å; Q479-L481 PolarHBondContact O-N 3.14Å; Q479-C482 PolarHBondContact O-N 3.18Å; Q479-L483 WeakPolarHBondContact O-CG 3.13Å; Q479-L483 PolarHBondContact O-N 3.29Å; Q479-L483 VanDerWaalsContact O-N 3.1Å; Q479-D513 PolarHBondContact NE2-OD1 3.16Å; Q479-F517 HydrophobicContact CB-CD2 3.76Å; Q479-F517 HydrophobicContact CB-CE2 3.69Å; Q479-F517 HydrophobicContact CB-CG 4.43Å; Q479-F517 HydrophobicContact CB-CZ 4.31Å; Q479-F517 HydrophobicContact CG-CB 4.43Å; Q479-F517 HydrophobicContact CG-CD1 4.13Å; Q479-F517 HydrophobicContact CG-CD2 3.63Å; Q479-F517 HydrophobicContact CG-CE1 4.31Å; Q479-F517 HydrophobicContact CG-CE2 3.82Å; Q479-F517 HydrophobicContact CG-CG 3.78Å; Q479-F517 HydrophobicContact CG-CZ 4.16Å
480R91.5Very high88.1Confident149 Ų14952.8 Ų52.856%0.56226%0.255SS*.Hα-helixtrans-56.1-49.6176.6-174.7-172.5-59.4142.22.1111.1P476 R477 C482 L483 S484P476-R480 VanDerWaalsContact O-CB 3.27Å; P476-R480 WeakPolarHBondContact O-CB 3.47Å; P476-R480 PolarHBondContact O-N 3.4Å; P476-R480 VanDerWaalsContact O-N 3.08Å; R477-R480 PolarHBondContact O-N 3.25Å; R480-C482 VanDerWaalsContact C-N 3.33Å; R480-C482 PolarHBondContact O-N 2.92Å; R480-L483 PolarHBondContact O-N 3.36Å; R480-S484 WeakPolarHBondContact O-CB 3.13Å; R480-S484 PolarHBondContact O-N 3.14Å; R480-S484 PolarHBondContact O-OG 2.96Å; R480-S484 VanDerWaalsContact O-OG 3.11Å
481L90.8Very high88.7Confident10 Ų1055.3 Ų55.35%0.05227%0.265CS..Hα-helixtrans-59.2-41.7179177.259.8000112.2L443 Q451 L455 R477 I478 Q479 L483 S484 T485 T490L443-L481 HydrophobicContact CD2-CD2 4.17Å; Q451-L481 HydrophobicContact CB-CD2 4.15Å; Q451-L481 HydrophobicContact CG-CD1 4.23Å; Q451-L481 HydrophobicContact CG-CD2 4.11Å; L455-L481 HydrophobicContact CD1-CD2 4.01Å; R477-L481 VanDerWaalsContact O-CB 3.26Å; R477-L481 WeakPolarHBondContact O-CB 3.26Å; R477-L481 PolarHBondContact O-N 3.43Å; I478-L481 PolarHBondContact O-N 2.82Å; Q479-L481 PolarHBondContact O-N 3.14Å; L481-L483 VanDerWaalsContact C-N 3.32Å; L481-L483 PolarHBondContact O-N 3.48Å; L481-S484 PolarHBondContact O-N 3.27Å; L481-T485 VanDerWaalsContact O-CB 3.22Å; L481-T485 WeakPolarHBondContact O-CB 3.43Å; L481-T485 WeakPolarHBondContact O-CG2 3.42Å; L481-T485 PolarHBondContact O-N 2.94Å; L481-T490 HydrophobicContact CD1-CG2 4.18Å; L481-T490 HydrophobicContact CD2-CG2 4.28Å; L481-T490 HydrophobicContact CG-CG2 4.15Å
482C91.7Very high89.2Confident2 Ų249.2 Ų49.21%0.01424%0.242CC..Hα-helixtrans-64.5-35.3177.6-166.40000112.8I478 Q479 R480 C494 F517I478-C482 WeakPolarHBondContact O-CB 3.45Å; I478-C482 PolarHBondContact O-N 3.35Å; Q479-C482 PolarHBondContact O-N 3.18Å; R480-C482 VanDerWaalsContact C-N 3.33Å; R480-C482 PolarHBondContact O-N 2.92Å; C482-C494 HydrophobicContact CB-CB 3.69Å; C482-F517 HydrophobicContact CB-CE2 4.23Å; C482-F517 HydrophobicContact CB-CZ 3.81Å
483L91Very high89.6Confident75 Ų7544.6 Ų44.639%0.39322%0.217SC..Hα-helixtrans-81.2-34.2177.8-64.9173.6000112.9Q479 R480 L481 F517 Q520 I521Q479-L483 WeakPolarHBondContact O-CG 3.13Å; Q479-L483 PolarHBondContact O-N 3.29Å; Q479-L483 VanDerWaalsContact O-N 3.1Å; R480-L483 PolarHBondContact O-N 3.36Å; L481-L483 VanDerWaalsContact C-N 3.32Å; L481-L483 PolarHBondContact O-N 3.48Å; L483-F517 HydrophobicContact CD1-CD2 4.44Å; L483-F517 HydrophobicContact CD1-CE2 4.37Å; L483-F517 HydrophobicContact CD2-CE2 4.39Å; L483-F517 HydrophobicContact CG-CE2 4.08Å; L483-Q520 HydrophobicContact CD2-CB 4.21Å; L483-I521 HydrophobicContact CD2-CG1 4.35Å
484S89.7Confident90.1Very high84 Ų8443 Ų4359%0.58721%0.206SC*.Hα-helixtrans-86.7-27.8-175.768.70000114.2R480 L481R480-S484 WeakPolarHBondContact O-CB 3.13Å; R480-S484 PolarHBondContact O-N 3.14Å; R480-S484 PolarHBondContact O-OG 2.96Å; R480-S484 VanDerWaalsContact O-OG 3.11Å; L481-S484 PolarHBondContact O-N 3.27Å
485T88.6Confident90.4Very high12 Ų1243 Ų437%0.07421%0.206CC..  trans-75.6138.7-176.2-163.60000112L481 Y487 T490 R491L481-T485 VanDerWaalsContact O-CB 3.22Å; L481-T485 WeakPolarHBondContact O-CB 3.43Å; L481-T485 WeakPolarHBondContact O-CG2 3.42Å; L481-T485 PolarHBondContact O-N 2.94Å; T485-Y487 PolarHBondContact OG1-N 3.36Å; T485-T490 HydrophobicContact CG2-CG2 3.9Å; T485-R491 HydrophobicContact CG2-CG 3.46Å; T485-R491 VanDerWaalsContact CG2-CG 3.46Å; T485-R491 PolarHBondContact O-NE 2.82Å; T485-R491 PolarHBondContact O-NH2 2.81Å
486E86.7Confident90.5Very high178 Ų17843.4 Ų43.483%0.83221%0.208SC*.  trans-82.7-21.3171.6-60.9-174.7164.700112L488E486-L488 PolarHBondContact O-N 3.29Å
487Y88.8Confident90.5Very high117 Ų11741.4 Ų41.446%0.45920%0.195SC..  trans-75.8114.4-174.8-58.2-66.8000112K448 T485 S489 T490 R491K448-Y487 HydrophobicContact CB-CD2 4.44Å; K448-Y487 HydrophobicContact CB-CE2 4.45Å; K448-Y487 HydrophobicContact CD-CD1 4.19Å; K448-Y487 HydrophobicContact CD-CD2 4.34Å; K448-Y487 HydrophobicContact CD-CG 4.1Å; K448-Y487 HydrophobicContact CG-CD2 4.46Å; T485-Y487 PolarHBondContact OG1-N 3.36Å; Y487-S489 PolarHBondContact O-N 3.13Å; Y487-T490 PolarHBondContact O-N 2.84Å; Y487-R491 PolarHBondContact O-N 2.77Å
488L88Confident90.6Very high62 Ų6238.7 Ų38.733%0.32519%0.185SC..Hα-helixtrans-53-40.4176.1-172.662.5000112.8E486 R491 M492 E525 I528E486-L488 PolarHBondContact O-N 3.29Å; L488-R491 PolarHBondContact O-N 2.84Å; L488-M492 WeakPolarHBondContact O-CB 3.27Å; L488-M492 PolarHBondContact O-N 3.04Å; L488-E525 HydrophobicContact CD1-CB 3.89Å; L488-E525 HydrophobicContact CD1-CG 3.78Å; L488-E525 HydrophobicContact CD2-CB 4.4Å; L488-E525 HydrophobicContact CD2-CG 4.12Å; L488-I528 HydrophobicContact CD1-CD1 3.96Å; L488-I528 HydrophobicContact CD1-CG1 3.4Å; L488-I528 VanDerWaalsContact CD1-CG1 3.4Å
489S89.4Confident90.5Very high19 Ų1938.7 Ų38.713%0.13319%0.185CC..Hα-helixtrans-66.3-37.2177.862.60000112.5K448 E452 Y487 M492 N493K448-S489 WeakPolarHBondContact CE-OG 3.44Å; K448-S489 PolarHBondContact NZ-OG 3.14Å; E452-S489 WeakPolarHBondContact OE1-CB 3.39Å; E452-S489 PolarHBondContact OE1-OG 3.12Å; Y487-S489 PolarHBondContact O-N 3.13Å; S489-M492 PolarHBondContact O-N 2.98Å; S489-N493 PolarHBondContact O-N 3.24Å; S489-N493 PolarHBondContact O-ND2 3.46Å
490T89.8Confident90.3Very high0 Ų039.7 Ų39.70%019%0.189CC..Hα-helixtrans-66.9-46.1174.2-53.40000110.7Q451 L455 L481 T485 Y487 M492 N493 C494Q451-T490 HydrophobicContact CB-CG2 4.39Å; L455-T490 HydrophobicContact CD1-CG2 4.38Å; L481-T490 HydrophobicContact CD1-CG2 4.18Å; L481-T490 HydrophobicContact CD2-CG2 4.28Å; L481-T490 HydrophobicContact CG-CG2 4.15Å; T485-T490 HydrophobicContact CG2-CG2 3.9Å; Y487-T490 PolarHBondContact O-N 2.84Å; T490-M492 VanDerWaalsContact C-N 3.3Å; T490-M492 PolarHBondContact O-N 3.19Å; T490-N493 PolarHBondContact O-N 2.9Å; T490-N493 VanDerWaalsContact O-N 3.16Å; T490-C494 PolarHBondContact O-N 3.47Å; T490-C494 PolarHBondContact O-SG 2.91Å; T490-C494 VanDerWaalsContact O-SG 3.33Å
491R92Very high90.1Very high57 Ų5732.8 Ų32.822%0.21516%0.163CC..Hα-helixtrans-56.1-44.3174.5-63.5-169.5-178173.6-0.5112.1T485 Y487 L488 C494 L495 I528T485-R491 HydrophobicContact CG2-CG 3.46Å; T485-R491 VanDerWaalsContact CG2-CG 3.46Å; T485-R491 PolarHBondContact O-NE 2.82Å; T485-R491 PolarHBondContact O-NH2 2.81Å; Y487-R491 PolarHBondContact O-N 2.77Å; L488-R491 PolarHBondContact O-N 2.84Å; R491-C494 WeakPolarHBondContact O-CB 3.26Å; R491-C494 PolarHBondContact O-N 2.8Å; R491-L495 PolarHBondContact O-N 3.47Å; R491-I528 HydrophobicContact CB-CD1 3.81Å
492M90.8Very high89.9Confident1 Ų132.3 Ų32.31%0.00516%0.161CC..Hα-helixtrans-60.5-49.7176-176.952.8168.300111L488 S489 T490 C494 L495 L496 T527 I528 A531 I634 L638 Y644L488-M492 WeakPolarHBondContact O-CB 3.27Å; L488-M492 PolarHBondContact O-N 3.04Å; S489-M492 PolarHBondContact O-N 2.98Å; T490-M492 VanDerWaalsContact C-N 3.3Å; T490-M492 PolarHBondContact O-N 3.19Å; M492-C494 VanDerWaalsContact C-N 3.3Å; M492-C494 PolarHBondContact O-N 2.81Å; M492-L495 PolarHBondContact O-N 2.97Å; M492-L495 VanDerWaalsContact O-N 3.15Å; M492-L496 HydrophobicContact CE-CD1 4.15Å; M492-L496 HydrophobicContact CE-CD2 3.83Å; M492-L496 HydrophobicContact CE-CG 4.08Å; M492-L496 HydrophobicContact CG-CD1 4.35Å; M492-L496 HydrophobicContact CG-CG 4.37Å; M492-L496 VanDerWaalsContact O-CG 3.32Å; M492-L496 WeakPolarHBondContact O-CG 3.35Å; M492-L496 PolarHBondContact O-N 2.87Å; M492-L496 HydrophobicContact SD-CD2 4.22Å; M492-L496 HydrophobicContact SD-CG 4.12Å; M492-T527 HydrophobicContact CE-CG2 3.93Å; M492-T527 HydrophobicContact CG-CG2 4.11Å; M492-T527 HydrophobicContact SD-CG2 3.98Å; M492-I528 HydrophobicContact CB-CD1 4.13Å; M492-A531 HydrophobicContact CE-CB 4.14Å; M492-A531 HydrophobicContact SD-CB 3.59Å; M492-A531 VanDerWaalsContact SD-CB 3.59Å; M492-I634 HydrophobicContact CE-CG1 4.45Å; M492-L638 HydrophobicContact CE-CD1 3.5Å; M492-Y644 HydrophobicContact CB-CE1 4.05Å; M492-Y644 HydrophobicContact CG-CD1 3.84Å; M492-Y644 HydrophobicContact CG-CE1 3.49Å; M492-Y644 VanDerWaalsContact CG-CE1 3.49Å
493N91.2Very high89.5Confident5 Ų534.6 Ų34.63%0.02717%0.173CC..Hα-helixtrans-61.6-33.8177-75-70.6000113.2L455 K456 S489 T490 C497L455-N493 HydrophobicContact CB-CB 4.12Å; L455-N493 HydrophobicContact CD1-CB 3.97Å; K456-N493 WeakPolarHBondContact CE-OD1 3.47Å; S489-N493 PolarHBondContact O-N 3.24Å; S489-N493 PolarHBondContact O-ND2 3.46Å; T490-N493 PolarHBondContact O-N 2.9Å; T490-N493 VanDerWaalsContact O-N 3.16Å; N493-C497 VanDerWaalsContact O-CB 3.27Å; N493-C497 WeakPolarHBondContact O-CB 3.5Å; N493-C497 PolarHBondContact O-N 2.91Å
494C93Very high89Confident0 Ų033.8 Ų33.80%017%0.168CC..Hα-helixtrans-61.7-48.6172.1-68.40000111.8L455 I478 C482 T490 R491 M492 C497 I498L455-C494 VanDerWaalsContact CD1-SG 3.51Å; I478-C494 HydrophobicContact CG2-CB 3.86Å; C482-C494 HydrophobicContact CB-CB 3.69Å; T490-C494 PolarHBondContact O-N 3.47Å; T490-C494 PolarHBondContact O-SG 2.91Å; T490-C494 VanDerWaalsContact O-SG 3.33Å; R491-C494 WeakPolarHBondContact O-CB 3.26Å; R491-C494 PolarHBondContact O-N 2.8Å; M492-C494 VanDerWaalsContact C-N 3.3Å; M492-C494 PolarHBondContact O-N 2.81Å; C494-C497 PolarHBondContact O-N 3.25Å; C494-I498 WeakPolarHBondContact O-CG1 3.5Å; C494-I498 PolarHBondContact O-N 3.3Å
495L92.7Very high88.8Confident0 Ų030.3 Ų30.30%014%0.143CC..Hα-helixtrans-64.5-42178.5-71172.4000112.1R491 M492 C497 I498 G499 F517 L518 I521 I528 A531 I532 I535R491-L495 PolarHBondContact O-N 3.47Å; M492-L495 PolarHBondContact O-N 2.97Å; M492-L495 VanDerWaalsContact O-N 3.15Å; L495-C497 VanDerWaalsContact C-N 3.34Å; L495-C497 PolarHBondContact O-N 3.37Å; L495-I498 PolarHBondContact O-N 2.82Å; L495-G499 PolarHBondContact O-N 2.95Å; L495-F517 HydrophobicContact CD2-CE1 4.36Å; L495-L518 HydrophobicContact CD2-CD2 3.68Å; L495-I521 HydrophobicContact CD1-CD1 4.45Å; L495-I521 HydrophobicContact CD2-CD1 3.68Å; L495-I521 HydrophobicContact CG-CD1 4.46Å; L495-I528 HydrophobicContact CD1-CD1 3.97Å; L495-I528 HydrophobicContact CD1-CG2 3.85Å; L495-A531 HydrophobicContact CB-CB 4.02Å; L495-A531 HydrophobicContact CD1-CB 3.9Å; L495-I532 HydrophobicContact CD1-CG1 4.09Å; L495-I532 HydrophobicContact CD2-CG1 4.45Å; L495-I535 HydrophobicContact CB-CD1 4.14Å; L495-I535 HydrophobicContact CD2-CD1 3.75Å
496L91.3Very high88.5Confident12 Ų1233.5 Ų33.56%0.06316%0.16CC..Hα-helixtrans-62.7-40.7174.4-65.6-169.7000112.2M492 G499 K500 M630 I634 Y644M492-L496 HydrophobicContact CE-CD1 4.15Å; M492-L496 HydrophobicContact CE-CD2 3.83Å; M492-L496 HydrophobicContact CE-CG 4.08Å; M492-L496 HydrophobicContact CG-CD1 4.35Å; M492-L496 HydrophobicContact CG-CG 4.37Å; M492-L496 VanDerWaalsContact O-CG 3.32Å; M492-L496 WeakPolarHBondContact O-CG 3.35Å; M492-L496 PolarHBondContact O-N 2.87Å; M492-L496 HydrophobicContact SD-CD2 4.22Å; M492-L496 HydrophobicContact SD-CG 4.12Å; L496-G499 PolarHBondContact O-N 2.94Å; L496-K500 WeakPolarHBondContact O-CB 3.45Å; L496-K500 VanDerWaalsContact O-CG 3.29Å; L496-K500 WeakPolarHBondContact O-CG 3.39Å; L496-K500 PolarHBondContact O-N 2.89Å; L496-M630 HydrophobicContact CD2-CE 3.86Å; L496-M630 HydrophobicContact CD2-CG 4.2Å; L496-I634 HydrophobicContact CD1-CD1 3.73Å; L496-I634 HydrophobicContact CD2-CD1 3.39Å; L496-I634 HydrophobicContact CD2-CG1 3.81Å; L496-I634 HydrophobicContact CG-CD1 4.17Å; L496-Y644 HydrophobicContact CD1-CD1 4.26Å
497C90.8Very high88.4Confident2 Ų229 Ų291%0.01414%0.138CC..Hα-helixtrans-61.5-47175.1-171.90000111L455 N493 C494 L495 K500 L501L455-C497 HydrophobicContact CB-CB 4.38Å; L455-C497 HydrophobicContact CD2-CB 4.02Å; L455-C497 PolarHBondContact O-SG 2.88Å; N493-C497 VanDerWaalsContact O-CB 3.27Å; N493-C497 WeakPolarHBondContact O-CB 3.5Å; N493-C497 PolarHBondContact O-N 2.91Å; C494-C497 PolarHBondContact O-N 3.25Å; L495-C497 VanDerWaalsContact C-N 3.34Å; L495-C497 PolarHBondContact O-N 3.37Å; C497-K500 PolarHBondContact O-N 2.95Å; C497-L501 WeakPolarHBondContact O-CB 3.43Å; C497-L501 WeakPolarHBondContact O-CD1 3.39Å; C497-L501 WeakPolarHBondContact O-CG 3.42Å; C497-L501 PolarHBondContact O-N 2.99Å; C497-L501 VanDerWaalsContact SG-CD1 3.57Å
498I91.5Very high88.2Confident3 Ų332.2 Ų32.22%0.01515%0.149CC..Hα-helixtrans-62.2-47177.3-69.5169.2000111.2I478 C494 L495 K500 L501 L502 I514 F517 I535I478-I498 HydrophobicContact CG2-CD1 3.91Å; I478-I498 HydrophobicContact CG2-CG1 3.94Å; C494-I498 WeakPolarHBondContact O-CG1 3.5Å; C494-I498 PolarHBondContact O-N 3.3Å; L495-I498 PolarHBondContact O-N 2.82Å; I498-K500 VanDerWaalsContact C-N 3.32Å; I498-K500 PolarHBondContact O-N 2.83Å; I498-L501 PolarHBondContact O-N 2.9Å; I498-L502 HydrophobicContact CG2-CD1 4.42Å; I498-L502 PolarHBondContact O-N 3.37Å; I498-L502 VanDerWaalsContact O-N 3.12Å; I498-I514 HydrophobicContact CG2-CD1 4.21Å; I498-I514 HydrophobicContact CG2-CG2 3.81Å; I498-F517 HydrophobicContact CD1-CD1 4.26Å; I498-F517 HydrophobicContact CD1-CE1 3.52Å; I498-F517 HydrophobicContact CD1-CZ 4.11Å; I498-I535 HydrophobicContact CG2-CD1 4.47Å
499G89.1Confident87.9Confident0 Ų029.7 Ų29.70%014%0.136CC..Hα-helixtrans-61.4-36.8178.600000113.5L495 L496 L502 L538L495-G499 PolarHBondContact O-N 2.95Å; L496-G499 PolarHBondContact O-N 2.94Å; G499-L502 WeakPolarHBondContact O-CB 3.45Å; G499-L538 VanDerWaalsContact O-CD2 3.23Å; G499-L538 WeakPolarHBondContact O-CD2 3.37Å
500K87.8Confident87.7Confident46 Ų4628.9 Ų28.920%0.213%0.13CC..Hα-helixtrans-76.5-26.1175.4-67.8-171.7170-168.60113.9P459 L496 C497 I498 L502 T631P459-K500 HydrophobicContact CB-CB 3.67Å; P459-K500 HydrophobicContact CB-CD 4.26Å; P459-K500 HydrophobicContact CG-CB 3.79Å; P459-K500 HydrophobicContact CG-CD 4.22Å; L496-K500 WeakPolarHBondContact O-CB 3.45Å; L496-K500 VanDerWaalsContact O-CG 3.29Å; L496-K500 WeakPolarHBondContact O-CG 3.39Å; L496-K500 PolarHBondContact O-N 2.89Å; C497-K500 PolarHBondContact O-N 2.95Å; I498-K500 VanDerWaalsContact C-N 3.32Å; I498-K500 PolarHBondContact O-N 2.83Å; K500-L502 VanDerWaalsContact C-N 3.34Å; K500-T631 WeakPolarHBondContact CE-OG1 3.28Å; K500-T631 PolarHBondContact NZ-OG1 2.86Å
501L87.7Confident87.3Confident4 Ų429.5 Ų29.52%0.02113%0.133CC..Hα-helixtrans-82.8-10176-71.1167.8000113.1L470 I478 C497 I498 D503 L504L470-L501 HydrophobicContact CD1-CD1 4.07Å; L470-L501 HydrophobicContact CD1-CD2 4.14Å; L470-L501 HydrophobicContact CD2-CD2 4.34Å; I478-L501 HydrophobicContact CD1-CD1 4.4Å; C497-L501 WeakPolarHBondContact O-CB 3.43Å; C497-L501 WeakPolarHBondContact O-CD1 3.39Å; C497-L501 WeakPolarHBondContact O-CG 3.42Å; C497-L501 PolarHBondContact O-N 2.99Å; C497-L501 VanDerWaalsContact SG-CD1 3.57Å; I498-L501 PolarHBondContact O-N 2.9Å; L501-D503 VanDerWaalsContact C-N 3.3Å; L501-D503 PolarHBondContact O-N 2.89Å; L501-L504 HydrophobicContact CD2-CD1 3.94Å; L501-L504 WeakPolarHBondContact O-CB 3.37Å; L501-L504 PolarHBondContact O-N 3.21Å
502L86.6Confident87Confident0 Ų031.3 Ų31.30%015%0.147CC..G310 helixtrans-59.5-34.6-171.9-142.376.6000113.8I498 G499 K500 L504 L505 V510 I514 I535 L538 A539 L545I498-L502 HydrophobicContact CG2-CD1 4.42Å; I498-L502 PolarHBondContact O-N 3.37Å; I498-L502 VanDerWaalsContact O-N 3.12Å; G499-L502 WeakPolarHBondContact O-CB 3.45Å; K500-L502 VanDerWaalsContact C-N 3.34Å; L502-L504 PolarHBondContact O-N 3.12Å; L502-L504 VanDerWaalsContact O-N 3.16Å; L502-L505 PolarHBondContact O-N 2.81Å; L502-V510 HydrophobicContact CD1-CG1 4.42Å; L502-V510 HydrophobicContact CD1-CG2 4.04Å; L502-V510 HydrophobicContact CG-CG2 4.22Å; L502-I514 HydrophobicContact CD1-CG2 4.29Å; L502-I535 HydrophobicContact CD1-CG2 4.24Å; L502-I535 HydrophobicContact CD2-CG2 4.31Å; L502-L538 HydrophobicContact CD2-CB 3.79Å; L502-L538 HydrophobicContact CD2-CD2 4.46Å; L502-A539 HydrophobicContact CD2-CB 4.11Å; L502-L545 HydrophobicContact CB-CD1 4.41Å; L502-L545 HydrophobicContact CD2-CD1 3.69Å; L502-L545 HydrophobicContact CG-CD1 3.72Å
503D83.1Confident86.8Confident49 Ų4933.7 Ų33.726%0.26216%0.16SC..G310 helixtrans-57.8-24.5174-75-22.1000113.3L501 H542 S625 C626L501-D503 VanDerWaalsContact C-N 3.3Å; L501-D503 PolarHBondContact O-N 2.89Å; D503-H542 IonicContact OD1-CD2 3.01Å; D503-H542 IonicContact OD1-NE2 2.72Å; D503-S625 WeakPolarHBondContact OD2-CA 3.28Å; D503-S625 WeakPolarHBondContact OD2-CB 3.26Å; D503-S625 PolarHBondContact OD2-OG 3.18Å; D503-C626 VanDerWaalsContact CG-N 3.33Å; D503-C626 WeakPolarHBondContact OD1-CB 3.36Å; D503-C626 PolarHBondContact OD1-N 3.02Å; D503-C626 PolarHBondContact OD1-SG 2.73Å; D503-C626 PolarHBondContact OD2-N 3.38Å
504L81.3Confident86.7Confident58 Ų5833.5 Ų33.530%0.30416%0.159SC..G310 helixtrans-98.91.3-172.5-54.7171.8000112.7G462 K463 L467 L470 L501 L502G462-L504 VanDerWaalsContact C-CD1 3.43Å; K463-L504 HydrophobicContact CG-CD1 4.44Å; K463-L504 HydrophobicContact CG-CD2 4.36Å; L467-L504 WeakPolarHBondContact CD1-O 3.19Å; L470-L504 HydrophobicContact CD2-CB 4.07Å; L501-L504 HydrophobicContact CD2-CD1 3.94Å; L501-L504 WeakPolarHBondContact O-CB 3.37Å; L501-L504 PolarHBondContact O-N 3.21Å; L502-L504 PolarHBondContact O-N 3.12Å; L502-L504 VanDerWaalsContact O-N 3.16Å
505L83.6Confident86.5Confident12 Ų1233.6 Ų33.66%0.06316%0.159CC..SBendtrans-108.7145.4-174.3-58-178.3000112.5L467 L470 I475 L502 V510 I514 L545L467-L505 HydrophobicContact CD1-CD2 4.12Å; L470-L505 HydrophobicContact CD2-CD2 3.57Å; L470-L505 HydrophobicContact CG-CD2 4Å; I475-L505 HydrophobicContact CD1-CD1 3.69Å; I475-L505 HydrophobicContact CD1-CD2 3.57Å; I475-L505 HydrophobicContact CD1-CG 4.3Å; L502-L505 PolarHBondContact O-N 2.81Å; L505-V510 HydrophobicContact CB-CG2 3.95Å; L505-V510 HydrophobicContact CD1-CG2 4.43Å; L505-I514 HydrophobicContact CD1-CD1 4.38Å; L505-I514 HydrophobicContact CD1-CG1 4.22Å; L505-L545 WeakPolarHBondContact O-CD2 2.97Å
506D83.9Confident86.3Confident79 Ų7935.1 Ų35.142%0.42217%0.169SC..  trans-64.7143171-71.4-23.1000111.6L467 W508 I509 V510L467-D506 WeakPolarHBondContact CD2-OD2 3.28Å; D506-W508 PolarHBondContact O-N 3.1Å; D506-W508 VanDerWaalsContact O-N 3.1Å; D506-I509 HydrophobicContact CB-CD1 3.97Å; D506-I509 HydrophobicContact CB-CG1 4.15Å; D506-I509 WeakPolarHBondContact O-CB 3.44Å; D506-I509 PolarHBondContact O-N 3.2Å; D506-V510 PolarHBondContact O-N 3.18Å; D506-V510 VanDerWaalsContact O-N 3.07Å
507K83.6Confident86.3Confident84 Ų8434.7 Ų34.737%0.36517%0.167SC..Hα-helixtrans-44.4-42.7171.8168.9160.2-179.5158.10113.6V510 M511 L545 G546K507-V510 PolarHBondContact O-N 2.99Å; K507-M511 HydrophobicContact CD-CE 4.47Å; K507-M511 HydrophobicContact CG-CE 3.72Å; K507-M511 HydrophobicContact CG-CG 4.48Å; K507-M511 HydrophobicContact CG-SD 4.12Å; K507-M511 WeakPolarHBondContact O-CB 3.27Å; K507-M511 WeakPolarHBondContact O-CG 3.34Å; K507-M511 PolarHBondContact O-N 3.43Å; K507-L545 VanDerWaalsContact CD-O 3.24Å; K507-L545 WeakPolarHBondContact CD-O 3.45Å; K507-L545 WeakPolarHBondContact CE-O 3.26Å; K507-L545 VanDerWaalsContact CG-O 3.3Å; K507-L545 WeakPolarHBondContact CG-O 2.99Å; K507-G546 WeakPolarHBondContact CE-O 3.31Å; K507-G546 PolarHBondContact NZ-O 2.89Å
508W84.1Confident86.3Confident184 Ų18434.6 Ų34.670%0.69717%0.166SC*.Hα-helixtrans-63.7-42.9178.2-64.8102000113D506 V510 M511 D512D506-W508 PolarHBondContact O-N 3.1Å; D506-W508 VanDerWaalsContact O-N 3.1Å; W508-V510 VanDerWaalsContact C-N 3.34Å; W508-M511 HydrophobicContact CD2-CE 4.39Å; W508-M511 HydrophobicContact CE3-CE 4.07Å; W508-M511 HydrophobicContact CZ3-CE 4.43Å; W508-M511 PolarHBondContact O-N 2.81Å; W508-D512 PolarHBondContact O-N 3.27Å
509I83Confident86.2Confident8 Ų837.4 Ų37.44%0.04118%0.179CC..Hα-helixtrans-64.3-43.1177.4-57.8166.9000109.3L467 R471 I475 D506 D513 I514L467-I509 HydrophobicContact CD1-CD1 4.03Å; R471-I509 HydrophobicContact CB-CD1 4.17Å; R471-I509 HydrophobicContact CG-CD1 3.88Å; R471-I509 HydrophobicContact CG-CG1 4.38Å; I475-I509 HydrophobicContact CD1-CG2 4.41Å; D506-I509 HydrophobicContact CB-CD1 3.97Å; D506-I509 HydrophobicContact CB-CG1 4.15Å; D506-I509 WeakPolarHBondContact O-CB 3.44Å; D506-I509 PolarHBondContact O-N 3.2Å; I509-D513 HydrophobicContact CG2-CB 4.22Å; I509-D513 WeakPolarHBondContact O-CA 3.38Å; I509-D513 WeakPolarHBondContact O-CB 3.25Å; I509-D513 PolarHBondContact O-N 3.45Å; I509-I514 PolarHBondContact O-N 3.1Å; I509-I514 VanDerWaalsContact O-N 3.08Å
510V84.9Confident86.3Confident2 Ų242.6 Ų42.61%0.01220%0.203CC..Iπ-helixtrans-62.1-48.9176.8177.90000111L502 L505 D506 K507 W508 I514 L515 A539 L545L502-V510 HydrophobicContact CD1-CG1 4.42Å; L502-V510 HydrophobicContact CD1-CG2 4.04Å; L502-V510 HydrophobicContact CG-CG2 4.22Å; L505-V510 HydrophobicContact CB-CG2 3.95Å; L505-V510 HydrophobicContact CD1-CG2 4.43Å; D506-V510 PolarHBondContact O-N 3.18Å; D506-V510 VanDerWaalsContact O-N 3.07Å; K507-V510 PolarHBondContact O-N 2.99Å; W508-V510 VanDerWaalsContact C-N 3.34Å; V510-I514 PolarHBondContact O-N 3.49Å; V510-L515 HydrophobicContact CG1-CD2 4.45Å; V510-L515 HydrophobicContact CG1-CG 4.4Å; V510-L515 WeakPolarHBondContact O-CG 3.23Å; V510-L515 PolarHBondContact O-N 3.37Å; V510-A539 HydrophobicContact CG1-CB 4.04Å; V510-L545 HydrophobicContact CB-CD2 4.25Å; V510-L545 HydrophobicContact CG2-CD1 4.4Å; V510-L545 HydrophobicContact CG2-CD2 3.7Å
511M82.3Confident86.3Confident14 Ų1440.9 Ų40.97%0.06920%0.196CC..Iπ-helixtrans-68.9-37.2-176.5-70-171.9-51.400114.9K507 W508 P516 K551K507-M511 HydrophobicContact CD-CE 4.47Å; K507-M511 HydrophobicContact CG-CE 3.72Å; K507-M511 HydrophobicContact CG-CG 4.48Å; K507-M511 HydrophobicContact CG-SD 4.12Å; K507-M511 WeakPolarHBondContact O-CB 3.27Å; K507-M511 WeakPolarHBondContact O-CG 3.34Å; K507-M511 PolarHBondContact O-N 3.43Å; W508-M511 HydrophobicContact CD2-CE 4.39Å; W508-M511 HydrophobicContact CE3-CE 4.07Å; W508-M511 HydrophobicContact CZ3-CE 4.43Å; W508-M511 PolarHBondContact O-N 2.81Å; M511-P516 WeakPolarHBondContact O-CD 3.47Å; M511-K551 WeakPolarHBondContact O-CE 3.4Å; M511-K551 PolarHBondContact O-NZ 2.8Å
512D84.6Confident86.2Confident95 Ų9550.3 Ų50.351%0.50824%0.237SC..Iπ-helixtrans-109.2-12.8-170.4-68.5-28.8000114.9W508 P516 K551W508-D512 PolarHBondContact O-N 3.27Å; D512-P516 WeakPolarHBondContact O-CG 3.45Å; D512-K551 IonicContact OD1-NZ 2.62Å; D512-K551 PolarHBondContact OD1-NZ 3.42Å
513D85.9Confident86.1Confident51 Ų5150.9 Ų50.927%0.27324%0.241SC..Iπ-helixtrans-115.7-58.8176.1-165.51.1000111Q479 I509 P516 F517Q479-D513 PolarHBondContact NE2-OD1 3.16Å; I509-D513 HydrophobicContact CG2-CB 4.22Å; I509-D513 WeakPolarHBondContact O-CA 3.38Å; I509-D513 WeakPolarHBondContact O-CB 3.25Å; I509-D513 PolarHBondContact O-N 3.45Å; D513-P516 WeakPolarHBondContact O-CD 3.49Å; D513-F517 VanDerWaalsContact O-CB 3.24Å; D513-F517 WeakPolarHBondContact O-CB 3.49Å; D513-F517 PolarHBondContact O-N 3.28Å
514I89.6Confident86.2Confident0 Ų055.3 Ų55.30%025%0.254CS..Iπ-helixtrans-67.7-52.3-175.5-53.5-58.7000112.6I475 I498 L502 L505 I509 V510 F517 L518 I535I475-I514 HydrophobicContact CD1-CD1 4.46Å; I475-I514 HydrophobicContact CG2-CD1 3.81Å; I498-I514 HydrophobicContact CG2-CD1 4.21Å; I498-I514 HydrophobicContact CG2-CG2 3.81Å; L502-I514 HydrophobicContact CD1-CG2 4.29Å; L505-I514 HydrophobicContact CD1-CD1 4.38Å; L505-I514 HydrophobicContact CD1-CG1 4.22Å; I509-I514 PolarHBondContact O-N 3.1Å; I509-I514 VanDerWaalsContact O-N 3.08Å; V510-I514 PolarHBondContact O-N 3.49Å; I514-F517 WeakPolarHBondContact O-CB 3.15Å; I514-F517 PolarHBondContact O-N 3.01Å; I514-F517 VanDerWaalsContact O-N 3.16Å; I514-L518 WeakPolarHBondContact O-CG 3.11Å; I514-L518 PolarHBondContact O-N 2.95Å; I514-I535 HydrophobicContact CG2-CG2 4.42Å
515L88.7Confident86.5Confident3 Ų357.1 Ų57.12%0.01626%0.261CS..Hα-helixtrans-62.9-40.9-177.7-62-170.6000112.8V510 L518 Y536 A539 I547 V556V510-L515 HydrophobicContact CG1-CD2 4.45Å; V510-L515 HydrophobicContact CG1-CG 4.4Å; V510-L515 WeakPolarHBondContact O-CG 3.23Å; V510-L515 PolarHBondContact O-N 3.37Å; L515-L518 HydrophobicContact CD2-CD1 4.18Å; L515-L518 PolarHBondContact O-N 2.93Å; L515-Y536 HydrophobicContact CB-CE1 4.46Å; L515-Y536 HydrophobicContact CD1-CE1 4.4Å; L515-Y536 HydrophobicContact CD2-CD1 3.88Å; L515-Y536 HydrophobicContact CD2-CE1 3.65Å; L515-Y536 HydrophobicContact CG-CE1 4.37Å; L515-Y536 PolarHBondContact O-OH 3.17Å; L515-A539 HydrophobicContact CD2-CB 4.29Å; L515-I547 HydrophobicContact CD1-CD1 4.03Å; L515-I547 HydrophobicContact CD1-CG1 4.15Å; L515-I547 HydrophobicContact CD1-CG2 4.33Å; L515-V556 HydrophobicContact CD1-CG2 4.31Å
516P89.6Confident86.7Confident32 Ų3257.9 Ų57.921%0.20827%0.267CS..Hα-helixtrans-67.2-32172.2-25.538.8000113.8M511 D512 D513 Q519 Q520M511-P516 WeakPolarHBondContact O-CD 3.47Å; D512-P516 WeakPolarHBondContact O-CG 3.45Å; D513-P516 WeakPolarHBondContact O-CD 3.49Å; P516-Q519 PolarHBondContact O-N 3.35Å; P516-Q520 PolarHBondContact O-NE2 3.33Å
517F91.5Very high86.9Confident3 Ų355.7 Ų55.71%0.01326%0.256CS..Hα-helixtrans-62.9-43.9172.7156.9-101.7000112.1Q479 C482 L483 L495 I498 D513 I514 Q519 Q520 I521Q479-F517 HydrophobicContact CB-CD2 3.76Å; Q479-F517 HydrophobicContact CB-CE2 3.69Å; Q479-F517 HydrophobicContact CB-CG 4.43Å; Q479-F517 HydrophobicContact CB-CZ 4.31Å; Q479-F517 HydrophobicContact CG-CB 4.43Å; Q479-F517 HydrophobicContact CG-CD1 4.13Å; Q479-F517 HydrophobicContact CG-CD2 3.63Å; Q479-F517 HydrophobicContact CG-CE1 4.31Å; Q479-F517 HydrophobicContact CG-CE2 3.82Å; Q479-F517 HydrophobicContact CG-CG 3.78Å; Q479-F517 HydrophobicContact CG-CZ 4.16Å; C482-F517 HydrophobicContact CB-CE2 4.23Å; C482-F517 HydrophobicContact CB-CZ 3.81Å; L483-F517 HydrophobicContact CD1-CD2 4.44Å; L483-F517 HydrophobicContact CD1-CE2 4.37Å; L483-F517 HydrophobicContact CD2-CE2 4.39Å; L483-F517 HydrophobicContact CG-CE2 4.08Å; L495-F517 HydrophobicContact CD2-CE1 4.36Å; I498-F517 HydrophobicContact CD1-CD1 4.26Å; I498-F517 HydrophobicContact CD1-CE1 3.52Å; I498-F517 HydrophobicContact CD1-CZ 4.11Å; D513-F517 VanDerWaalsContact O-CB 3.24Å; D513-F517 WeakPolarHBondContact O-CB 3.49Å; D513-F517 PolarHBondContact O-N 3.28Å; I514-F517 WeakPolarHBondContact O-CB 3.15Å; I514-F517 PolarHBondContact O-N 3.01Å; I514-F517 VanDerWaalsContact O-N 3.16Å; F517-Q519 PolarHBondContact O-N 3.49Å; F517-Q519 VanDerWaalsContact O-N 3.16Å; F517-Q520 WeakPolarHBondContact O-CB 3.29Å; F517-Q520 PolarHBondContact O-N 2.88Å; F517-I521 HydrophobicContact CE1-CD1 3.98Å; F517-I521 HydrophobicContact CE2-CD1 4.43Å; F517-I521 HydrophobicContact CE2-CG1 4.48Å; F517-I521 HydrophobicContact CZ-CD1 3.85Å; F517-I521 HydrophobicContact CZ-CG1 4.38Å
518L90.2Very high87.3Confident0 Ų051.7 Ų51.70%024%0.239CC..Hα-helixtrans-56.7-34177.8-64.7178.2000112.2L495 I514 L515 Q520 I521 I532 I535 Y536 Y559L495-L518 HydrophobicContact CD2-CD2 3.68Å; I514-L518 WeakPolarHBondContact O-CG 3.11Å; I514-L518 PolarHBondContact O-N 2.95Å; L515-L518 HydrophobicContact CD2-CD1 4.18Å; L515-L518 PolarHBondContact O-N 2.93Å; L518-Q520 VanDerWaalsContact C-N 3.27Å; L518-Q520 PolarHBondContact O-N 2.9Å; L518-I521 HydrophobicContact CD2-CD1 4.26Å; L518-I521 PolarHBondContact O-N 3.32Å; L518-I532 HydrophobicContact CB-CG2 4.44Å; L518-I532 HydrophobicContact CD2-CG1 4.39Å; L518-I535 HydrophobicContact CD1-CB 4.05Å; L518-I535 HydrophobicContact CD1-CG2 3.8Å; L518-I535 HydrophobicContact CD2-CD1 3.86Å; L518-Y536 HydrophobicContact CB-CE2 4.11Å; L518-Y536 HydrophobicContact CD1-CD2 4.05Å; L518-Y536 HydrophobicContact CD1-CE2 3.77Å; L518-Y559 PolarHBondContact O-OH 3.33Å; L518-Y559 VanDerWaalsContact O-OH 3.06Å
519Q89.6Confident87.6Confident61 Ų6142.9 Ų42.929%0.28521%0.206SC..THydrogen-bonded Turntrans-71.5-17.7178.7-62-177.8-15.700114P516 F517 I521 K555 Y559P516-Q519 PolarHBondContact O-N 3.35Å; F517-Q519 PolarHBondContact O-N 3.49Å; F517-Q519 VanDerWaalsContact O-N 3.16Å; Q519-I521 VanDerWaalsContact C-N 3.35Å; Q519-K555 PolarHBondContact NE2-O 3.4Å; Q519-Y559 HydrophobicContact CB-CD2 4.32Å; Q519-Y559 HydrophobicContact CB-CE2 4.22Å; Q519-Y559 HydrophobicContact CG-CD1 4Å; Q519-Y559 HydrophobicContact CG-CD2 4.02Å; Q519-Y559 HydrophobicContact CG-CE1 4.23Å; Q519-Y559 HydrophobicContact CG-CE2 4.25Å; Q519-Y559 HydrophobicContact CG-CG 3.89Å
520Q89.9Confident88Confident110 Ų11042.6 Ų42.651%0.51420%0.204SC..THydrogen-bonded Turntrans-82.6-14.3177.5-62.5170.436.600112.5L483 P516 F517 L518 K522L483-Q520 HydrophobicContact CD2-CB 4.21Å; P516-Q520 PolarHBondContact O-NE2 3.33Å; F517-Q520 WeakPolarHBondContact O-CB 3.29Å; F517-Q520 PolarHBondContact O-N 2.88Å; L518-Q520 VanDerWaalsContact C-N 3.27Å; L518-Q520 PolarHBondContact O-N 2.9Å; Q520-K522 PolarHBondContact O-N 2.95Å
521I89Confident88.3Confident9 Ų942.6 Ų42.65%0.04620%0.204CC..  trans-77.695.8-175.4-55.1177.5000110L483 L495 F517 L518 Q519 S523 I528 I532L483-I521 HydrophobicContact CD2-CG1 4.35Å; L495-I521 HydrophobicContact CD1-CD1 4.45Å; L495-I521 HydrophobicContact CD2-CD1 3.68Å; L495-I521 HydrophobicContact CG-CD1 4.46Å; F517-I521 HydrophobicContact CE1-CD1 3.98Å; F517-I521 HydrophobicContact CE2-CD1 4.43Å; F517-I521 HydrophobicContact CE2-CG1 4.48Å; F517-I521 HydrophobicContact CZ-CD1 3.85Å; F517-I521 HydrophobicContact CZ-CG1 4.38Å; L518-I521 HydrophobicContact CD2-CD1 4.26Å; L518-I521 PolarHBondContact O-N 3.32Å; Q519-I521 VanDerWaalsContact C-N 3.35Å; I521-S523 VanDerWaalsContact C-N 3.28Å; I521-S523 PolarHBondContact O-N 2.98Å; I521-I528 HydrophobicContact CG2-CG2 4.05Å; I521-I532 HydrophobicContact CB-CD1 4.19Å; I521-I532 HydrophobicContact CD1-CD1 4.4Å; I521-I532 HydrophobicContact CG2-CD1 4.18Å
522K84.4Confident88.7Confident202 Ų20241.9 Ų41.988%0.87820%0.201SC*.  trans-79.670.4176.1-62.6179.4-176.3177.70111.2Q520Q520-K522 PolarHBondContact O-N 2.95Å
523S84.9Confident89Confident13 Ų1337.9 Ų37.99%0.09118%0.179CC..  trans-128138174.3-173.40000110.8I521 E525I521-S523 VanDerWaalsContact C-N 3.28Å; I521-S523 PolarHBondContact O-N 2.98Å; S523-E525 PolarHBondContact OG-N 3.08Å
524R85.4Confident89.2Confident141 Ų14135.5 Ų35.553%0.53217%0.166SC..  trans-110.49.8175.1-55.2-58.2-173.3161-5.8112.6E566 S568R524-E566 VanDerWaalsContact CD-OE1 3.26Å; R524-E566 WeakPolarHBondContact CD-OE1 3.49Å; R524-E566 IonicContact CZ-OE1 3.15Å; R524-E566 IonicContact NE-OE1 3.36Å; R524-E566 PolarHBondContact NE-OE1 2.59Å; R524-E566 IonicContact NH1-OE1 2.66Å; R524-E566 PolarHBondContact NH1-OE1 2.95Å; R524-S568 PolarHBondContact O-OG 2.68Å
525E88.6Confident89.3Confident97 Ų9735.5 Ų35.545%0.45317%0.166SC..  trans-72.1127.8178.3-69.5-63.9154.800110.4L488 S523 T527 I528 L529L488-E525 HydrophobicContact CD1-CB 3.89Å; L488-E525 HydrophobicContact CD1-CG 3.78Å; L488-E525 HydrophobicContact CD2-CB 4.4Å; L488-E525 HydrophobicContact CD2-CG 4.12Å; S523-E525 PolarHBondContact OG-N 3.08Å; E525-T527 PolarHBondContact O-N 2.86Å; E525-T527 VanDerWaalsContact O-N 3.15Å; E525-I528 HydrophobicContact CB-CB 4.44Å; E525-I528 HydrophobicContact CB-CG1 4.3Å; E525-I528 PolarHBondContact O-N 3.5Å; E525-L529 WeakPolarHBondContact O-CG 3.34Å; E525-L529 PolarHBondContact O-N 3.14Å
526P87.4Confident89.4Confident28 Ų2835.3 Ų35.318%0.18217%0.166CC..Hα-helixtrans-59.4-34.5-17322.6-32.4000112.4I528 L529 I530 L569P526-I528 VanDerWaalsContact C-N 3.33Å; P526-I528 PolarHBondContact O-N 3.4Å; P526-L529 PolarHBondContact O-N 3.15Å; P526-I530 WeakPolarHBondContact O-CB 3.49Å; P526-I530 WeakPolarHBondContact O-CG1 3.21Å; P526-I530 PolarHBondContact O-N 3.44Å; P526-L569 HydrophobicContact CB-CD2 4.25Å
527T87.8Confident89.4Confident32 Ų3235.3 Ų35.320%0.19616%0.161CC..Hα-helixtrans-58.6-40.8175-51.50000112.9M492 E525 A531 L638M492-T527 HydrophobicContact CE-CG2 3.93Å; M492-T527 HydrophobicContact CG-CG2 4.11Å; M492-T527 HydrophobicContact SD-CG2 3.98Å; E525-T527 PolarHBondContact O-N 2.86Å; E525-T527 VanDerWaalsContact O-N 3.15Å; T527-A531 PolarHBondContact O-N 2.72Å; T527-L638 HydrophobicContact CG2-CD1 4.07Å; T527-L638 HydrophobicContact CG2-CD2 4.33Å
528I91Very high89.2Confident0 Ų035.2 Ų35.20%016%0.161CC..Hα-helixtrans-79.2-40.5179.5-63.7-64.7000110.7L488 R491 M492 L495 I521 E525 P526 I530 A531 I532L488-I528 HydrophobicContact CD1-CD1 3.96Å; L488-I528 HydrophobicContact CD1-CG1 3.4Å; L488-I528 VanDerWaalsContact CD1-CG1 3.4Å; R491-I528 HydrophobicContact CB-CD1 3.81Å; M492-I528 HydrophobicContact CB-CD1 4.13Å; L495-I528 HydrophobicContact CD1-CD1 3.97Å; L495-I528 HydrophobicContact CD1-CG2 3.85Å; I521-I528 HydrophobicContact CG2-CG2 4.05Å; E525-I528 HydrophobicContact CB-CB 4.44Å; E525-I528 HydrophobicContact CB-CG1 4.3Å; E525-I528 PolarHBondContact O-N 3.5Å; P526-I528 VanDerWaalsContact C-N 3.33Å; P526-I528 PolarHBondContact O-N 3.4Å; I528-I530 VanDerWaalsContact C-N 3.32Å; I528-I530 PolarHBondContact O-N 2.61Å; I528-A531 PolarHBondContact O-N 3.38Å; I528-I532 HydrophobicContact CG2-CD1 3.79Å; I528-I532 HydrophobicContact CG2-CG1 4.36Å; I528-I532 VanDerWaalsContact O-CG1 3.31Å; I528-I532 WeakPolarHBondContact O-CG1 3.35Å; I528-I532 PolarHBondContact O-N 3.22Å
529L91.2Very high89Confident0 Ų035.2 Ų35.20%016%0.161CC..Hα-helixtrans-56.8-45.8175-67.4179.5000111.3E525 P526 I532 L533 L563 E566 L569 Y577E525-L529 WeakPolarHBondContact O-CG 3.34Å; E525-L529 PolarHBondContact O-N 3.14Å; P526-L529 PolarHBondContact O-N 3.15Å; L529-I532 PolarHBondContact O-N 3.41Å; L529-L533 WeakPolarHBondContact O-CB 3.36Å; L529-L533 PolarHBondContact O-N 2.8Å; L529-L563 HydrophobicContact CD2-CD1 4.15Å; L529-L563 HydrophobicContact CD2-CD2 3.8Å; L529-L563 HydrophobicContact CD2-CG 4.38Å; L529-E566 HydrophobicContact CD1-CB 4.16Å; L529-E566 HydrophobicContact CD1-CG 4.19Å; L529-L569 HydrophobicContact CB-CD2 4.21Å; L529-L569 HydrophobicContact CD1-CD2 3.86Å; L529-L569 HydrophobicContact CD1-CG 4.42Å; L529-Y577 HydrophobicContact CB-CE2 4.44Å; L529-Y577 WeakPolarHBondContact CB-OH 3.37Å; L529-Y577 PolarHBondContact O-OH 2.92Å
530I91.8Very high88.9Confident2 Ų234 Ų341%0.0116%0.155CC..Hα-helixtrans-67.8-35.3176.4-70.7-65.7000113P526 I528 L533 G534 Q573 Y577 I633 L638P526-I530 WeakPolarHBondContact O-CB 3.49Å; P526-I530 WeakPolarHBondContact O-CG1 3.21Å; P526-I530 PolarHBondContact O-N 3.44Å; I528-I530 VanDerWaalsContact C-N 3.32Å; I528-I530 PolarHBondContact O-N 2.61Å; I530-L533 HydrophobicContact CD1-CD2 4.03Å; I530-G534 PolarHBondContact O-N 2.92Å; I530-Q573 HydrophobicContact CD1-CB 3.77Å; I530-Q573 HydrophobicContact CD1-CG 3.74Å; I530-Q573 HydrophobicContact CG1-CB 4.21Å; I530-Q573 HydrophobicContact CG1-CG 3.77Å; I530-Y577 HydrophobicContact CD1-CE2 4.46Å; I530-I633 HydrophobicContact CG2-CG2 4.48Å; I530-L638 HydrophobicContact CB-CD2 4.28Å; I530-L638 HydrophobicContact CG2-CD1 4.35Å; I530-L638 HydrophobicContact CG2-CD2 4.25Å; I530-L638 HydrophobicContact CG2-CG 4.14Å
531A90.1Very high88.5Confident1 Ų132.3 Ų32.31%0.00816%0.155CC..Hα-helixtrans-66-42.5173.600000112M492 L495 T527 I528 G534 I535M492-A531 HydrophobicContact CE-CB 4.14Å; M492-A531 HydrophobicContact SD-CB 3.59Å; M492-A531 VanDerWaalsContact SD-CB 3.59Å; L495-A531 HydrophobicContact CB-CB 4.02Å; L495-A531 HydrophobicContact CD1-CB 3.9Å; T527-A531 PolarHBondContact O-N 2.72Å; I528-A531 PolarHBondContact O-N 3.38Å; A531-G534 PolarHBondContact O-N 2.93Å; A531-I535 WeakPolarHBondContact O-CG1 3.37Å; A531-I535 PolarHBondContact O-N 3.4Å
532I92Very high88Confident0 Ų034.3 Ų34.30%016%0.164CC..Hα-helixtrans-62.1-49.1174.3-69.1168.4000110.4L495 L518 I521 I528 L529 G534 I535 Y536 Y559L495-I532 HydrophobicContact CD1-CG1 4.09Å; L495-I532 HydrophobicContact CD2-CG1 4.45Å; L518-I532 HydrophobicContact CB-CG2 4.44Å; L518-I532 HydrophobicContact CD2-CG1 4.39Å; I521-I532 HydrophobicContact CB-CD1 4.19Å; I521-I532 HydrophobicContact CD1-CD1 4.4Å; I521-I532 HydrophobicContact CG2-CD1 4.18Å; I528-I532 HydrophobicContact CG2-CD1 3.79Å; I528-I532 HydrophobicContact CG2-CG1 4.36Å; I528-I532 VanDerWaalsContact O-CG1 3.31Å; I528-I532 WeakPolarHBondContact O-CG1 3.35Å; I528-I532 PolarHBondContact O-N 3.22Å; L529-I532 PolarHBondContact O-N 3.41Å; I532-G534 PolarHBondContact O-N 2.85Å; I532-I535 PolarHBondContact O-N 2.95Å; I532-Y536 HydrophobicContact CG2-CD2 3.74Å; I532-Y536 HydrophobicContact CG2-CE2 3.62Å; I532-Y536 VanDerWaalsContact O-CD2 3.32Å; I532-Y536 WeakPolarHBondContact O-CD2 3.46Å; I532-Y536 PolarHBondContact O-N 3.34Å; I532-Y559 HydrophobicContact CG2-CE1 4.16Å
533L91.2Very high87.2Confident10 Ų1033.6 Ų33.65%0.05216%0.164CC..Hα-helixtrans-55.5-42.3175-176.674.2000111.4L529 I530 Y536 R537 L560 A576 Y577 L580L529-L533 WeakPolarHBondContact O-CB 3.36Å; L529-L533 PolarHBondContact O-N 2.8Å; I530-L533 HydrophobicContact CD1-CD2 4.03Å; L533-Y536 PolarHBondContact O-N 3.42Å; L533-R537 WeakPolarHBondContact O-CB 3.49Å; L533-R537 PolarHBondContact O-N 3.18Å; L533-L560 HydrophobicContact CD1-CD2 4.42Å; L533-A576 HydrophobicContact CD2-CB 3.68Å; L533-Y577 HydrophobicContact CB-CE2 4.25Å; L533-Y577 HydrophobicContact CD1-CD1 3.74Å; L533-Y577 HydrophobicContact CD1-CD2 4.3Å; L533-Y577 HydrophobicContact CD1-CE1 3.83Å; L533-Y577 HydrophobicContact CD1-CE2 4.38Å; L533-Y577 HydrophobicContact CD1-CG 3.98Å; L533-Y577 HydrophobicContact CD2-CD2 3.77Å; L533-Y577 HydrophobicContact CD2-CE2 3.98Å; L533-Y577 HydrophobicContact CD2-CG 4.12Å; L533-Y577 HydrophobicContact CG-CE2 4.43Å; L533-L580 HydrophobicContact CD1-CB 4.24Å; L533-L580 HydrophobicContact CD1-CD2 3.49Å; L533-L580 VanDerWaalsContact CD1-CD2 3.49Å; L533-L580 HydrophobicContact CD1-CG 4.5Å; L533-L580 HydrophobicContact CG-CD2 4.2Å
534G89.7Confident86.5Confident1 Ų140.9 Ų40.91%0.0119%0.194CC..Hα-helixtrans-58.3-50.5175.700000112.4I530 A531 I532 Y536 R537 L538I530-G534 PolarHBondContact O-N 2.92Å; A531-G534 PolarHBondContact O-N 2.93Å; I532-G534 PolarHBondContact O-N 2.85Å; G534-Y536 VanDerWaalsContact C-N 3.34Å; G534-Y536 PolarHBondContact O-N 3.23Å; G534-R537 WeakPolarHBondContact O-CB 3.36Å; G534-R537 PolarHBondContact O-N 2.73Å; G534-R537 VanDerWaalsContact O-N 3.13Å; G534-L538 WeakPolarHBondContact O-CD1 3.4Å; G534-L538 PolarHBondContact O-N 2.94Å
535I90.6Very high85.8Confident0 Ų034.4 Ų34.40%017%0.17CC..Hα-helixtrans-63.1-39.9178.9-59.8162.8000111.3L495 I498 L502 I514 L518 A531 I532 R537 L538 A539 M630L495-I535 HydrophobicContact CB-CD1 4.14Å; L495-I535 HydrophobicContact CD2-CD1 3.75Å; I498-I535 HydrophobicContact CG2-CD1 4.47Å; L502-I535 HydrophobicContact CD1-CG2 4.24Å; L502-I535 HydrophobicContact CD2-CG2 4.31Å; I514-I535 HydrophobicContact CG2-CG2 4.42Å; L518-I535 HydrophobicContact CD1-CB 4.05Å; L518-I535 HydrophobicContact CD1-CG2 3.8Å; L518-I535 HydrophobicContact CD2-CD1 3.86Å; A531-I535 WeakPolarHBondContact O-CG1 3.37Å; A531-I535 PolarHBondContact O-N 3.4Å; I532-I535 PolarHBondContact O-N 2.95Å; I535-R537 VanDerWaalsContact C-N 3.34Å; I535-R537 PolarHBondContact O-N 3.45Å; I535-L538 PolarHBondContact O-N 3.15Å; I535-A539 WeakPolarHBondContact O-CB 3.12Å; I535-A539 PolarHBondContact O-N 3.23Å; I535-M630 HydrophobicContact CG1-SD 4.38Å
536Y90.6Very high84.9Confident0 Ų030.7 Ų30.70%016%0.158CC..Hα-helixtrans-61.9-40.7173.4-84.3-68.7000112.4L515 L518 I532 L533 G534 A539 F540 V556 Y559 L560L515-Y536 HydrophobicContact CB-CE1 4.46Å; L515-Y536 HydrophobicContact CD1-CE1 4.4Å; L515-Y536 HydrophobicContact CD2-CD1 3.88Å; L515-Y536 HydrophobicContact CD2-CE1 3.65Å; L515-Y536 HydrophobicContact CG-CE1 4.37Å; L515-Y536 PolarHBondContact O-OH 3.17Å; L518-Y536 HydrophobicContact CB-CE2 4.11Å; L518-Y536 HydrophobicContact CD1-CD2 4.05Å; L518-Y536 HydrophobicContact CD1-CE2 3.77Å; I532-Y536 HydrophobicContact CG2-CD2 3.74Å; I532-Y536 HydrophobicContact CG2-CE2 3.62Å; I532-Y536 VanDerWaalsContact O-CD2 3.32Å; I532-Y536 WeakPolarHBondContact O-CD2 3.46Å; I532-Y536 PolarHBondContact O-N 3.34Å; L533-Y536 PolarHBondContact O-N 3.42Å; G534-Y536 VanDerWaalsContact C-N 3.34Å; G534-Y536 PolarHBondContact O-N 3.23Å; Y536-A539 PolarHBondContact O-N 3.48Å; Y536-F540 VanDerWaalsContact O-CB 3.23Å; Y536-F540 WeakPolarHBondContact O-CB 3.35Å; Y536-F540 PolarHBondContact O-N 3.23Å; Y536-V556 HydrophobicContact CD1-CG1 3.6Å; Y536-V556 HydrophobicContact CD1-CG2 4.42Å; Y536-V556 HydrophobicContact CE1-CB 4.3Å; Y536-V556 HydrophobicContact CE1-CG1 3.68Å; Y536-V556 HydrophobicContact CE1-CG2 3.92Å; Y536-V556 HydrophobicContact CG-CG1 4.47Å; Y536-Y559 AromaticContact CE2-CD1 3.9Å; Y536-Y559 HydrophobicContact CE2-CD1 3.9Å; Y536-Y559 AromaticContact CE2-CE1 3.94Å; Y536-Y559 HydrophobicContact CE2-CE1 3.94Å; Y536-L560 HydrophobicContact CD2-CD1 4.48Å; Y536-L560 HydrophobicContact CD2-CD2 3.73Å; Y536-L560 HydrophobicContact CD2-CG 4.4Å; Y536-L560 HydrophobicContact CE2-CD2 4.09Å; Y536-L560 HydrophobicContact CG-CD1 4.21Å; Y536-L560 HydrophobicContact CG-CD2 4.27Å
537R90Very high84.5Confident31 Ų3129.6 Ų29.612%0.11715%0.15CC..Hα-helixtrans-64.6-45.7175.4-173.3170-168-169.41.2112L533 G534 I535 F540 S541 L580L533-R537 WeakPolarHBondContact O-CB 3.49Å; L533-R537 PolarHBondContact O-N 3.18Å; G534-R537 WeakPolarHBondContact O-CB 3.36Å; G534-R537 PolarHBondContact O-N 2.73Å; G534-R537 VanDerWaalsContact O-N 3.13Å; I535-R537 VanDerWaalsContact C-N 3.34Å; I535-R537 PolarHBondContact O-N 3.45Å; R537-F540 PolarHBondContact O-N 3.39Å; R537-S541 WeakPolarHBondContact O-CB 3.41Å; R537-S541 PolarHBondContact O-N 3.28Å; R537-S541 PolarHBondContact O-OG 3.42Å; R537-L580 HydrophobicContact CB-CD1 3.94Å; R537-L580 HydrophobicContact CB-CD2 4.05Å; R537-L580 HydrophobicContact CG-CD1 3.88Å
538L86.9Confident84.2Confident1 Ų130.4 Ų30.41%0.00516%0.158CC..Hα-helixtrans-56.3-51.5173.9-91.866.1000111.3G499 L502 G534 I535 F540 S541 H542 C626 L629 M630 I633G499-L538 VanDerWaalsContact O-CD2 3.23Å; G499-L538 WeakPolarHBondContact O-CD2 3.37Å; L502-L538 HydrophobicContact CD2-CB 3.79Å; L502-L538 HydrophobicContact CD2-CD2 4.46Å; G534-L538 WeakPolarHBondContact O-CD1 3.4Å; G534-L538 PolarHBondContact O-N 2.94Å; I535-L538 PolarHBondContact O-N 3.15Å; L538-F540 PolarHBondContact O-N 3.25Å; L538-S541 PolarHBondContact O-N 3.47Å; L538-H542 WeakPolarHBondContact O-CB 2.93Å; L538-H542 PolarHBondContact O-N 3.09Å; L538-C626 HydrophobicContact CD2-CB 3.52Å; L538-C626 HydrophobicContact CG-CB 4.04Å; L538-L629 HydrophobicContact CD1-CB 4.18Å; L538-L629 HydrophobicContact CD1-CD2 3.66Å; L538-L629 HydrophobicContact CD1-CG 4.01Å; L538-L629 HydrophobicContact CG-CD2 4.04Å; L538-M630 HydrophobicContact CD1-CB 4.46Å; L538-M630 HydrophobicContact CD1-SD 4.09Å; L538-M630 HydrophobicContact CD2-CB 4.05Å; L538-M630 HydrophobicContact CD2-SD 4.09Å; L538-I633 HydrophobicContact CD1-CD1 3.56Å
539A87.7Confident83.7Confident0 Ų032.7 Ų32.70%017%0.166CC..Hα-helixtrans-63.4-29.1-179.500000113.5L502 V510 L515 I535 Y536 I547L502-A539 HydrophobicContact CD2-CB 4.11Å; V510-A539 HydrophobicContact CG1-CB 4.04Å; L515-A539 HydrophobicContact CD2-CB 4.29Å; I535-A539 WeakPolarHBondContact O-CB 3.12Å; I535-A539 PolarHBondContact O-N 3.23Å; Y536-A539 PolarHBondContact O-N 3.48Å; A539-I547 HydrophobicContact CB-CD1 4.17Å; A539-I547 HydrophobicContact CB-CG1 4.31Å
540F86.5Confident83.4Confident37 Ų3738.2 Ų38.216%0.16219%0.192CC..Hα-helixtrans-81.7-46.2177.9178.5-111.4000112.8Y536 R537 L538 I547 L552 L580 D583 M584 Y587Y536-F540 VanDerWaalsContact O-CB 3.23Å; Y536-F540 WeakPolarHBondContact O-CB 3.35Å; Y536-F540 PolarHBondContact O-N 3.23Å; R537-F540 PolarHBondContact O-N 3.39Å; L538-F540 PolarHBondContact O-N 3.25Å; F540-I547 HydrophobicContact CB-CD1 4.12Å; F540-L552 HydrophobicContact CE2-CD2 4.43Å; F540-L580 HydrophobicContact CD1-CD1 4.15Å; F540-D583 HydrophobicContact CE1-CB 4.12Å; F540-M584 HydrophobicContact CB-CE 3.85Å; F540-M584 HydrophobicContact CD1-CE 4.48Å; F540-M584 HydrophobicContact CD1-CG 4.27Å; F540-M584 HydrophobicContact CD2-CE 4.26Å; F540-M584 HydrophobicContact CD2-CG 4.11Å; F540-M584 HydrophobicContact CE1-CG 4.16Å; F540-M584 HydrophobicContact CE2-CG 4Å; F540-M584 HydrophobicContact CG-CE 3.95Å; F540-M584 HydrophobicContact CG-CG 4.24Å; F540-M584 HydrophobicContact CZ-CG 4.02Å; F540-Y587 AromaticContact CE2-CD1 3.62Å; F540-Y587 HydrophobicContact CE2-CD1 3.62Å; F540-Y587 HydrophobicContact CE2-CE1 4.33Å; F540-Y587 AromaticContact CE2-CG 3.87Å; F540-Y587 HydrophobicContact CE2-CG 3.87Å; F540-Y587 HydrophobicContact CZ-CD1 4.23Å; F540-Y587 HydrophobicContact CZ-CG 4.01Å
541S81.5Confident83Confident74 Ų7439.6 Ų39.652%0.51720%0.198SC..Hα-helixtrans-80-18.4-176-61.30000114.4R537 L538R537-S541 WeakPolarHBondContact O-CB 3.41Å; R537-S541 PolarHBondContact O-N 3.28Å; R537-S541 PolarHBondContact O-OG 3.42Å; L538-S541 PolarHBondContact O-N 3.47Å
542H78.1Confident82.8Confident50 Ų5039.6 Ų39.623%0.23120%0.198CC..  trans-82.2119.2-176.6-173.2-90.9000112.5D503 L538 K544 L545 G546D503-H542 IonicContact OD1-CD2 3.01Å; D503-H542 IonicContact OD1-NE2 2.72Å; L538-H542 WeakPolarHBondContact O-CB 2.93Å; L538-H542 PolarHBondContact O-N 3.09Å; H542-K544 PolarHBondContact ND1-N 3Å; H542-K544 PolarHBondContact O-N 3.26Å; H542-L545 HydrophobicContact CB-CB 4.28Å; H542-L545 HydrophobicContact CB-CD1 4.13Å; H542-L545 HydrophobicContact CB-CG 4.32Å; H542-L545 PolarHBondContact O-N 3.11Å; H542-G546 PolarHBondContact O-N 3.13Å
543E68.4Low82.6Confident188 Ų18841.3 Ų41.388%0.87921%0.212SC*.THydrogen-bonded Turntrans-45.4-41.9-174.7-61.7-179.9164.700114.3
544K69.4Low82.5Confident165 Ų16546.7 Ų46.772%0.71724%0.241SC*.THydrogen-bonded Turntrans-84.2-19.7-175.9-53.8-179.2-178.2173.10114.3H542H542-K544 PolarHBondContact ND1-N 3Å; H542-K544 PolarHBondContact O-N 3.26Å
545L71.7Confident82.4Confident5 Ų551.5 Ų51.53%0.02626%0.262CS..THydrogen-bonded Turntrans-93.6-42.5-173.4-68.3178.7000112.1L502 L505 K507 V510 H542L502-L545 HydrophobicContact CB-CD1 4.41Å; L502-L545 HydrophobicContact CD2-CD1 3.69Å; L502-L545 HydrophobicContact CG-CD1 3.72Å; L505-L545 WeakPolarHBondContact O-CD2 2.97Å; K507-L545 VanDerWaalsContact CD-O 3.24Å; K507-L545 WeakPolarHBondContact CD-O 3.45Å; K507-L545 WeakPolarHBondContact CE-O 3.26Å; K507-L545 VanDerWaalsContact CG-O 3.3Å; K507-L545 WeakPolarHBondContact CG-O 2.99Å; V510-L545 HydrophobicContact CB-CD2 4.25Å; V510-L545 HydrophobicContact CG2-CD1 4.4Å; V510-L545 HydrophobicContact CG2-CD2 3.7Å; H542-L545 HydrophobicContact CB-CB 4.28Å; H542-L545 HydrophobicContact CB-CD1 4.13Å; H542-L545 HydrophobicContact CB-CG 4.32Å; H542-L545 PolarHBondContact O-N 3.11Å
546G69.9Low82.3Confident20 Ų2051.5 Ų51.521%0.20626%0.262CS..  trans25.596.2171.600000116.9K507 H542 S548K507-G546 WeakPolarHBondContact CE-O 3.31Å; K507-G546 PolarHBondContact NZ-O 2.89Å; H542-G546 PolarHBondContact O-N 3.13Å; G546-S548 PolarHBondContact O-N 3.23Å
547I78.5Confident82.2Confident4 Ų452.1 Ų52.12%0.02127%0.265CS..  trans-59.6129.4179-54.1178.6000110.8L515 A539 F540 K551 L552 V556 M584L515-I547 HydrophobicContact CD1-CD1 4.03Å; L515-I547 HydrophobicContact CD1-CG1 4.15Å; L515-I547 HydrophobicContact CD1-CG2 4.33Å; A539-I547 HydrophobicContact CB-CD1 4.17Å; A539-I547 HydrophobicContact CB-CG1 4.31Å; F540-I547 HydrophobicContact CB-CD1 4.12Å; I547-K551 HydrophobicContact CG2-CB 4.16Å; I547-L552 HydrophobicContact CG2-CB 4.26Å; I547-L552 HydrophobicContact CG2-CD1 4.43Å; I547-V556 HydrophobicContact CG2-CG2 4.17Å; I547-M584 HydrophobicContact CD1-CE 4.49Å
548S80.7Confident82.3Confident50 Ų5054.1 Ų54.135%0.3528%0.282SS..  trans-67142.7178.472.60000112.5G546 E550 K551 L552G546-S548 PolarHBondContact O-N 3.23Å; S548-E550 PolarHBondContact O-N 3.38Å; S548-E550 VanDerWaalsContact O-N 3.13Å; S548-K551 WeakPolarHBondContact O-CB 3.41Å; S548-K551 PolarHBondContact O-N 3.29Å; S548-K551 WeakPolarHBondContact OG-CB 3.45Å; S548-L552 PolarHBondContact O-N 3.18Å
549R82.1Confident82.4Confident47 Ų4756.2 Ų56.218%0.17729%0.29CS..Hα-helixtrans-45.7-43.6178.5-168.1-169.772.1159.214.4113.8L552 A553 L588 E591R549-L552 WeakPolarHBondContact O-CB 3.32Å; R549-L552 PolarHBondContact O-N 3.26Å; R549-A553 PolarHBondContact O-N 3.27Å; R549-L588 HydrophobicContact CG-CD1 3.59Å; R549-L588 WeakPolarHBondContact O-CD1 3.5Å; R549-E591 HydrophobicContact CG-CB 4.03Å
550E83.5Confident82.6Confident117 Ų11756.2 Ų56.255%0.54729%0.29SS..Hα-helixtrans-70.4-38.1-179.7-69.7166.4-164.100112.7S548 N554S548-E550 PolarHBondContact O-N 3.38Å; S548-E550 VanDerWaalsContact O-N 3.13Å; E550-N554 WeakPolarHBondContact O-CB 3.4Å; E550-N554 PolarHBondContact O-N 2.93Å; E550-N554 PolarHBondContact O-ND2 2.9Å
551K84.2Confident82.8Confident31 Ų3158 Ų5814%0.13530%0.301CS..Hα-helixtrans-70-38174.7-156.288.2165.3-153.10110.6M511 D512 I547 S548 K555 V556M511-K551 WeakPolarHBondContact O-CE 3.4Å; M511-K551 PolarHBondContact O-NZ 2.8Å; D512-K551 IonicContact OD1-NZ 2.62Å; D512-K551 PolarHBondContact OD1-NZ 3.42Å; I547-K551 HydrophobicContact CG2-CB 4.16Å; S548-K551 WeakPolarHBondContact O-CB 3.41Å; S548-K551 PolarHBondContact O-N 3.29Å; S548-K551 WeakPolarHBondContact OG-CB 3.45Å; K551-K555 HydrophobicContact CD-CD 4.29Å; K551-K555 WeakPolarHBondContact O-CA 3.28Å; K551-K555 PolarHBondContact O-N 3.26Å; K551-V556 PolarHBondContact O-N 3.32Å
552L86.4Confident83.3Confident0 Ų057.8 Ų57.80%030%0.297CS..Iπ-helixtrans-59.7-53.4177.9-169.965.8000111.1F540 I547 S548 R549 V556 L557 M584 Y587 L588F540-L552 HydrophobicContact CE2-CD2 4.43Å; I547-L552 HydrophobicContact CG2-CB 4.26Å; I547-L552 HydrophobicContact CG2-CD1 4.43Å; S548-L552 PolarHBondContact O-N 3.18Å; R549-L552 WeakPolarHBondContact O-CB 3.32Å; R549-L552 PolarHBondContact O-N 3.26Å; L552-V556 HydrophobicContact CD1-CB 4.1Å; L552-V556 HydrophobicContact CD1-CG1 4.11Å; L552-V556 PolarHBondContact O-N 3.49Å; L552-L557 HydrophobicContact CG-CD1 4.26Å; L552-L557 HydrophobicContact CG-CG 4.48Å; L552-L557 PolarHBondContact O-N 3.1Å; L552-M584 HydrophobicContact CD1-CB 4.11Å; L552-M584 HydrophobicContact CD1-CE 4.26Å; L552-M584 HydrophobicContact CD1-CG 3.89Å; L552-M584 HydrophobicContact CD1-SD 3.76Å; L552-M584 HydrophobicContact CD2-CB 4.46Å; L552-Y587 HydrophobicContact CD2-CD1 3.74Å; L552-Y587 HydrophobicContact CD2-CE1 4.32Å; L552-L588 HydrophobicContact CB-CD1 4.42Å; L552-L588 HydrophobicContact CD2-CB 4.2Å; L552-L588 HydrophobicContact CD2-CD1 4.17Å
553A87.3Confident83.8Confident37 Ų3755.7 Ų55.731%0.30629%0.288SS..Iπ-helixtrans-67.9-45.4178.700000113.7R549 P558 L588R549-A553 PolarHBondContact O-N 3.27Å; A553-P558 WeakPolarHBondContact O-CD 3.15Å; A553-P558 WeakPolarHBondContact O-CG 3.05Å; A553-L588 HydrophobicContact CB-CD1 3.93Å; A553-L588 HydrophobicContact CB-CD2 4.13Å
554N88.7Confident84.8Confident122 Ų12247.5 Ų47.565%0.65225%0.252SS*.Iπ-helixtrans-89.7-18.4-169.7-64.8-43.4000114.6E550E550-N554 WeakPolarHBondContact O-CB 3.4Å; E550-N554 PolarHBondContact O-N 2.93Å; E550-N554 PolarHBondContact O-ND2 2.9Å
555K86.5Confident85.8Confident102 Ų10246.1 Ų46.144%0.44325%0.25SS..Iπ-helixtrans-133.4-39.4-174.8-60.5-159.9-179.7-164.60114.7Q519 K551 Y559Q519-K555 PolarHBondContact NE2-O 3.4Å; K551-K555 HydrophobicContact CD-CD 4.29Å; K551-K555 WeakPolarHBondContact O-CA 3.28Å; K551-K555 PolarHBondContact O-N 3.26Å; K555-Y559 VanDerWaalsContact O-CB 3.32Å; K555-Y559 WeakPolarHBondContact O-CB 3.38Å
556V88.6Confident86.6Confident1 Ų148.1 Ų48.11%0.00626%0.26CS..Iπ-helixtrans-81.3-57.5-173.5-179.70000111.9L515 Y536 I547 K551 L552 Y559 L560 M584L515-V556 HydrophobicContact CD1-CG2 4.31Å; Y536-V556 HydrophobicContact CD1-CG1 3.6Å; Y536-V556 HydrophobicContact CD1-CG2 4.42Å; Y536-V556 HydrophobicContact CE1-CB 4.3Å; Y536-V556 HydrophobicContact CE1-CG1 3.68Å; Y536-V556 HydrophobicContact CE1-CG2 3.92Å; Y536-V556 HydrophobicContact CG-CG1 4.47Å; I547-V556 HydrophobicContact CG2-CG2 4.17Å; K551-V556 PolarHBondContact O-N 3.32Å; L552-V556 HydrophobicContact CD1-CB 4.1Å; L552-V556 HydrophobicContact CD1-CG1 4.11Å; L552-V556 PolarHBondContact O-N 3.49Å; V556-Y559 PolarHBondContact O-N 3.08Å; V556-Y559 VanDerWaalsContact O-N 3.09Å; V556-L560 HydrophobicContact CG1-CD1 3.73Å; V556-L560 HydrophobicContact CG1-CG 4.3Å; V556-L560 PolarHBondContact O-N 3.36Å; V556-M584 HydrophobicContact CG1-CE 4.04Å; V556-M584 HydrophobicContact CG1-SD 4Å
557L90.2Very high87.5Confident12 Ų1253 Ų536%0.06329%0.291CS..Hα-helixtrans-60.2-44.3178.8-75.3167.6000112.7L552 Y559 L560 I561 I581 M584 L588L552-L557 HydrophobicContact CG-CD1 4.26Å; L552-L557 HydrophobicContact CG-CG 4.48Å; L552-L557 PolarHBondContact O-N 3.1Å; L557-Y559 PolarHBondContact O-N 2.95Å; L557-Y559 VanDerWaalsContact O-N 3.13Å; L557-L560 PolarHBondContact O-N 2.63Å; L557-I561 HydrophobicContact CB-CD1 4.3Å; L557-I561 WeakPolarHBondContact O-CB 3.48Å; L557-I561 VanDerWaalsContact O-CG1 3.31Å; L557-I561 WeakPolarHBondContact O-CG1 3.48Å; L557-I561 PolarHBondContact O-N 2.75Å; L557-I581 HydrophobicContact CD2-CG2 4.29Å; L557-M584 HydrophobicContact CD2-CB 3.9Å; L557-M584 HydrophobicContact CD2-SD 4.35Å; L557-M584 HydrophobicContact CG-CB 4.46Å; L557-L588 HydrophobicContact CD1-CD2 4.11Å
558P91Very high87.9Confident74 Ų7455 Ų5548%0.48131%0.305SS..Hα-helixtrans-62.3-18.9175-25.136.1000114.6A553 P562A553-P558 WeakPolarHBondContact O-CD 3.15Å; A553-P558 WeakPolarHBondContact O-CG 3.05Å; P558-P562 WeakPolarHBondContact O-CD 3.39Å; P558-P562 WeakPolarHBondContact O-CG 3.24Å
559Y90.1Very high88.2Confident45 Ų4553.9 Ų53.918%0.17630%0.295CS..Hα-helixtrans-91.2-41.8174.9179.9-108.5000112.3L518 Q519 I532 Y536 K555 V556 L557 L563L518-Y559 PolarHBondContact O-OH 3.33Å; L518-Y559 VanDerWaalsContact O-OH 3.06Å; Q519-Y559 HydrophobicContact CB-CD2 4.32Å; Q519-Y559 HydrophobicContact CB-CE2 4.22Å; Q519-Y559 HydrophobicContact CG-CD1 4Å; Q519-Y559 HydrophobicContact CG-CD2 4.02Å; Q519-Y559 HydrophobicContact CG-CE1 4.23Å; Q519-Y559 HydrophobicContact CG-CE2 4.25Å; Q519-Y559 HydrophobicContact CG-CG 3.89Å; I532-Y559 HydrophobicContact CG2-CE1 4.16Å; Y536-Y559 AromaticContact CE2-CD1 3.9Å; Y536-Y559 HydrophobicContact CE2-CD1 3.9Å; Y536-Y559 AromaticContact CE2-CE1 3.94Å; Y536-Y559 HydrophobicContact CE2-CE1 3.94Å; K555-Y559 VanDerWaalsContact O-CB 3.32Å; K555-Y559 WeakPolarHBondContact O-CB 3.38Å; V556-Y559 PolarHBondContact O-N 3.08Å; V556-Y559 VanDerWaalsContact O-N 3.09Å; L557-Y559 PolarHBondContact O-N 2.95Å; L557-Y559 VanDerWaalsContact O-N 3.13Å; Y559-L563 HydrophobicContact CD1-CD1 4.14Å; Y559-L563 HydrophobicContact CE1-CD1 3.63Å; Y559-L563 HydrophobicContact CE2-CD1 4.37Å; Y559-L563 WeakPolarHBondContact O-CG 3.44Å
560L91Very high88.5Confident0 Ų054.1 Ų54.10%030%0.3CS..Hα-helixtrans-73.6-34.8-178.3-70.5178000113.7L533 Y536 V556 L557 L563 S564 Y577 L580 M584L533-L560 HydrophobicContact CD1-CD2 4.42Å; Y536-L560 HydrophobicContact CD2-CD1 4.48Å; Y536-L560 HydrophobicContact CD2-CD2 3.73Å; Y536-L560 HydrophobicContact CD2-CG 4.4Å; Y536-L560 HydrophobicContact CE2-CD2 4.09Å; Y536-L560 HydrophobicContact CG-CD1 4.21Å; Y536-L560 HydrophobicContact CG-CD2 4.27Å; V556-L560 HydrophobicContact CG1-CD1 3.73Å; V556-L560 HydrophobicContact CG1-CG 4.3Å; V556-L560 PolarHBondContact O-N 3.36Å; L557-L560 PolarHBondContact O-N 2.63Å; L560-L563 PolarHBondContact O-N 2.85Å; L560-S564 PolarHBondContact O-N 3.36Å; L560-S564 VanDerWaalsContact O-N 3.17Å; L560-Y577 HydrophobicContact CD2-CE1 4.17Å; L560-L580 HydrophobicContact CD1-CD2 4.29Å; L560-M584 HydrophobicContact CD1-CE 4.11Å; L560-M584 HydrophobicContact CD1-SD 3.79Å
561I91.8Very high88.8Confident74 Ų7455.2 Ų55.238%0.37931%0.309SS..Hα-helixtrans-63.3-47.4-178.4-68.5165.2000111.8L557 L563 S564 I581L557-I561 HydrophobicContact CB-CD1 4.3Å; L557-I561 WeakPolarHBondContact O-CB 3.48Å; L557-I561 VanDerWaalsContact O-CG1 3.31Å; L557-I561 WeakPolarHBondContact O-CG1 3.48Å; L557-I561 PolarHBondContact O-N 2.75Å; I561-L563 VanDerWaalsContact C-N 3.25Å; I561-L563 PolarHBondContact O-N 3.05Å; I561-S564 PolarHBondContact O-N 3.37Å; I561-S564 PolarHBondContact O-OG 3.12Å; I561-I581 HydrophobicContact CG1-CD1 4.14Å; I561-I581 HydrophobicContact CG1-CG2 4.25Å
562P91.1Very high89Confident69 Ų6958.9 Ų58.945%0.44833%0.325SS..Hα-helixtrans-61.6-29.9174.2-26.636.1000114.3P558P558-P562 WeakPolarHBondContact O-CD 3.39Å; P558-P562 WeakPolarHBondContact O-CG 3.24Å
563L89.2Confident89.2Confident7 Ų759.3 Ų59.34%0.03733%0.327CS..Hα-helixtrans-74-25.8178.2-64.8-179.4000113L529 Y559 L560 I561 I565 E566 L569 Y577L529-L563 HydrophobicContact CD2-CD1 4.15Å; L529-L563 HydrophobicContact CD2-CD2 3.8Å; L529-L563 HydrophobicContact CD2-CG 4.38Å; Y559-L563 HydrophobicContact CD1-CD1 4.14Å; Y559-L563 HydrophobicContact CE1-CD1 3.63Å; Y559-L563 HydrophobicContact CE2-CD1 4.37Å; Y559-L563 WeakPolarHBondContact O-CG 3.44Å; L560-L563 PolarHBondContact O-N 2.85Å; I561-L563 VanDerWaalsContact C-N 3.25Å; I561-L563 PolarHBondContact O-N 3.05Å; L563-I565 PolarHBondContact O-N 2.6Å; L563-E566 WeakPolarHBondContact O-CB 3.42Å; L563-E566 PolarHBondContact O-N 3.32Å; L563-L569 WeakPolarHBondContact O-CD1 3.33Å; L563-Y577 HydrophobicContact CB-CE1 3.72Å
564S89.4Confident89.4Confident16 Ų1663.2 Ų63.211%0.11233%0.334CS..THydrogen-bonded Turntrans-72.8-12.4179.8720000113.9L560 I561 Y574L560-S564 PolarHBondContact O-N 3.36Å; L560-S564 VanDerWaalsContact O-N 3.17Å; I561-S564 PolarHBondContact O-N 3.37Å; I561-S564 PolarHBondContact O-OG 3.12Å; S564-Y574 VanDerWaalsContact O-CD2 3.32Å; S564-Y574 WeakPolarHBondContact O-CD2 3.36Å
565I89.6Confident89.5Confident135 Ų13560.2 Ų60.269%0.69232%0.323SS*.THydrogen-bonded Turntrans-97.63.5-178.9-46175.5000110.8L563 S567L563-I565 PolarHBondContact O-N 2.6Å; I565-S567 PolarHBondContact O-N 3.28Å
566E89.3Confident89.7Confident47 Ų4755.7 Ų55.722%0.2231%0.305CS..  trans-66.2126.1-179.7-78.7-62.6166.500113.2R524 L529 L563 S568 L569R524-E566 VanDerWaalsContact CD-OE1 3.26Å; R524-E566 WeakPolarHBondContact CD-OE1 3.49Å; R524-E566 IonicContact CZ-OE1 3.15Å; R524-E566 IonicContact NE-OE1 3.36Å; R524-E566 PolarHBondContact NE-OE1 2.59Å; R524-E566 IonicContact NH1-OE1 2.66Å; R524-E566 PolarHBondContact NH1-OE1 2.95Å; L529-E566 HydrophobicContact CD1-CB 4.16Å; L529-E566 HydrophobicContact CD1-CG 4.19Å; L563-E566 WeakPolarHBondContact O-CB 3.42Å; L563-E566 PolarHBondContact O-N 3.32Å; E566-S568 PolarHBondContact O-N 3.06Å; E566-S568 VanDerWaalsContact O-N 3.08Å; E566-L569 HydrophobicContact CB-CD1 4.31Å; E566-L569 HydrophobicContact CB-CG 4.19Å; E566-L569 PolarHBondContact O-N 2.89Å
567S87.4Confident89.9Confident123 Ų12355.7 Ų55.786%0.8630%0.304SS*.THydrogen-bonded Turntrans-65.3-10.4-178.962.30000114.9I565I565-S567 PolarHBondContact O-N 3.28Å
568S87.3Confident89.9Confident47 Ų4756 Ų5633%0.32931%0.308SS..THydrogen-bonded Turntrans-83.2-9.8176.661.50000114.1R524 E566R524-S568 PolarHBondContact O-OG 2.68Å; E566-S568 PolarHBondContact O-N 3.06Å; E566-S568 VanDerWaalsContact O-N 3.08Å
569L87Confident90Very high26 Ų2654.2 Ų54.214%0.13630%0.298CS..  trans-83.4135.6-177.8-60.9177.7000112.2P526 L529 L563 E566 Q573 Y577P526-L569 HydrophobicContact CB-CD2 4.25Å; L529-L569 HydrophobicContact CB-CD2 4.21Å; L529-L569 HydrophobicContact CD1-CD2 3.86Å; L529-L569 HydrophobicContact CD1-CG 4.42Å; L563-L569 WeakPolarHBondContact O-CD1 3.33Å; E566-L569 HydrophobicContact CB-CD1 4.31Å; E566-L569 HydrophobicContact CB-CG 4.19Å; E566-L569 PolarHBondContact O-N 2.89Å; L569-Q573 HydrophobicContact CB-CB 4.25Å; L569-Q573 HydrophobicContact CD2-CB 4.17Å; L569-Y577 HydrophobicContact CD1-CD2 3.88Å; L569-Y577 HydrophobicContact CD1-CE2 3.95Å; L569-Y577 HydrophobicContact CD2-CE2 4.27Å
570N89.2Confident90Very high52 Ų5252.2 Ų52.228%0.27829%0.291SS..  trans-81.1169.2169.478.138.1000112.3K572 Q573 Y574N570-K572 VanDerWaalsContact C-N 3.32Å; N570-K572 PolarHBondContact O-N 3.16Å; N570-K572 WeakPolarHBondContact OD1-CB 3.46Å; N570-K572 PolarHBondContact OD1-N 3.13Å; N570-Q573 PolarHBondContact ND2-NE2 3.13Å; N570-Q573 WeakPolarHBondContact O-CB 3.41Å; N570-Q573 PolarHBondContact O-N 2.67Å; N570-Q573 VanDerWaalsContact OD1-CG 3.32Å; N570-Q573 WeakPolarHBondContact OD1-CG 3.26Å; N570-Q573 PolarHBondContact OD1-N 2.99Å; N570-Y574 PolarHBondContact O-N 3.16Å
571L89.2Confident90.1Very high139 Ų13953.5 Ų53.573%0.72830%0.297SS*.Hα-helixtrans-59.4-35.9-175.8-175.163.3000114.1S575L571-S575 WeakPolarHBondContact O-CB 3.48Å; L571-S575 PolarHBondContact O-N 3.25Å; L571-S575 PolarHBondContact O-OG 3.28Å
572K89.2Confident90.1Very high109 Ų10956.9 Ų56.947%0.47431%0.305SS..Hα-helixtrans-65.9-43.1175.3-57.8176.3-174.8168.10110.4N570 S575 A576 Y637 D639N570-K572 VanDerWaalsContact C-N 3.32Å; N570-K572 PolarHBondContact O-N 3.16Å; N570-K572 WeakPolarHBondContact OD1-CB 3.46Å; N570-K572 PolarHBondContact OD1-N 3.13Å; K572-S575 WeakPolarHBondContact O-CB 3.46Å; K572-S575 PolarHBondContact O-N 3.45Å; K572-A576 PolarHBondContact O-N 2.96Å; K572-Y637 HydrophobicContact CB-CD1 4.28Å; K572-D639 IonicContact NZ-OD1 3.71Å; K572-D639 PolarHBondContact NZ-OD1 3.13Å
573Q90.4Very high90.1Very high9 Ų956.7 Ų56.74%0.04230%0.3CS..Hα-helixtrans-67.3-45.4-178.7-67.8172-1400111.5I530 L569 N570 S575 A576 Y577 Y637I530-Q573 HydrophobicContact CD1-CB 3.77Å; I530-Q573 HydrophobicContact CD1-CG 3.74Å; I530-Q573 HydrophobicContact CG1-CB 4.21Å; I530-Q573 HydrophobicContact CG1-CG 3.77Å; L569-Q573 HydrophobicContact CB-CB 4.25Å; L569-Q573 HydrophobicContact CD2-CB 4.17Å; N570-Q573 PolarHBondContact ND2-NE2 3.13Å; N570-Q573 WeakPolarHBondContact O-CB 3.41Å; N570-Q573 PolarHBondContact O-N 2.67Å; N570-Q573 VanDerWaalsContact OD1-CG 3.32Å; N570-Q573 WeakPolarHBondContact OD1-CG 3.26Å; N570-Q573 PolarHBondContact OD1-N 2.99Å; Q573-S575 VanDerWaalsContact C-N 3.32Å; Q573-S575 PolarHBondContact O-N 2.87Å; Q573-A576 WeakPolarHBondContact O-CB 3.14Å; Q573-A576 PolarHBondContact O-N 3.37Å; Q573-Y577 PolarHBondContact O-N 3.47Å; Q573-Y577 VanDerWaalsContact O-N 3.15Å; Q573-Y637 PolarHBondContact NE2-O 3.32Å
574Y91.4Very high90.2Very high119 Ų11956.4 Ų56.447%0.46730%0.299SS..Hα-helixtrans-58.2-43.7171.3173.6-101.7000111.8S564 N570 A576 Y577 A578S564-Y574 VanDerWaalsContact O-CD2 3.32Å; S564-Y574 WeakPolarHBondContact O-CD2 3.36Å; N570-Y574 PolarHBondContact O-N 3.16Å; Y574-A576 VanDerWaalsContact C-N 3.27Å; Y574-A576 PolarHBondContact O-N 3.19Å; Y574-Y577 WeakPolarHBondContact O-CB 3.4Å; Y574-Y577 PolarHBondContact O-N 3.19Å; Y574-A578 HydrophobicContact CE1-CB 4.4Å; Y574-A578 WeakPolarHBondContact O-CB 3.33Å; Y574-A578 PolarHBondContact O-N 3.35Å
575S91.3Very high90.2Very high59 Ų5957.6 Ų57.641%0.41331%0.306SS..Hα-helixtrans-61.3-34.8177.8-60.40000112.6L571 K572 Q573 S579L571-S575 WeakPolarHBondContact O-CB 3.48Å; L571-S575 PolarHBondContact O-N 3.25Å; L571-S575 PolarHBondContact O-OG 3.28Å; K572-S575 WeakPolarHBondContact O-CB 3.46Å; K572-S575 PolarHBondContact O-N 3.45Å; Q573-S575 VanDerWaalsContact C-N 3.32Å; Q573-S575 PolarHBondContact O-N 2.87Å; S575-S579 WeakPolarHBondContact O-CB 3.49Å; S575-S579 PolarHBondContact O-N 3.21Å
576A90Very high90.3Very high7 Ų753.9 Ų53.96%0.05829%0.293CS..Hα-helixtrans-65.5-46.2174.100000112.3L533 K572 Q573 Y574 S579 L580 Y637L533-A576 HydrophobicContact CD2-CB 3.68Å; K572-A576 PolarHBondContact O-N 2.96Å; Q573-A576 WeakPolarHBondContact O-CB 3.14Å; Q573-A576 PolarHBondContact O-N 3.37Å; Y574-A576 VanDerWaalsContact C-N 3.27Å; Y574-A576 PolarHBondContact O-N 3.19Å; A576-S579 PolarHBondContact O-N 2.86Å; A576-L580 PolarHBondContact O-N 3.15Å; A576-L580 VanDerWaalsContact O-N 3.09Å; A576-Y637 HydrophobicContact CB-CD1 4.02Å; A576-Y637 HydrophobicContact CB-CD2 4.42Å; A576-Y637 HydrophobicContact CB-CE1 3.56Å; A576-Y637 HydrophobicContact CB-CE2 4.01Å; A576-Y637 HydrophobicContact CB-CG 4.43Å
577Y92.6Very high90.2Very high0 Ų054.4 Ų54.40%029%0.293CS..Hα-helixtrans-58.8-50.4172.9-92.3-87.6000111.3L529 I530 L533 L560 L563 L569 Q573 Y574 S579 L580 I581L529-Y577 HydrophobicContact CB-CE2 4.44Å; L529-Y577 WeakPolarHBondContact CB-OH 3.37Å; L529-Y577 PolarHBondContact O-OH 2.92Å; I530-Y577 HydrophobicContact CD1-CE2 4.46Å; L533-Y577 HydrophobicContact CB-CE2 4.25Å; L533-Y577 HydrophobicContact CD1-CD1 3.74Å; L533-Y577 HydrophobicContact CD1-CD2 4.3Å; L533-Y577 HydrophobicContact CD1-CE1 3.83Å; L533-Y577 HydrophobicContact CD1-CE2 4.38Å; L533-Y577 HydrophobicContact CD1-CG 3.98Å; L533-Y577 HydrophobicContact CD2-CD2 3.77Å; L533-Y577 HydrophobicContact CD2-CE2 3.98Å; L533-Y577 HydrophobicContact CD2-CG 4.12Å; L533-Y577 HydrophobicContact CG-CE2 4.43Å; L560-Y577 HydrophobicContact CD2-CE1 4.17Å; L563-Y577 HydrophobicContact CB-CE1 3.72Å; L569-Y577 HydrophobicContact CD1-CD2 3.88Å; L569-Y577 HydrophobicContact CD1-CE2 3.95Å; L569-Y577 HydrophobicContact CD2-CE2 4.27Å; Q573-Y577 PolarHBondContact O-N 3.47Å; Q573-Y577 VanDerWaalsContact O-N 3.15Å; Y574-Y577 WeakPolarHBondContact O-CB 3.4Å; Y574-Y577 PolarHBondContact O-N 3.19Å; Y577-S579 VanDerWaalsContact C-N 3.31Å; Y577-S579 PolarHBondContact O-N 3.13Å; Y577-L580 PolarHBondContact O-N 3.21Å; Y577-I581 WeakPolarHBondContact O-CB 3.44Å; Y577-I581 VanDerWaalsContact O-CG1 3.27Å; Y577-I581 WeakPolarHBondContact O-CG1 3.16Å; Y577-I581 PolarHBondContact O-N 3.19Å
578A91.2Very high90.3Very high18 Ų1850.5 Ų50.515%0.14926%0.262CS..Hα-helixtrans-62.4-35.8-178.700000112.6Y574 R582Y574-A578 HydrophobicContact CE1-CB 4.4Å; Y574-A578 WeakPolarHBondContact O-CB 3.33Å; Y574-A578 PolarHBondContact O-N 3.35Å; A578-R582 WeakPolarHBondContact O-CG 3.44Å; A578-R582 PolarHBondContact O-N 2.85Å; A578-R582 PolarHBondContact O-NH1 2.75Å
579S92.1Very high90.4Very high38 Ų3854 Ų5427%0.26627%0.273SS..Hα-helixtrans-65.4-54.7173.2-159.20000111.4S575 A576 Y577 I581 R582 D583S575-S579 WeakPolarHBondContact O-CB 3.49Å; S575-S579 PolarHBondContact O-N 3.21Å; A576-S579 PolarHBondContact O-N 2.86Å; Y577-S579 VanDerWaalsContact C-N 3.31Å; Y577-S579 PolarHBondContact O-N 3.13Å; S579-I581 VanDerWaalsContact C-N 3.28Å; S579-I581 PolarHBondContact O-N 2.69Å; S579-R582 WeakPolarHBondContact O-CB 3.42Å; S579-R582 PolarHBondContact O-N 3.09Å; S579-R582 VanDerWaalsContact O-N 3.08Å; S579-D583 PolarHBondContact O-N 3.07Å
580L91Very high90.5Very high3 Ų360.6 Ų60.62%0.01630%0.296CS..Hα-helixtrans-61.4-37.7-176.4-172.565.8000112.3L533 R537 F540 L560 A576 Y577 D583 M584L533-L580 HydrophobicContact CD1-CB 4.24Å; L533-L580 HydrophobicContact CD1-CD2 3.49Å; L533-L580 VanDerWaalsContact CD1-CD2 3.49Å; L533-L580 HydrophobicContact CD1-CG 4.5Å; L533-L580 HydrophobicContact CG-CD2 4.2Å; R537-L580 HydrophobicContact CB-CD1 3.94Å; R537-L580 HydrophobicContact CB-CD2 4.05Å; R537-L580 HydrophobicContact CG-CD1 3.88Å; F540-L580 HydrophobicContact CD1-CD1 4.15Å; L560-L580 HydrophobicContact CD1-CD2 4.29Å; A576-L580 PolarHBondContact O-N 3.15Å; A576-L580 VanDerWaalsContact O-N 3.09Å; Y577-L580 PolarHBondContact O-N 3.21Å; L580-D583 PolarHBondContact O-N 2.86Å; L580-M584 HydrophobicContact CD1-CE 4.07Å; L580-M584 HydrophobicContact CD2-CE 3.91Å; L580-M584 HydrophobicContact CG-CE 3.9Å; L580-M584 HydrophobicContact CG-CG 4.4Å; L580-M584 HydrophobicContact CG-SD 4.14Å; L580-M584 WeakPolarHBondContact O-CB 3.44Å; L580-M584 VanDerWaalsContact O-CG 3.25Å; L580-M584 WeakPolarHBondContact O-CG 3.41Å; L580-M584 PolarHBondContact O-N 3.09Å
581I92.4Very high90.4Very high26 Ų2661.6 Ų61.613%0.13330%0.3CS..Hα-helixtrans-63.9-43176.7-69.2165.9000110.7L557 I561 Y577 S579 M584 C585L557-I581 HydrophobicContact CD2-CG2 4.29Å; I561-I581 HydrophobicContact CG1-CD1 4.14Å; I561-I581 HydrophobicContact CG1-CG2 4.25Å; Y577-I581 WeakPolarHBondContact O-CB 3.44Å; Y577-I581 VanDerWaalsContact O-CG1 3.27Å; Y577-I581 WeakPolarHBondContact O-CG1 3.16Å; Y577-I581 PolarHBondContact O-N 3.19Å; S579-I581 VanDerWaalsContact C-N 3.28Å; S579-I581 PolarHBondContact O-N 2.69Å; I581-M584 PolarHBondContact O-N 2.6Å; I581-C585 WeakPolarHBondContact O-CB 3.42Å; I581-C585 PolarHBondContact O-N 2.71Å; I581-C585 PolarHBondContact O-SG 3.29Å
582R92.7Very high90.3Very high146 Ų14658.6 Ų58.655%0.55128%0.282SS*.Hα-helixtrans-61.3-48.7173.9-73.6-174.8-56-99.32.6111.5A578 S579 M584 C585 S586A578-R582 WeakPolarHBondContact O-CG 3.44Å; A578-R582 PolarHBondContact O-N 2.85Å; A578-R582 PolarHBondContact O-NH1 2.75Å; S579-R582 WeakPolarHBondContact O-CB 3.42Å; S579-R582 PolarHBondContact O-N 3.09Å; S579-R582 VanDerWaalsContact O-N 3.08Å; R582-M584 VanDerWaalsContact C-N 3.28Å; R582-M584 PolarHBondContact O-N 3.4Å; R582-C585 PolarHBondContact O-N 3.02Å; R582-C585 VanDerWaalsContact O-N 3.14Å; R582-S586 PolarHBondContact O-N 2.81Å; R582-S586 PolarHBondContact O-OG 2.85Å
583D90.2Very high90.1Very high65 Ų6562.1 Ų62.135%0.34829%0.294SS..Hα-helixtrans-58.6-41.9-179.1-55.5-24.8000111.2F540 S579 L580 Y587F540-D583 HydrophobicContact CE1-CB 4.12Å; S579-D583 PolarHBondContact O-N 3.07Å; L580-D583 PolarHBondContact O-N 2.86Å; D583-Y587 WeakPolarHBondContact O-CB 3.45Å; D583-Y587 PolarHBondContact O-N 3.28Å
584M90.4Very high89.9Confident0 Ų063.5 Ų63.50%031%0.306CS..Hα-helixtrans-67.7-41.5175.5-75.2-177.8170.600112.9F540 I547 L552 V556 L557 L560 L580 I581 R582 Y587 L588F540-M584 HydrophobicContact CB-CE 3.85Å; F540-M584 HydrophobicContact CD1-CE 4.48Å; F540-M584 HydrophobicContact CD1-CG 4.27Å; F540-M584 HydrophobicContact CD2-CE 4.26Å; F540-M584 HydrophobicContact CD2-CG 4.11Å; F540-M584 HydrophobicContact CE1-CG 4.16Å; F540-M584 HydrophobicContact CE2-CG 4Å; F540-M584 HydrophobicContact CG-CE 3.95Å; F540-M584 HydrophobicContact CG-CG 4.24Å; F540-M584 HydrophobicContact CZ-CG 4.02Å; I547-M584 HydrophobicContact CD1-CE 4.49Å; L552-M584 HydrophobicContact CD1-CB 4.11Å; L552-M584 HydrophobicContact CD1-CE 4.26Å; L552-M584 HydrophobicContact CD1-CG 3.89Å; L552-M584 HydrophobicContact CD1-SD 3.76Å; L552-M584 HydrophobicContact CD2-CB 4.46Å; V556-M584 HydrophobicContact CG1-CE 4.04Å; V556-M584 HydrophobicContact CG1-SD 4Å; L557-M584 HydrophobicContact CD2-CB 3.9Å; L557-M584 HydrophobicContact CD2-SD 4.35Å; L557-M584 HydrophobicContact CG-CB 4.46Å; L560-M584 HydrophobicContact CD1-CE 4.11Å; L560-M584 HydrophobicContact CD1-SD 3.79Å; L580-M584 HydrophobicContact CD1-CE 4.07Å; L580-M584 HydrophobicContact CD2-CE 3.91Å; L580-M584 HydrophobicContact CG-CE 3.9Å; L580-M584 HydrophobicContact CG-CG 4.4Å; L580-M584 HydrophobicContact CG-SD 4.14Å; L580-M584 WeakPolarHBondContact O-CB 3.44Å; L580-M584 VanDerWaalsContact O-CG 3.25Å; L580-M584 WeakPolarHBondContact O-CG 3.41Å; L580-M584 PolarHBondContact O-N 3.09Å; I581-M584 PolarHBondContact O-N 2.6Å; R582-M584 VanDerWaalsContact C-N 3.28Å; R582-M584 PolarHBondContact O-N 3.4Å; M584-Y587 PolarHBondContact O-N 3.01Å; M584-L588 WeakPolarHBondContact O-CB 3.49Å; M584-L588 PolarHBondContact O-N 2.97Å
585C91.1Very high89.5Confident41 Ų4162 Ų6228%0.27730%0.302SS..Hα-helixtrans-64.5-48175.4-730000111.5I581 R582 Y587 L588 E589I581-C585 WeakPolarHBondContact O-CB 3.42Å; I581-C585 PolarHBondContact O-N 2.71Å; I581-C585 PolarHBondContact O-SG 3.29Å; R582-C585 PolarHBondContact O-N 3.02Å; R582-C585 VanDerWaalsContact O-N 3.14Å; C585-Y587 VanDerWaalsContact C-N 3.25Å; C585-Y587 PolarHBondContact O-N 3.44Å; C585-L588 WeakPolarHBondContact O-CB 3.35Å; C585-L588 PolarHBondContact O-N 3.21Å; C585-L588 VanDerWaalsContact O-N 3.07Å; C585-E589 WeakPolarHBondContact O-CB 3.36Å; C585-E589 WeakPolarHBondContact O-CG 3.47Å; C585-E589 PolarHBondContact O-N 2.99Å
586S90.7Very high89.2Confident58 Ų5862.6 Ų62.641%0.40630%0.3SS..Hα-helixtrans-67.9-22.3178.1-60.10000113.5R582 R590R582-S586 PolarHBondContact O-N 2.81Å; R582-S586 PolarHBondContact O-OG 2.85Å; S586-R590 VanDerWaalsContact O-CG 3.29Å; S586-R590 WeakPolarHBondContact O-CG 3.24Å; S586-R590 PolarHBondContact O-N 3.46Å; S586-R590 PolarHBondContact O-NE 3.3Å
587Y88.4Confident88.9Confident58 Ų5868.7 Ų68.723%0.22733%0.327CS..Hα-helixtrans-74.8-45.4166176-105.2000112F540 L552 D583 M584 C585 E589 R590 E591F540-Y587 AromaticContact CE2-CD1 3.62Å; F540-Y587 HydrophobicContact CE2-CD1 3.62Å; F540-Y587 HydrophobicContact CE2-CE1 4.33Å; F540-Y587 AromaticContact CE2-CG 3.87Å; F540-Y587 HydrophobicContact CE2-CG 3.87Å; F540-Y587 HydrophobicContact CZ-CD1 4.23Å; F540-Y587 HydrophobicContact CZ-CG 4.01Å; L552-Y587 HydrophobicContact CD2-CD1 3.74Å; L552-Y587 HydrophobicContact CD2-CE1 4.32Å; D583-Y587 WeakPolarHBondContact O-CB 3.45Å; D583-Y587 PolarHBondContact O-N 3.28Å; M584-Y587 PolarHBondContact O-N 3.01Å; C585-Y587 VanDerWaalsContact C-N 3.25Å; C585-Y587 PolarHBondContact O-N 3.44Å; Y587-E589 VanDerWaalsContact C-N 3.3Å; Y587-E589 PolarHBondContact O-N 2.93Å; Y587-R590 PolarHBondContact O-N 3.13Å; Y587-E591 HydrophobicContact CD1-CG 4.26Å; Y587-E591 HydrophobicContact CD2-CG 4.07Å; Y587-E591 HydrophobicContact CE1-CG 3.78Å; Y587-E591 HydrophobicContact CE2-CG 3.5Å; Y587-E591 VanDerWaalsContact CE2-CG 3.5Å; Y587-E591 VanDerWaalsContact CE2-OE1 3.31Å; Y587-E591 WeakPolarHBondContact CE2-OE1 3.12Å; Y587-E591 HydrophobicContact CG-CG 4.41Å; Y587-E591 VanDerWaalsContact CZ-OE1 3.27Å; Y587-E591 WeakPolarHBondContact O-CB 3.44Å; Y587-E591 WeakPolarHBondContact O-CG 3.48Å; Y587-E591 PolarHBondContact O-N 3.49Å; Y587-E591 WeakPolarHBondContact OH-CG 3.49Å; Y587-E591 PolarHBondContact OH-OE1 2.98Å
588L89.3Confident88.3Confident41 Ų4176.4 Ų76.422%0.21536%0.364CS..Hα-helixtrans-58.5-42.4177.2-17176.3000111.9R549 L552 A553 L557 M584 C585 Q592R549-L588 HydrophobicContact CG-CD1 3.59Å; R549-L588 WeakPolarHBondContact O-CD1 3.5Å; L552-L588 HydrophobicContact CB-CD1 4.42Å; L552-L588 HydrophobicContact CD2-CB 4.2Å; L552-L588 HydrophobicContact CD2-CD1 4.17Å; A553-L588 HydrophobicContact CB-CD1 3.93Å; A553-L588 HydrophobicContact CB-CD2 4.13Å; L557-L588 HydrophobicContact CD1-CD2 4.11Å; M584-L588 WeakPolarHBondContact O-CB 3.49Å; M584-L588 PolarHBondContact O-N 2.97Å; C585-L588 WeakPolarHBondContact O-CB 3.35Å; C585-L588 PolarHBondContact O-N 3.21Å; C585-L588 VanDerWaalsContact O-N 3.07Å; L588-Q592 WeakPolarHBondContact O-CB 3.34Å; L588-Q592 PolarHBondContact O-N 2.74Å
589E89.7Confident87.6Confident120 Ų12081.3 Ų81.356%0.56139%0.387SS*.Hα-helixtrans-59.7-52.4174.7-75.2167.8-179.800111.3C585 Y587 E591 Q592 Y593C585-E589 WeakPolarHBondContact O-CB 3.36Å; C585-E589 WeakPolarHBondContact O-CG 3.47Å; C585-E589 PolarHBondContact O-N 2.99Å; Y587-E589 VanDerWaalsContact C-N 3.3Å; Y587-E589 PolarHBondContact O-N 2.93Å; E589-E591 PolarHBondContact O-N 3.28Å; E589-Q592 PolarHBondContact O-N 3.32Å; E589-Y593 WeakPolarHBondContact O-CB 3.39Å; E589-Y593 PolarHBondContact O-N 3.24Å
590R88.7Confident86.6Confident164 Ų16485.9 Ų85.962%0.61940%0.404SS*.Hα-helixtrans-59.3-45.7178.6-75.6-179.5-67157.2-1.5112.8S586 Y587 Y593 A594S586-R590 VanDerWaalsContact O-CG 3.29Å; S586-R590 WeakPolarHBondContact O-CG 3.24Å; S586-R590 PolarHBondContact O-N 3.46Å; S586-R590 PolarHBondContact O-NE 3.3Å; Y587-R590 PolarHBondContact O-N 3.13Å; R590-Y593 PolarHBondContact O-N 2.93Å; R590-A594 WeakPolarHBondContact O-CB 3.49Å; R590-A594 PolarHBondContact O-N 2.92Å
591E85.7Confident84.9Confident74 Ų7488.4 Ų88.435%0.34643%0.43SS..Hα-helixtrans-67.9-33.5177.7-76.1-78.916200113.2R549 Y587 E589 K595R549-E591 HydrophobicContact CG-CB 4.03Å; Y587-E591 HydrophobicContact CD1-CG 4.26Å; Y587-E591 HydrophobicContact CD2-CG 4.07Å; Y587-E591 HydrophobicContact CE1-CG 3.78Å; Y587-E591 HydrophobicContact CE2-CG 3.5Å; Y587-E591 VanDerWaalsContact CE2-CG 3.5Å; Y587-E591 VanDerWaalsContact CE2-OE1 3.31Å; Y587-E591 WeakPolarHBondContact CE2-OE1 3.12Å; Y587-E591 HydrophobicContact CG-CG 4.41Å; Y587-E591 VanDerWaalsContact CZ-OE1 3.27Å; Y587-E591 WeakPolarHBondContact O-CB 3.44Å; Y587-E591 WeakPolarHBondContact O-CG 3.48Å; Y587-E591 PolarHBondContact O-N 3.49Å; Y587-E591 WeakPolarHBondContact OH-CG 3.49Å; Y587-E591 PolarHBondContact OH-OE1 2.98Å; E589-E591 PolarHBondContact O-N 3.28Å; E591-K595 WeakPolarHBondContact O-CB 3.17Å; E591-K595 PolarHBondContact O-N 2.92Å
592Q87.6Confident83Confident76 Ų7692.4 Ų92.436%0.35547%0.467SS..Hα-helixtrans-72.9-41.5173.6-179.263.912.600110.8L588 E589 L596L588-Q592 WeakPolarHBondContact O-CB 3.34Å; L588-Q592 PolarHBondContact O-N 2.74Å; E589-Q592 PolarHBondContact O-N 3.32Å; Q592-L596 HydrophobicContact CG-CD1 4.04Å; Q592-L596 HydrophobicContact CG-CG 4.46Å; Q592-L596 WeakPolarHBondContact O-CB 3.36Å; Q592-L596 VanDerWaalsContact O-CG 3.26Å; Q592-L596 WeakPolarHBondContact O-CG 3.34Å; Q592-L596 PolarHBondContact O-N 3.18Å
593Y86.2Confident80.7Confident183 Ų18388.5 Ų88.572%0.71847%0.466SS*.Hα-helixtrans-59.1-55.7174.1-116.1-85.9000111.1E589 R590 K595 L596 E597E589-Y593 WeakPolarHBondContact O-CB 3.39Å; E589-Y593 PolarHBondContact O-N 3.24Å; R590-Y593 PolarHBondContact O-N 2.93Å; Y593-K595 VanDerWaalsContact C-N 3.29Å; Y593-K595 PolarHBondContact O-N 2.88Å; Y593-L596 CarbonylContact O-C 3.59Å; Y593-L596 PolarHBondContact O-N 3.15Å; Y593-E597 WeakPolarHBondContact O-CB 3.49Å; Y593-E597 PolarHBondContact O-N 3.09Å
594A85.3Confident78.6Confident37 Ų3791.2 Ų91.231%0.30649%0.485SS..Hα-helixtrans-59.1-38-178.600000112.7R590 Q598R590-A594 WeakPolarHBondContact O-CB 3.49Å; R590-A594 PolarHBondContact O-N 2.92Å; A594-Q598 WeakPolarHBondContact O-CB 3.44Å; A594-Q598 VanDerWaalsContact O-CG 3.26Å; A594-Q598 WeakPolarHBondContact O-CG 3.45Å; A594-Q598 PolarHBondContact O-N 3.06Å
595K82.6Confident76.3Confident88 Ų8898.1 Ų98.138%0.38352%0.522SS..Hα-helixtrans-73.8-33.3175.5179.7149.1165-177.10112.9E591 Y593 L599E591-K595 WeakPolarHBondContact O-CB 3.17Å; E591-K595 PolarHBondContact O-N 2.92Å; Y593-K595 VanDerWaalsContact C-N 3.29Å; Y593-K595 PolarHBondContact O-N 2.88Å; K595-L599 HydrophobicContact CG-CD1 4.18Å; K595-L599 WeakPolarHBondContact O-CB 3.36Å; K595-L599 WeakPolarHBondContact O-CD1 3.29Å; K595-L599 WeakPolarHBondContact O-CG 3.36Å; K595-L599 PolarHBondContact O-N 3.38Å; K595-L599 VanDerWaalsContact O-N 3.15Å
596L85.2Confident73.7Confident72 Ų72104.9 Ų104.938%0.37755%0.55SS..Hα-helixtrans-69.9-40.1172.4-74174.6000111.3Q592 Y593 L599 H600Q592-L596 HydrophobicContact CG-CD1 4.04Å; Q592-L596 HydrophobicContact CG-CG 4.46Å; Q592-L596 WeakPolarHBondContact O-CB 3.36Å; Q592-L596 VanDerWaalsContact O-CG 3.26Å; Q592-L596 WeakPolarHBondContact O-CG 3.34Å; Q592-L596 PolarHBondContact O-N 3.18Å; Y593-L596 CarbonylContact O-C 3.59Å; Y593-L596 PolarHBondContact O-N 3.15Å; L596-L599 PolarHBondContact O-N 2.96Å; L596-L599 VanDerWaalsContact O-N 3.13Å; L596-H600 PolarHBondContact O-N 2.92Å; L596-H600 PolarHBondContact O-ND1 3.43Å
597E83.5Confident71.1Confident134 Ų134109.8 Ų109.863%0.62657%0.571SS**Hα-helixtrans-60.9-44.9173.3-174.6175.7-15400111.1Y593 L599 H600 G601Y593-E597 WeakPolarHBondContact O-CB 3.49Å; Y593-E597 PolarHBondContact O-N 3.09Å; E597-L599 VanDerWaalsContact C-N 3.26Å; E597-L599 PolarHBondContact O-N 3.18Å; E597-H600 PolarHBondContact O-N 3.22Å; E597-G601 WeakPolarHBondContact O-CA 3.28Å; E597-G601 PolarHBondContact O-N 3.23Å
598Q80.7Confident68.5Low163 Ų163112.6 Ų112.676%0.76260%0.599SS**Hα-helixtrans-62.8-29.1172.6-74.8171.89.500113.9A594A594-Q598 WeakPolarHBondContact O-CB 3.44Å; A594-Q598 VanDerWaalsContact O-CG 3.26Å; A594-Q598 WeakPolarHBondContact O-CG 3.45Å; A594-Q598 PolarHBondContact O-N 3.06Å
599L76.8Confident65.9Low121 Ų121117.8 Ų117.863%0.63462%0.624SS**Hα-helixtrans-84.7-24.3179.9-74.4169000113.7K595 L596 E597K595-L599 HydrophobicContact CG-CD1 4.18Å; K595-L599 WeakPolarHBondContact O-CB 3.36Å; K595-L599 WeakPolarHBondContact O-CD1 3.29Å; K595-L599 WeakPolarHBondContact O-CG 3.36Å; K595-L599 PolarHBondContact O-N 3.38Å; K595-L599 VanDerWaalsContact O-N 3.15Å; L596-L599 PolarHBondContact O-N 2.96Å; L596-L599 VanDerWaalsContact O-N 3.13Å; E597-L599 VanDerWaalsContact C-N 3.26Å; E597-L599 PolarHBondContact O-N 3.18Å
600H70.5Confident63.6Low134 Ų134119.1 Ų119.162%0.6263%0.634SS**Hα-helixtrans-119.8-18.1-174.3-57.884.4000113.8L596 E597 A602L596-H600 PolarHBondContact O-N 2.92Å; L596-H600 PolarHBondContact O-ND1 3.43Å; E597-H600 PolarHBondContact O-N 3.22Å; H600-A602 VanDerWaalsContact C-N 3.27Å; H600-A602 PolarHBondContact O-N 2.7Å; H600-A602 VanDerWaalsContact O-N 3.17Å
601G56.2Low61Low55 Ų55121.2 Ų121.257%0.56764%0.642SS**THydrogen-bonded Turntrans-82.820.9-171.100000116.1E597E597-G601 WeakPolarHBondContact O-CA 3.28Å; E597-G601 PolarHBondContact O-N 3.23Å
602A51.5Low58.7Low110 Ų110125.2 Ų125.291%0.90966%0.664SS**THydrogen-bonded Turntrans-79.9-0.7163.800000112.5H600H600-A602 VanDerWaalsContact C-N 3.27Å; H600-A602 PolarHBondContact O-N 2.7Å; H600-A602 VanDerWaalsContact O-N 3.17Å
603A44.6Very low56Low65 Ų65124.5 Ų124.554%0.53768%0.677SS.*SBendtrans-143.3145176.100000111.9
604T45.7Very low53.2Low122 Ų122124 Ų12475%0.74869%0.687SS**  trans62.791.3165.946.20000118.6
605D42.3Very low50.8Low145 Ų145129.9 Ų129.978%0.77571%0.711SS**  52.2112.4113.8-53.9-19.6000120.4N607D605-N607 PolarHBondContact O-N 2.9Å
606E37.2Very low48.5Very low182 Ų182133 Ų13385%0.8573%0.732SS**  trans19.191.1131-58.2-170.2157.900117.7
607N35Very low45.9Very low162 Ų162138.3 Ų138.387%0.86676%0.755SS**  trans171.798131.2-93.3-54.3000112.6D605D605-N607 PolarHBondContact O-N 2.9Å
608S34.2Very low43.6Very low116 Ų116135.5 Ų135.581%0.81175%0.75SS**  trans175.454.3148.641.10000114.1I610S608-I610 PolarHBondContact O-N 3.4Å; S608-I610 VanDerWaalsContact O-N 3.08Å
609M34.4Very low41.9Very low150 Ų150133 Ų13374%0.73975%0.746SS**  trans-79.888172.2-172.6-1756000111.6R611M609-R611 HydrophobicContact CE-CG 4.3Å; M609-R611 HydrophobicContact CG-CG 4.05Å; M609-R611 PolarHBondContact O-N 2.99Å; M609-R611 HydrophobicContact SD-CG 4.02Å
610I42.8Very low40.4Very low149 Ų149132 Ų13276%0.76473%0.734SS**  trans-88.1101.6163.3-60.5-178000108.7S608 I612S608-I610 PolarHBondContact O-N 3.4Å; S608-I610 VanDerWaalsContact O-N 3.08Å; I610-I612 HydrophobicContact CG2-CG1 4.21Å
611R32.3Very low39Very low207 Ų207129.5 Ų129.578%0.78174%0.737SS**  trans-74.7120.9170.1-69-178.2173-167-3.8109.7M609M609-R611 HydrophobicContact CE-CG 4.3Å; M609-R611 HydrophobicContact CG-CG 4.05Å; M609-R611 PolarHBondContact O-N 2.99Å; M609-R611 HydrophobicContact SD-CG 4.02Å
612I37.2Very low38.4Very low159 Ų159131.7 Ų131.782%0.81574%0.739SS**  trans-102.3123.2168.5-63-176.2000109.9I610I610-I612 HydrophobicContact CG2-CG1 4.21Å
613G31.1Very low37.9Very low61 Ų61127.8 Ų127.863%0.62971%0.705SS**  trans-16.5137.317800000121
614N28.4Very low38.4Very low173 Ų173132.9 Ų132.993%0.92572%0.723SS**  trans-51.6141.2154.4-68.4-3.8000110.7
615I34.9Very low39.3Very low160 Ų160128 Ų12882%0.82170%0.695SS**  trans-123.8139.7164.9-65177.9000107.1E617I615-E617 PolarHBondContact O-N 2.82Å
616D33.1Very low40.5Very low153 Ų153121.4 Ų121.482%0.81866%0.659SS**  trans-50.4113.3-161.7-70.5-56.6000116S618D616-S618 PolarHBondContact O-N 3.46Å; D616-S618 VanDerWaalsContact O-N 3.09Å
617E31.4Very low42.3Very low183 Ų183114.1 Ų114.186%0.85563%0.628SS**  trans-81.180.8171.3-171.3172.4-152.100110.2I615I615-E617 PolarHBondContact O-N 2.82Å
618S36.3Very low44.1Very low76 Ų76110.3 Ų110.353%0.53161%0.608SS.*  trans-139.5159.2167.866.70000111.9D616 W620D616-S618 PolarHBondContact O-N 3.46Å; D616-S618 VanDerWaalsContact O-N 3.09Å; S618-W620 PolarHBondContact O-N 3.14Å
619V43.4Very low46.1Very low110 Ų110105.8 Ų105.867%0.66758%0.575SS**SBendtrans81.3-25.8-176-170.50000116.9
620W45.4Very low48.3Very low99 Ų9998.7 Ų98.738%0.37554%0.54SS..SBendtrans-104-18.5-169-55.1102.7000117.5S618 T622 L629S618-W620 PolarHBondContact O-N 3.14Å; W620-T622 PolarHBondContact O-N 3.32Å; W620-L629 HydrophobicContact CE3-CD1 4.43Å
621A41.3Very low49.9Very low83 Ų8393 Ų9369%0.68651%0.512SS*.SBendtrans-88.826.4-166.300000116.6
622T43.5Very low51.8Low100 Ų10088 Ų8861%0.61349%0.493SS*.  trans-134.625.7-168.462.40000116.1W620 R632W620-T622 PolarHBondContact O-N 3.32Å; T622-R632 PolarHBondContact O-NH2 2.79Å; T622-R632 PolarHBondContact OG1-NH1 3.08Å
623S42.3Very low53.6Low29 Ų2980.7 Ų80.720%0.20346%0.456CS..  trans-133.9112.1178.358.50000112.9S625S623-S625 VanDerWaalsContact C-N 3.26Å; S623-S625 PolarHBondContact O-N 3.04Å
624N53.9Low55.8Low171 Ų17177.9 Ų77.991%0.91443%0.427SS*.SBendtrans-84.218.7-176.5-65.4-4.6000114.2
625S65.5Low58.2Low21 Ų2173 Ų7315%0.14741%0.405CS..SBendtrans-154.2139.4177.6175.30000112D503 S623 S627 D628 L629D503-S625 WeakPolarHBondContact OD2-CA 3.28Å; D503-S625 WeakPolarHBondContact OD2-CB 3.26Å; D503-S625 PolarHBondContact OD2-OG 3.18Å; S623-S625 VanDerWaalsContact C-N 3.26Å; S623-S625 PolarHBondContact O-N 3.04Å; S625-S627 PolarHBondContact O-N 3.3Å; S625-S627 PolarHBondContact OG-N 3.33Å; S625-S627 VanDerWaalsContact OG-N 3.15Å; S625-D628 PolarHBondContact O-N 2.99Å; S625-D628 VanDerWaalsContact O-N 3.14Å; S625-L629 PolarHBondContact O-N 3.44Å
626C67.6Low60Low5 Ų567.6 Ų67.63%0.03438%0.384CS..Hα-helixtrans-54.3-29.6169.1-780000112.8D503 L538 D628 L629 M630D503-C626 VanDerWaalsContact CG-N 3.33Å; D503-C626 WeakPolarHBondContact OD1-CB 3.36Å; D503-C626 PolarHBondContact OD1-N 3.02Å; D503-C626 PolarHBondContact OD1-SG 2.73Å; D503-C626 PolarHBondContact OD2-N 3.38Å; L538-C626 HydrophobicContact CD2-CB 3.52Å; L538-C626 HydrophobicContact CG-CB 4.04Å; C626-D628 VanDerWaalsContact C-N 3.32Å; C626-D628 PolarHBondContact O-N 3.34Å; C626-L629 PolarHBondContact O-N 2.59Å; C626-M630 VanDerWaalsContact O-CB 3.27Å; C626-M630 WeakPolarHBondContact O-CB 3.42Å; C626-M630 PolarHBondContact O-N 2.69Å
627S73.2Confident62Low29 Ų2962 Ų6220%0.20335%0.352CS..Hα-helixtrans-61.8-41.2177.9176.10000112.4S625 T631S625-S627 PolarHBondContact O-N 3.3Å; S625-S627 PolarHBondContact OG-N 3.33Å; S625-S627 VanDerWaalsContact OG-N 3.15Å; S627-T631 WeakPolarHBondContact O-CB 3.21Å; S627-T631 PolarHBondContact O-N 3.35Å; S627-T631 VanDerWaalsContact O-N 3.14Å; S627-T631 PolarHBondContact O-OG1 3.13Å
628D74.4Confident64Low82 Ų8253.8 Ų53.844%0.43931%0.314SS..Hα-helixtrans-75-40.8179-64.1-23000110.6S625 C626 T631 R632S625-D628 PolarHBondContact O-N 2.99Å; S625-D628 VanDerWaalsContact O-N 3.14Å; C626-D628 VanDerWaalsContact C-N 3.32Å; C626-D628 PolarHBondContact O-N 3.34Å; D628-T631 PolarHBondContact O-N 2.78Å; D628-R632 WeakPolarHBondContact O-CG 3.12Å; D628-R632 PolarHBondContact O-N 3.29Å
629L75.3Confident65Low22 Ų2256 Ų5612%0.11532%0.32CS..Hα-helixtrans-62.2-46.4176.7-163.174.1000111.5L538 W620 S625 C626 T631 R632 I633L538-L629 HydrophobicContact CD1-CB 4.18Å; L538-L629 HydrophobicContact CD1-CD2 3.66Å; L538-L629 HydrophobicContact CD1-CG 4.01Å; L538-L629 HydrophobicContact CG-CD2 4.04Å; W620-L629 HydrophobicContact CE3-CD1 4.43Å; S625-L629 PolarHBondContact O-N 3.44Å; C626-L629 PolarHBondContact O-N 2.59Å; L629-T631 VanDerWaalsContact C-N 3.28Å; L629-T631 PolarHBondContact O-N 2.89Å; L629-R632 PolarHBondContact O-N 3.22Å; L629-I633 HydrophobicContact CG-CD1 4.13Å; L629-I633 VanDerWaalsContact O-CG1 3.26Å; L629-I633 WeakPolarHBondContact O-CG1 3.41Å; L629-I633 PolarHBondContact O-N 3.34Å
630M80Confident65.6Low1 Ų156.9 Ų56.91%0.00532%0.321CS..Hα-helixtrans-61.4-39.8176.3-163.568.5-138.900111.1L496 I535 L538 C626 I633 I634L496-M630 HydrophobicContact CD2-CE 3.86Å; L496-M630 HydrophobicContact CD2-CG 4.2Å; I535-M630 HydrophobicContact CG1-SD 4.38Å; L538-M630 HydrophobicContact CD1-CB 4.46Å; L538-M630 HydrophobicContact CD1-SD 4.09Å; L538-M630 HydrophobicContact CD2-CB 4.05Å; L538-M630 HydrophobicContact CD2-SD 4.09Å; C626-M630 VanDerWaalsContact O-CB 3.27Å; C626-M630 WeakPolarHBondContact O-CB 3.42Å; C626-M630 PolarHBondContact O-N 2.69Å; M630-I633 HydrophobicContact CE-CG2 4.46Å; M630-I633 PolarHBondContact O-N 2.96Å; M630-I634 WeakPolarHBondContact O-CD1 3.49Å; M630-I634 VanDerWaalsContact O-CG1 3.26Å; M630-I634 WeakPolarHBondContact O-CG1 3.46Å; M630-I634 PolarHBondContact O-N 3.37Å; M630-I634 VanDerWaalsContact O-N 3.12Å
631T76.4Confident66.2Low30 Ų3052.5 Ų52.518%0.18431%0.306CS..Hα-helixtrans-65.4-43.4176.7-56.50000111.5K500 S627 D628 L629 I633 I634 C635 V645K500-T631 WeakPolarHBondContact CE-OG1 3.28Å; K500-T631 PolarHBondContact NZ-OG1 2.86Å; S627-T631 WeakPolarHBondContact O-CB 3.21Å; S627-T631 PolarHBondContact O-N 3.35Å; S627-T631 VanDerWaalsContact O-N 3.14Å; S627-T631 PolarHBondContact O-OG1 3.13Å; D628-T631 PolarHBondContact O-N 2.78Å; L629-T631 VanDerWaalsContact C-N 3.28Å; L629-T631 PolarHBondContact O-N 2.89Å; T631-I633 PolarHBondContact O-N 3.45Å; T631-I634 PolarHBondContact O-N 3.48Å; T631-C635 PolarHBondContact O-N 3.08Å; T631-C635 VanDerWaalsContact O-N 3.17Å; T631-C635 PolarHBondContact O-SG 3.04Å; T631-C635 VanDerWaalsContact O-SG 3.35Å; T631-V645 HydrophobicContact CG2-CB 4.44Å; T631-V645 HydrophobicContact CG2-CG1 3.51Å; T631-V645 HydrophobicContact CG2-CG2 4.07Å
632R73.6Confident66.6Low101 Ų10153 Ų5338%0.38130%0.297SS..Hα-helixtrans-62-40.5173.9-72-179-172.6-176.27.4112.2T622 D628 L629 C635 A636T622-R632 PolarHBondContact O-NH2 2.79Å; T622-R632 PolarHBondContact OG1-NH1 3.08Å; D628-R632 WeakPolarHBondContact O-CG 3.12Å; D628-R632 PolarHBondContact O-N 3.29Å; L629-R632 PolarHBondContact O-N 3.22Å; R632-C635 PolarHBondContact O-N 2.68Å; R632-A636 WeakPolarHBondContact O-CB 3.45Å; R632-A636 PolarHBondContact O-N 3.31Å
633I75.6Confident67.2Low5 Ų555 Ų553%0.02630%0.3CS..Hα-helixtrans-62.7-42.8178.6-71.6166.2000111.3I530 L538 L629 M630 T631 A636 Y637I530-I633 HydrophobicContact CG2-CG2 4.48Å; L538-I633 HydrophobicContact CD1-CD1 3.56Å; L629-I633 HydrophobicContact CG-CD1 4.13Å; L629-I633 VanDerWaalsContact O-CG1 3.26Å; L629-I633 WeakPolarHBondContact O-CG1 3.41Å; L629-I633 PolarHBondContact O-N 3.34Å; M630-I633 HydrophobicContact CE-CG2 4.46Å; M630-I633 PolarHBondContact O-N 2.96Å; T631-I633 PolarHBondContact O-N 3.45Å; I633-A636 PolarHBondContact O-N 3.05Å; I633-Y637 HydrophobicContact CG2-CD2 4.09Å; I633-Y637 VanDerWaalsContact O-CD2 3.28Å; I633-Y637 WeakPolarHBondContact O-CD2 3.2Å; I633-Y637 PolarHBondContact O-N 3.42Å
634I77.1Confident67.8Low3 Ų355.9 Ų55.92%0.01530%0.299CS..Hα-helixtrans-58.4-53.7173.6-61.5158000109.9M492 L496 M630 T631 A636 Y637 L638 A641 V645M492-I634 HydrophobicContact CE-CG1 4.45Å; L496-I634 HydrophobicContact CD1-CD1 3.73Å; L496-I634 HydrophobicContact CD2-CD1 3.39Å; L496-I634 HydrophobicContact CD2-CG1 3.81Å; L496-I634 HydrophobicContact CG-CD1 4.17Å; M630-I634 WeakPolarHBondContact O-CD1 3.49Å; M630-I634 VanDerWaalsContact O-CG1 3.26Å; M630-I634 WeakPolarHBondContact O-CG1 3.46Å; M630-I634 PolarHBondContact O-N 3.37Å; M630-I634 VanDerWaalsContact O-N 3.12Å; T631-I634 PolarHBondContact O-N 3.48Å; I634-A636 VanDerWaalsContact C-N 3.25Å; I634-A636 PolarHBondContact O-N 3.19Å; I634-Y637 PolarHBondContact O-N 3.44Å; I634-L638 HydrophobicContact CG2-CD1 4.14Å; I634-L638 WeakPolarHBondContact O-CB 3.33Å; I634-L638 PolarHBondContact O-N 2.77Å; I634-A641 HydrophobicContact CG2-CB 3.83Å; I634-V645 HydrophobicContact CB-CG2 4.15Å; I634-V645 HydrophobicContact CD1-CG2 4.18Å; I634-V645 HydrophobicContact CG2-CG2 3.74Å
635C77.5Confident67.8Low71 Ų7149 Ų4948%0.4826%0.263SS..Hα-helixtrans-61.9-28.3-178.2-65.70000114.2T631 R632 A641T631-C635 PolarHBondContact O-N 3.08Å; T631-C635 VanDerWaalsContact O-N 3.17Å; T631-C635 PolarHBondContact O-SG 3.04Å; T631-C635 VanDerWaalsContact O-SG 3.35Å; R632-C635 PolarHBondContact O-N 2.68Å; C635-A641 HydrophobicContact CB-CB 4.5Å
636A73.8Confident66.6Low46 Ų4654.9 Ų54.938%0.3829%0.286SS..Hα-helixtrans-81.2-30-178.400000113.8R632 I633 I634R632-A636 WeakPolarHBondContact O-CB 3.45Å; R632-A636 PolarHBondContact O-N 3.31Å; I633-A636 PolarHBondContact O-N 3.05Å; I634-A636 VanDerWaalsContact C-N 3.25Å; I634-A636 PolarHBondContact O-N 3.19Å
637Y74.6Confident65.1Low34 Ų3465.4 Ų65.413%0.13333%0.325CS..Hα-helixtrans-125.3-4.2-165.6-59.7-61.5000115.4K572 Q573 A576 I633 I634K572-Y637 HydrophobicContact CB-CD1 4.28Å; Q573-Y637 PolarHBondContact NE2-O 3.32Å; A576-Y637 HydrophobicContact CB-CD1 4.02Å; A576-Y637 HydrophobicContact CB-CD2 4.42Å; A576-Y637 HydrophobicContact CB-CE1 3.56Å; A576-Y637 HydrophobicContact CB-CE2 4.01Å; A576-Y637 HydrophobicContact CB-CG 4.43Å; I633-Y637 HydrophobicContact CG2-CD2 4.09Å; I633-Y637 VanDerWaalsContact O-CD2 3.28Å; I633-Y637 WeakPolarHBondContact O-CD2 3.2Å; I633-Y637 PolarHBondContact O-N 3.42Å; I634-Y637 PolarHBondContact O-N 3.44Å
638L72.7Confident63Low12 Ų1268.1 Ų68.16%0.06334%0.344CS..  trans-125.1112.4177.6-59.3173.5000109.5M492 T527 I530 I634 D640 A641M492-L638 HydrophobicContact CE-CD1 3.5Å; T527-L638 HydrophobicContact CG2-CD1 4.07Å; T527-L638 HydrophobicContact CG2-CD2 4.33Å; I530-L638 HydrophobicContact CB-CD2 4.28Å; I530-L638 HydrophobicContact CG2-CD1 4.35Å; I530-L638 HydrophobicContact CG2-CD2 4.25Å; I530-L638 HydrophobicContact CG2-CG 4.14Å; I634-L638 HydrophobicContact CG2-CD1 4.14Å; I634-L638 WeakPolarHBondContact O-CB 3.33Å; I634-L638 PolarHBondContact O-N 2.77Å; L638-D640 PolarHBondContact O-N 2.86Å; L638-A641 VanDerWaalsContact O-CB 3.25Å; L638-A641 WeakPolarHBondContact O-CB 3.43Å; L638-A641 PolarHBondContact O-N 3.1Å
639D57.7Low61Low122 Ų12269 Ų6965%0.65236%0.356SS*.THydrogen-bonded Turntrans-68.2-18.6-174.6-55-68.3000112.5K572K572-D639 IonicContact NZ-OD1 3.71Å; K572-D639 PolarHBondContact NZ-OD1 3.13Å
640D57.4Low58.7Low128 Ų12874.6 Ų74.668%0.68439%0.391SS*.THydrogen-bonded Turntrans-9219.8171.1-82.8-42.7000114.5L638 D642 Q643L638-D640 PolarHBondContact O-N 2.86Å; D640-D642 PolarHBondContact O-N 3.15Å; D640-Q643 PolarHBondContact O-N 3.34Å; D640-Q643 VanDerWaalsContact O-N 3.14Å
641A57Low56.3Low8 Ų879.9 Ų79.97%0.06643%0.425CS..Hα-helixtrans-51.8-30-176.300000115I634 C635 L638 Q643 Y644 V645I634-A641 HydrophobicContact CG2-CB 3.83Å; C635-A641 HydrophobicContact CB-CB 4.5Å; L638-A641 VanDerWaalsContact O-CB 3.25Å; L638-A641 WeakPolarHBondContact O-CB 3.43Å; L638-A641 PolarHBondContact O-N 3.1Å; A641-Q643 PolarHBondContact O-N 3.09Å; A641-Y644 PolarHBondContact O-N 2.9Å; A641-V645 WeakPolarHBondContact O-CB 3.21Å; A641-V645 WeakPolarHBondContact O-CG2 3.38Å; A641-V645 PolarHBondContact O-N 2.61Å
642D50.2Low53.9Low94 Ų9484.4 Ų84.450%0.50345%0.453SS..Hα-helixtrans-56.9-33.9-179.9-91.88000113.3D640 Y644 K646D640-D642 PolarHBondContact O-N 3.15Å; D642-Y644 VanDerWaalsContact C-N 3.27Å; D642-Y644 PolarHBondContact O-N 2.88Å; D642-K646 HydrophobicContact CB-CD 4.42Å; D642-K646 PolarHBondContact O-N 2.98Å; D642-K646 VanDerWaalsContact OD1-CD 3.24Å; D642-K646 WeakPolarHBondContact OD1-CD 3.31Å; D642-K646 WeakPolarHBondContact OD1-CE 3.46Å; D642-K646 IonicContact OD1-NZ 2.6Å; D642-K646 PolarHBondContact OD1-NZ 3.32Å; D642-K646 IonicContact OD2-NZ 3.7Å; D642-K646 PolarHBondContact OD2-NZ 3.26Å
643Q55.8Low51.7Low142 Ų14284.2 Ų84.266%0.66447%0.468SS*.Hα-helixtrans-69.4-25.1177.7-165.5179.3102.200112.9D640 A641D640-Q643 PolarHBondContact O-N 3.34Å; D640-Q643 VanDerWaalsContact O-N 3.14Å; A641-Q643 PolarHBondContact O-N 3.09Å
644Y54.8Low49.5Very low47 Ų4791 Ų9118%0.18450%0.503CS..Hα-helixtrans-100.7-23.9-176.6-62-81.3000113.3M492 L496 A641 D642M492-Y644 HydrophobicContact CB-CE1 4.05Å; M492-Y644 HydrophobicContact CG-CD1 3.84Å; M492-Y644 HydrophobicContact CG-CE1 3.49Å; M492-Y644 VanDerWaalsContact CG-CE1 3.49Å; L496-Y644 HydrophobicContact CD1-CD1 4.26Å; A641-Y644 PolarHBondContact O-N 2.9Å; D642-Y644 VanDerWaalsContact C-N 3.27Å; D642-Y644 PolarHBondContact O-N 2.88Å
645V54.7Low47Very low27 Ų2796.5 Ų96.516%0.16454%0.537CS..Hα-helixtrans-110.6-42-170.4176.80000113.6T631 I634 A641 R647T631-V645 HydrophobicContact CG2-CB 4.44Å; T631-V645 HydrophobicContact CG2-CG1 3.51Å; T631-V645 HydrophobicContact CG2-CG2 4.07Å; I634-V645 HydrophobicContact CB-CG2 4.15Å; I634-V645 HydrophobicContact CD1-CG2 4.18Å; I634-V645 HydrophobicContact CG2-CG2 3.74Å; A641-V645 WeakPolarHBondContact O-CB 3.21Å; A641-V645 WeakPolarHBondContact O-CG2 3.38Å; A641-V645 PolarHBondContact O-N 2.61Å; V645-R647 VanDerWaalsContact C-N 3.31Å; V645-R647 PolarHBondContact O-N 3.06Å
646K39.9Very low44.6Very low143 Ų14399 Ų9962%0.62255%0.55SS*.THydrogen-bonded Turntrans-83.464.6-171.3-72.7-173.6-176.2150.20114.3D642D642-K646 HydrophobicContact CB-CD 4.42Å; D642-K646 PolarHBondContact O-N 2.98Å; D642-K646 VanDerWaalsContact OD1-CD 3.24Å; D642-K646 WeakPolarHBondContact OD1-CD 3.31Å; D642-K646 WeakPolarHBondContact OD1-CE 3.46Å; D642-K646 IonicContact OD1-NZ 2.6Å; D642-K646 PolarHBondContact OD1-NZ 3.32Å; D642-K646 IonicContact OD2-NZ 3.7Å; D642-K646 PolarHBondContact OD2-NZ 3.26Å
647R34.6Very low42.5Very low226 Ų226103.5 Ų103.585%0.85357%0.567SS**THydrogen-bonded Turntrans-144.78.6154.1-101.2-178.9-159.6-164.95114.1V645V645-R647 VanDerWaalsContact C-N 3.31Å; V645-R647 PolarHBondContact O-N 3.06Å
648S29.8Very low40.2Very low87 Ų87106.6 Ų106.661%0.60859%0.594SS**SBendtrans-135.553.8-173.6-174.50000113.1
649S33.6Very low38.2Very low100 Ų100114.2 Ų114.270%0.69964%0.635SS**  trans-174143.4158.444.50000109.9
650V25.5Very low36.8Very low139 Ų139115.5 Ų115.584%0.84264%0.642SS**  trans-113.8115.4173.8177.50000107.7
651P29.8Very low35.6Very low112 Ų112115.3 Ų115.373%0.72765%0.651SS**  trans-119.1157.9166.6182.9000113.2
652T27Very low34.3Very low125 Ų125121.4 Ų121.477%0.76768%0.682SS**  trans-102.4126.3-159.6-56.60000113.1
653S25.9Very low33.5Very low98 Ų98124 Ų12469%0.68570%0.696SS**  trans73.6155.5149.476.70000121.9
654L29.2Very low32.4Very low147 Ų147123.2 Ų123.277%0.7770%0.701SS**  trans86.487.2157.7-62.2169.7000120.7
655T24.8Very low30.9Very low118 Ų118126.3 Ų126.372%0.72473%0.73SS**  54.7124.6121.955.20000121.9
656V28.3Very low30Very low124 Ų124131.2 Ų131.275%0.75276%0.762SS**  169.1136.8102.6160.50000112
657N29.2Very low29.4Very low140 Ų140131.1 Ų131.175%0.74977%0.774SS**  trans54112.5158.8-66.2-5.8000124.6
658S26.2Very low29.4Very low100 Ų100125.5 Ų125.570%0.69977%0.769SS**  48119.7109.9-470000121.8
659N31.3Very low29.6Very low172 Ų172127 Ų12792%0.9278%0.779SS**  -161.9151.1108.6-101-23.6000114.1
660N27.5Very low29.4Very low148 Ų148127.1 Ų127.179%0.79179%0.787SS**  trans-76.9153.7-174.5-89.9-25.4000114.2
661S32.6Very low29.7Very low125 Ų125124.3 Ų124.387%0.87479%0.785SS**  trans-153133.3146-63.30000109.6
662N29.9Very low29.5Very low136 Ų136125.4 Ų125.473%0.72779%0.79SS**  trans-88.5173.7-172.1-71-31.1000113.9
663N33.2Very low29.6Very low147 Ų147125.5 Ų125.579%0.78679%0.791SS**  trans108.6137.7160.2-57.8-12.4000114.6
664T32.3Very low29.7Very low126 Ų126126 Ų12677%0.77379%0.794SS**  cis-161.9142-1316.20000107.1
665S24.1Very low29.8Very low113 Ų113125 Ų12579%0.7980%0.799SS**  trans-89.9161.3169.647.50000111.7
666P35.6Very low30Very low129 Ų129127 Ų12784%0.83880%0.804SS**  -138156.6127.436.8-25.7000114.7
667T26.7Very low30.1Very low142 Ų142130.6 Ų130.687%0.87181%0.813SS**  trans-98.5143.2176.936.30000112.3
668S34.9Very low30.1Very low107 Ų107127.2 Ų127.275%0.74881%0.811SS**  trans-159.5104.4163.854.50000108
669S34.2Very low30.3Very low118 Ų118129.5 Ų129.583%0.82582%0.82SS**  88.5134.672.668.70000113.3
670A29.9Very low30Very low104 Ų104127.3 Ų127.386%0.8682%0.819SS**  trans-63.3160.1-166.700000116.5
671G30.9Very low30.1Very low79 Ų79123.8 Ų123.881%0.81482%0.818SS**  trans-154.8114.4165.700000111.3
672T25.4Very low29.9Very low135 Ų135123.4 Ų123.483%0.82882%0.815SS**  trans-116.5124.5178.6-57.80000109.6
673T30.5Very low29.7Very low128 Ų128124.7 Ų124.779%0.78582%0.82SS**  trans-173.9108.7160.732.50000107
674S27.3Very low29.5Very low107 Ų107124.8 Ų124.875%0.74882%0.821SS**  63.81037874.20000115
675S30.7Very low29.3Very low126 Ų126126 Ų12688%0.88182%0.823SS**  trans-144.8131.3150.656.50000109.8
676I28.8Very low29.4Very low162 Ų162129.7 Ų129.783%0.83183%0.827SS**  trans-109.6131.1-173.1-68.5164.9000108.5
677Q31.5Very low29.4Very low198 Ų198128.5 Ų128.593%0.92582%0.822SS**  trans-172.8136.2154.7-102.6159.817.200106.7
678G28.5Very low29.6Very low70 Ų70128.2 Ų128.272%0.72282%0.82SS**  cis141.667.73.200000111
679V29.6Very low30.5Very low147 Ų147129 Ų12989%0.89182%0.816SS**  trans-135.6117.6173.2-176.90000109.8
680S26.4Very low31.7Very low127 Ų127126.8 Ų126.889%0.88879%0.794SS**  trans-93144.5171.2-50.50000109.9
681G29Very low33.8Very low74 Ų74124.6 Ų124.676%0.76377%0.773SS**  trans-179.411017400000115.2
682S27.5Very low35.8Very low117 Ų117123.7 Ų123.782%0.81875%0.749SS**  trans61.996.6160.7-60.20000119.5
683I27.1Very low38.2Very low163 Ų163122 Ų12284%0.83673%0.732SS**  trans-53.2138.1148.4-62.5158.3000109.9
684N29.6Very low40.3Very low149 Ų149120.1 Ų120.180%0.79771%0.714SS**  trans-157.1114.1155.8-94.1-30.9000110.5
685N26.3Very low42.7Very low152 Ų152115.6 Ų115.681%0.81368%0.681SS**  trans25.9103.3166.2-65-3.8000119.7
686E27.6Very low44.9Very low190 Ų190112.5 Ų112.589%0.88865%0.65SS**  trans-78.9114.4156.8-69.8-174.6144.400110.8
687S34.1Very low47.2Very low103 Ų103110.2 Ų110.272%0.7264%0.635SS**  trans-72.4120.5158-50.80000108.2N689S687-N689 VanDerWaalsContact C-N 3.32Å; S687-N689 PolarHBondContact O-N 3.44Å
688T31.4Very low49.4Very low137 Ų137104.1 Ų104.184%0.8461%0.609SS**  trans-70.779-17151.70000113.6
689N54Low51.7Low124 Ų124101.8 Ų101.866%0.66358%0.583SS**PPolyproline II helixtrans-86.9128.5163-77.1-51.4000109.6S687 S691S687-N689 VanDerWaalsContact C-N 3.32Å; S687-N689 PolarHBondContact O-N 3.44Å; N689-S691 PolarHBondContact O-N 3.3Å
690L58.8Low54Low71 Ų7197.7 Ų97.737%0.37256%0.564SS.*PPolyproline II helixtrans-58.3130.2174.4-75.5146.3000110.2Q694 K695 L698L690-Q694 HydrophobicContact CB-CB 4.24Å; L690-Q694 HydrophobicContact CD2-CB 3.75Å; L690-Q694 HydrophobicContact CD2-CG 4.41Å; L690-K695 HydrophobicContact CB-CG 3.94Å; L690-K695 WeakPolarHBondContact O-CE 3.19Å; L690-L698 HydrophobicContact CD1-CD1 3.83Å; L690-L698 HydrophobicContact CD2-CD1 4.15Å
691S74.6Confident56.4Low58 Ų5898 Ų9841%0.40655%0.55SS..PPolyproline II helixtrans-60.7155.9176.672.10000111.2N689 E693 Q694 K695N689-S691 PolarHBondContact O-N 3.3Å; S691-E693 PolarHBondContact O-N 2.91Å; S691-E693 VanDerWaalsContact O-N 3.1Å; S691-Q694 WeakPolarHBondContact O-CA 3.27Å; S691-Q694 WeakPolarHBondContact O-CB 3.44Å; S691-Q694 PolarHBondContact O-N 3.31Å; S691-Q694 WeakPolarHBondContact OG-CG 3.19Å; S691-Q694 PolarHBondContact OG-N 2.98Å; S691-Q694 PolarHBondContact OG-OE1 3.16Å; S691-K695 PolarHBondContact O-N 3.42Å
692L73.6Confident58.7Low60 Ų6099 Ų9931%0.31453%0.533SS..Hα-helixtrans-52.4-37178.4179.964.4000112.2Y294 M297 P307 K695 R696Y294-L692 HydrophobicContact CE1-CD1 4.25Å; Y294-L692 HydrophobicContact CE1-CD2 4.17Å; M297-L692 HydrophobicContact CE-CD1 4.34Å; P307-L692 HydrophobicContact CB-CD1 4.12Å; L692-K695 PolarHBondContact O-N 3.28Å; L692-R696 WeakPolarHBondContact O-CG 3.24Å; L692-R696 PolarHBondContact O-N 3.37Å
693E75.2Confident61Low99 Ų9995.1 Ų95.146%0.46351%0.505SS..Hα-helixtrans-70.3-39.4177.6-173.951-145.400112.3S691 R696 Q697S691-E693 PolarHBondContact O-N 2.91Å; S691-E693 VanDerWaalsContact O-N 3.1Å; E693-R696 WeakPolarHBondContact O-CB 3.21Å; E693-R696 PolarHBondContact O-N 3.42Å; E693-Q697 VanDerWaalsContact O-CG 3.29Å; E693-Q697 WeakPolarHBondContact O-CG 3.29Å; E693-Q697 PolarHBondContact O-N 2.97Å; E693-Q697 PolarHBondContact OE1-NE2 2.81Å; E693-Q697 VanDerWaalsContact OE1-NE2 3.13Å
694Q73.7Confident63.1Low89 Ų8993.3 Ų93.342%0.41649%0.493SS..Hα-helixtrans-65.8-39.9171.5-70.4166-3100111.7L690 S691 Q697 L698L690-Q694 HydrophobicContact CB-CB 4.24Å; L690-Q694 HydrophobicContact CD2-CB 3.75Å; L690-Q694 HydrophobicContact CD2-CG 4.41Å; S691-Q694 WeakPolarHBondContact O-CA 3.27Å; S691-Q694 WeakPolarHBondContact O-CB 3.44Å; S691-Q694 PolarHBondContact O-N 3.31Å; S691-Q694 WeakPolarHBondContact OG-CG 3.19Å; S691-Q694 PolarHBondContact OG-N 2.98Å; S691-Q694 PolarHBondContact OG-OE1 3.16Å; Q694-Q697 PolarHBondContact O-N 2.87Å; Q694-L698 WeakPolarHBondContact O-CG 3.45Å; Q694-L698 PolarHBondContact O-N 3.37Å
695K78.5Confident65.2Low12 Ų1290.9 Ų90.95%0.05248%0.479CS..Hα-helixtrans-61.6-41.9173.9-69.7-177.5174.7-175.90111.4M297 R306 D308 L690 S691 L692 L698 A699M297-K695 HydrophobicContact CE-CB 3.86Å; R306-K695 PolarHBondContact O-NZ 3.04Å; D308-K695 IonicContact OD1-NZ 3.84Å; D308-K695 PolarHBondContact OD1-NZ 2.92Å; D308-K695 IonicContact OD2-NZ 2.87Å; D308-K695 PolarHBondContact OD2-NZ 2.89Å; L690-K695 HydrophobicContact CB-CG 3.94Å; L690-K695 WeakPolarHBondContact O-CE 3.19Å; S691-K695 PolarHBondContact O-N 3.42Å; L692-K695 PolarHBondContact O-N 3.28Å; K695-L698 PolarHBondContact O-N 2.9Å; K695-A699 PolarHBondContact O-N 3.07Å
696R77.3Confident67.2Low61 Ų6189.4 Ų89.423%0.2347%0.467CS..Hα-helixtrans-58.2-48170.5-83.7-179.1156127.85.5112.5E293 Y294 M297 L692 E693 L698 A699 A700E293-R696 IonicContact OE1-CZ 3.99Å; E293-R696 IonicContact OE1-NE 3.94Å; E293-R696 PolarHBondContact OE1-NE 3.3Å; E293-R696 IonicContact OE1-NH2 2.71Å; E293-R696 IonicContact OE2-CZ 2.64Å; E293-R696 IonicContact OE2-NE 3.64Å; E293-R696 PolarHBondContact OE2-NE 3Å; E293-R696 IonicContact OE2-NH2 3.3Å; E293-R696 PolarHBondContact OE2-NH2 3.14Å; Y294-R696 PolarHBondContact OH-NH2 2.71Å; M297-R696 HydrophobicContact CE-CG 4.21Å; M297-R696 HydrophobicContact SD-CG 3.94Å; L692-R696 WeakPolarHBondContact O-CG 3.24Å; L692-R696 PolarHBondContact O-N 3.37Å; E693-R696 WeakPolarHBondContact O-CB 3.21Å; E693-R696 PolarHBondContact O-N 3.42Å; R696-L698 PolarHBondContact O-N 2.92Å; R696-A699 WeakPolarHBondContact O-CB 3.11Å; R696-A699 PolarHBondContact O-N 3.33Å; R696-A700 WeakPolarHBondContact O-CB 3.47Å; R696-A700 PolarHBondContact O-N 2.65Å
697Q77.5Confident69Low113 Ų11388.4 Ų88.453%0.52846%0.455SS..Hα-helixtrans-63.3-39.2179.4-71.617120.200112.3E693 Q694 A700 K701E693-Q697 VanDerWaalsContact O-CG 3.29Å; E693-Q697 WeakPolarHBondContact O-CG 3.29Å; E693-Q697 PolarHBondContact O-N 2.97Å; E693-Q697 PolarHBondContact OE1-NE2 2.81Å; E693-Q697 VanDerWaalsContact OE1-NE2 3.13Å; Q694-Q697 PolarHBondContact O-N 2.87Å; Q697-A700 PolarHBondContact O-N 3.35Å; Q697-K701 VanDerWaalsContact O-CB 3.27Å; Q697-K701 WeakPolarHBondContact O-CB 3.49Å; Q697-K701 PolarHBondContact O-N 3.22Å
698L77.3Confident70.2Confident70 Ų7088.9 Ų88.937%0.36645%0.449SS..Hα-helixtrans-64.6-42.6173.3-71.6172.1000112L690 Q694 K695 R696 K701 K702L690-L698 HydrophobicContact CD1-CD1 3.83Å; L690-L698 HydrophobicContact CD2-CD1 4.15Å; Q694-L698 WeakPolarHBondContact O-CG 3.45Å; Q694-L698 PolarHBondContact O-N 3.37Å; K695-L698 PolarHBondContact O-N 2.9Å; R696-L698 PolarHBondContact O-N 2.92Å; L698-K701 PolarHBondContact O-N 3.07Å; L698-K702 PolarHBondContact O-N 3.38Å
699A76.3Confident71.6Confident22 Ų2286 Ų8618%0.18243%0.434CS..Hα-helixtrans-61.4-46.7174.300000111.8I305 K695 R696 K701 K702 V703I305-A699 HydrophobicContact CG2-CB 3.8Å; K695-A699 PolarHBondContact O-N 3.07Å; R696-A699 WeakPolarHBondContact O-CB 3.11Å; R696-A699 PolarHBondContact O-N 3.33Å; A699-K701 PolarHBondContact O-N 3.05Å; A699-K702 PolarHBondContact O-N 3.19Å; A699-V703 WeakPolarHBondContact O-CG2 3.45Å; A699-V703 PolarHBondContact O-N 3.14Å
700A77.8Confident71.6Confident60 Ų6083 Ų8350%0.49642%0.423SS..Hα-helixtrans-60.9-44.1176.700000111.7R696 Q697 V703 Q704R696-A700 WeakPolarHBondContact O-CB 3.47Å; R696-A700 PolarHBondContact O-N 2.65Å; Q697-A700 PolarHBondContact O-N 3.35Å; A700-V703 PolarHBondContact O-N 3.14Å; A700-Q704 WeakPolarHBondContact O-CB 3.24Å; A700-Q704 PolarHBondContact O-N 2.86Å
701K77.9Confident71Confident133 Ų13384.6 Ų84.658%0.57843%0.432SS*.Hα-helixtrans-62.7-41.3176.7-170.4176.2-177.7179.20112Q697 L698 A699 Q704 I705Q697-K701 VanDerWaalsContact O-CB 3.27Å; Q697-K701 WeakPolarHBondContact O-CB 3.49Å; Q697-K701 PolarHBondContact O-N 3.22Å; L698-K701 PolarHBondContact O-N 3.07Å; A699-K701 PolarHBondContact O-N 3.05Å; K701-Q704 PolarHBondContact O-N 2.85Å; K701-I705 HydrophobicContact CG-CD1 4.15Å; K701-I705 VanDerWaalsContact O-CG1 3.28Å; K701-I705 WeakPolarHBondContact O-CG1 3.41Å; K701-I705 PolarHBondContact O-N 2.72Å
702K76.7Confident69.4Low95 Ų9589 Ų8941%0.41345%0.45SS..Hα-helixtrans-65.1-44.6174-75.4-159.3-175.7176.30112.5D302 I305 L698 A699 Q704 I705 E706D302-K702 IonicContact OD2-NZ 2.68Å; D302-K702 PolarHBondContact OD2-NZ 3.45Å; I305-K702 HydrophobicContact CD1-CD 3.58Å; I305-K702 HydrophobicContact CD1-CG 4.28Å; L698-K702 PolarHBondContact O-N 3.38Å; A699-K702 PolarHBondContact O-N 3.19Å; K702-Q704 PolarHBondContact O-N 2.98Å; K702-I705 PolarHBondContact O-N 3.34Å; K702-I705 VanDerWaalsContact O-N 3.14Å; K702-E706 WeakPolarHBondContact O-CG 3.31Å; K702-E706 PolarHBondContact O-N 3.03Å
703V74.9Confident67.6Low37 Ų3791.3 Ų91.322%0.22447%0.467CS..Hα-helixtrans-61.3-35175.3172.10000111.6A699 A700 R707A699-V703 WeakPolarHBondContact O-CG2 3.45Å; A699-V703 PolarHBondContact O-N 3.14Å; A700-V703 PolarHBondContact O-N 3.14Å; V703-R707 WeakPolarHBondContact O-CB 3.38Å; V703-R707 WeakPolarHBondContact O-CG 3.39Å; V703-R707 PolarHBondContact O-N 3.19Å
704Q71.4Confident65.5Low125 Ų12591.8 Ų91.858%0.58448%0.481SS*.Hα-helixtrans-68.8-42174.3-169.3174.88.700111.9A700 K701 K702 R707 L708A700-Q704 WeakPolarHBondContact O-CB 3.24Å; A700-Q704 PolarHBondContact O-N 2.86Å; K701-Q704 PolarHBondContact O-N 2.85Å; K702-Q704 PolarHBondContact O-N 2.98Å; Q704-R707 PolarHBondContact O-N 3.37Å; Q704-L708 HydrophobicContact CG-CD1 4.23Å; Q704-L708 WeakPolarHBondContact O-CB 3.05Å; Q704-L708 VanDerWaalsContact O-CG 3.24Å; Q704-L708 WeakPolarHBondContact O-CG 3.45Å; Q704-L708 PolarHBondContact O-N 3.46Å
705I73.7Confident63.6Low98 Ų9894 Ų9450%0.50350%0.5SS..Hα-helixtrans-63.2-43.8174.1-69.1163.1000111K701 K702 L708 S709K701-I705 HydrophobicContact CG-CD1 4.15Å; K701-I705 VanDerWaalsContact O-CG1 3.28Å; K701-I705 WeakPolarHBondContact O-CG1 3.41Å; K701-I705 PolarHBondContact O-N 2.72Å; K702-I705 PolarHBondContact O-N 3.34Å; K702-I705 VanDerWaalsContact O-N 3.14Å; I705-L708 PolarHBondContact O-N 2.95Å; I705-S709 WeakPolarHBondContact O-CB 3.15Å; I705-S709 PolarHBondContact O-N 3.36Å; I705-S709 PolarHBondContact O-OG 2.96Å
706E68.1Low61.4Low120 Ų12098.4 Ų98.456%0.56153%0.53SS*.Hα-helixtrans-59.9-46.9175.4-76179.416600111.2K702 L708 S709 S710K702-E706 WeakPolarHBondContact O-CG 3.31Å; K702-E706 PolarHBondContact O-N 3.03Å; E706-L708 VanDerWaalsContact C-N 3.35Å; E706-L708 PolarHBondContact O-N 3.49Å; E706-S709 WeakPolarHBondContact CA-OG 3.41Å; E706-S709 PolarHBondContact O-N 3.3Å; E706-S709 VanDerWaalsContact O-N 3.14Å; E706-S709 PolarHBondContact O-OG 3.03Å; E706-S710 PolarHBondContact O-N 2.86Å; E706-S710 PolarHBondContact O-OG 2.64Å
707R66.4Low59.3Low170 Ų170101 Ų10164%0.64256%0.558SS**Hα-helixtrans-60.9-39.3174.4-77.5178.4173.9-176.8-1.8113.1V703 Q704 S709 S710 N711V703-R707 WeakPolarHBondContact O-CB 3.38Å; V703-R707 WeakPolarHBondContact O-CG 3.39Å; V703-R707 PolarHBondContact O-N 3.19Å; Q704-R707 PolarHBondContact O-N 3.37Å; R707-S709 VanDerWaalsContact C-N 3.32Å; R707-S710 WeakPolarHBondContact CA-OG 3.38Å; R707-S710 PolarHBondContact O-OG 2.95Å; R707-S710 VanDerWaalsContact O-OG 3.05Å; R707-N711 VanDerWaalsContact O-CB 3.29Å; R707-N711 WeakPolarHBondContact O-CB 3.48Å; R707-N711 PolarHBondContact O-N 3.49Å; R707-N711 VanDerWaalsContact O-N 3.07Å; R707-N711 PolarHBondContact O-OD1 2.73Å
708L58.3Low57.2Low112 Ų112102.6 Ų102.659%0.58657%0.569SS**Hα-helixtrans-66.8-36175.1-72.4165.9000111.4Q704 I705 E706Q704-L708 HydrophobicContact CG-CD1 4.23Å; Q704-L708 WeakPolarHBondContact O-CB 3.05Å; Q704-L708 VanDerWaalsContact O-CG 3.24Å; Q704-L708 WeakPolarHBondContact O-CG 3.45Å; Q704-L708 PolarHBondContact O-N 3.46Å; I705-L708 PolarHBondContact O-N 2.95Å; E706-L708 VanDerWaalsContact C-N 3.35Å; E706-L708 PolarHBondContact O-N 3.49Å
709S62Low55.1Low76 Ų76106.3 Ų106.353%0.53159%0.588SS.*Hα-helixtrans-73.4-35.3176.373.70000113.3I705 E706 R707I705-S709 WeakPolarHBondContact O-CB 3.15Å; I705-S709 PolarHBondContact O-N 3.36Å; I705-S709 PolarHBondContact O-OG 2.96Å; E706-S709 WeakPolarHBondContact CA-OG 3.41Å; E706-S709 PolarHBondContact O-N 3.3Å; E706-S709 VanDerWaalsContact O-N 3.14Å; E706-S709 PolarHBondContact O-OG 3.03Å; R707-S709 VanDerWaalsContact C-N 3.32Å
710S52.7Low53.2Low62 Ų62113.6 Ų113.643%0.43462%0.619SS.*Hα-helixtrans-72.6-31.6175.962.50000112.5E706 R707 L712 T713E706-S710 PolarHBondContact O-N 2.86Å; E706-S710 PolarHBondContact O-OG 2.64Å; R707-S710 WeakPolarHBondContact CA-OG 3.38Å; R707-S710 PolarHBondContact O-OG 2.95Å; R707-S710 VanDerWaalsContact O-OG 3.05Å; S710-L712 PolarHBondContact O-N 3.08Å; S710-T713 PolarHBondContact O-N 3.32Å; S710-T713 VanDerWaalsContact O-O 3.09Å; S710-T713 PolarHBondContact O-OG1 3.36Å
711N46.4Very low50.8Low104 Ų104116.7 Ų116.756%0.55663%0.633SS**THydrogen-bonded Turntrans-80.82.1-177.4-68.35.4000113.9R707R707-N711 VanDerWaalsContact O-CB 3.29Å; R707-N711 WeakPolarHBondContact O-CB 3.48Å; R707-N711 PolarHBondContact O-N 3.49Å; R707-N711 VanDerWaalsContact O-N 3.07Å; R707-N711 PolarHBondContact O-OD1 2.73Å
712L41.8Very low48.7Very low152 Ų152115.1 Ų115.180%0.79665%0.645SS**THydrogen-bonded Turntrans-79.3-3.1166.5-83.8160.2000112.7S710S710-L712 PolarHBondContact O-N 3.08Å
713T36.2Very low46.5Very low108 Ų108117.8 Ų117.866%0.66367%0.67SS**SBendtrans-129.1127.7166.2280000110S710S710-T713 PolarHBondContact O-N 3.32Å; S710-T713 VanDerWaalsContact O-O 3.09Å; S710-T713 PolarHBondContact O-OG1 3.36Å
714S31.4Very low44.5Very low108 Ų108119.3 Ų119.376%0.75569%0.693SS**SBendtrans77.5133.5-172.778.80000116.4
715V32.3Very low42.7Very low136 Ų136120.5 Ų120.582%0.82471%0.709SS**PPolyproline II helixtrans-94.5127.5-170.5-175.30000109.9
716P32.4Very low40.8Very low105 Ų105118.8 Ų118.868%0.68272%0.715SS**PPolyproline II helixtrans-94.1122.8176.633-30000112.4
717S34.2Very low39Very low115 Ų115119.3 Ų119.380%0.80473%0.729SS**PPolyproline II helixtrans-90.8116.4177.4-59.10000112.7
718L32.5Very low37.3Very low147 Ų147120.3 Ų120.377%0.7774%0.743SS**  trans11.1136.9151-88.660.7000121.8
719L34.7Very low35.8Very low147 Ų147124.2 Ų124.277%0.7776%0.755SS**  trans62.9129.8138.4-59.4165.9000117.6
720Q35.1Very low34.2Very low176 Ų176128.2 Ų128.282%0.82277%0.77SS**  -172.6153.454.3-138.3167.515.400109.7
721P28.4Very low33Very low124 Ų124130.8 Ų130.881%0.80578%0.783SS**  trans-86.3131.9173.532.9-31.5000111.8
722A33.9Very low32.1Very low100 Ų100131.8 Ų131.883%0.82679%0.793SS**  trans-116.1128.117400000111.4
723T30.5Very low31.4Very low151 Ų151130.6 Ų130.693%0.92679%0.793SS**  trans-69.2136.6177.5480000112.3
724G32.2Very low31.1Very low69 Ų69131.3 Ų131.371%0.71180%0.797SS**  trans-15389.7179.600000115.1
725V34.3Very low31Very low151 Ų151135.2 Ų135.292%0.91581%0.805SS**  trans55.4128.7151.7-161.10000119.4
726G32.3Very low30.9Very low62 Ų62135.4 Ų135.464%0.63980%0.802SS**  trans-76.7178.6179.600000116.1
727P31.6Very low31Very low131 Ų131137.5 Ų137.585%0.85180%0.8SS**  trans-85.9131.5-160.832.7-35.3000114K729P727-K729 PolarHBondContact O-N 3.47Å
728M29.9Very low30.9Very low191 Ų191137.6 Ų137.694%0.94180%0.798SS**  trans-86.5104.4168.6-148.1173-168.900109.8L730M728-L730 PolarHBondContact O-N 3.02Å
729K27.3Very low31.1Very low193 Ų193139 Ų13984%0.83980%0.798SS**  trans-66.2110.1170-94.2-178.5171.5178.40109.6P727P727-K729 PolarHBondContact O-N 3.47Å
730L27.9Very low31.6Very low161 Ų161136 Ų13684%0.84379%0.788SS**  trans-88.8109.8166.5-156.671.9000109.3M728 T732M728-L730 PolarHBondContact O-N 3.02Å; L730-T732 PolarHBondContact O-N 3.01Å
731T27.1Very low32.5Very low115 Ų115130.9 Ų130.971%0.70677%0.768SS**  trans-91.597-177.9-52.20000109.1T733T731-T733 PolarHBondContact O-N 3.05Å; T731-T733 VanDerWaalsContact O-N 3.16Å
732T28.6Very low33.8Very low125 Ų125130.3 Ų130.377%0.76776%0.758SS**  trans-77101.2178.6-12.60000110.5L730 T734L730-T732 PolarHBondContact O-N 3.01Å; T732-T734 PolarHBondContact O-N 3.45Å; T732-T734 VanDerWaalsContact O-N 3.14Å
733T27.8Very low34.9Very low128 Ų128126.7 Ų126.779%0.78572%0.724SS**  trans-69.1102171.144.20000110.6T731T731-T733 PolarHBondContact O-N 3.05Å; T731-T733 VanDerWaalsContact O-N 3.16Å
734T29Very low36.1Very low123 Ų123121.7 Ų121.776%0.75569%0.694SS**  trans-75.7131.7166.842.30000110.1T732 N736T732-T734 PolarHBondContact O-N 3.45Å; T732-T734 VanDerWaalsContact O-N 3.14Å; T734-N736 PolarHBondContact O-N 3.16Å
735M29.8Very low37.2Very low189 Ų189123.9 Ų123.993%0.93169%0.689SS**  trans-70.4127.4178.7-70.8-158.7164.600110.8K737M735-K737 PolarHBondContact O-N 2.88Å; M735-K737 VanDerWaalsContact O-N 3.07Å
736N30.5Very low38.6Very low141 Ų141121 Ų12175%0.75467%0.673SS**  trans-67105.1177.8-77.8-48.8000110.7T734T734-N736 PolarHBondContact O-N 3.16Å
737K33Very low39.8Very low148 Ų148118.3 Ų118.364%0.64364%0.643SS**PPolyproline II helixtrans-53.3145.8147.8-90.1-172.5174.8-173.80107.6D384 M735 K739D384-K737 IonicContact OD2-NZ 3.08Å; D384-K737 PolarHBondContact OD2-NZ 3.33Å; M735-K737 PolarHBondContact O-N 2.88Å; M735-K737 VanDerWaalsContact O-N 3.07Å; K737-K739 PolarHBondContact O-N 2.9Å; K737-K739 VanDerWaalsContact O-N 3.07Å
738P33.1Very low41.2Very low117 Ų117114.9 Ų114.976%0.7662%0.617SS**PPolyproline II helixtrans-59.7116.3178.624.6-33.5000110.1
739K36.3Very low42.6Very low178 Ų178108.6 Ų108.677%0.77459%0.592SS**PPolyproline II helixtrans-64.1130.6179-75.3-173.4176.9-176.60109.9K737K737-K739 PolarHBondContact O-N 2.9Å; K737-K739 VanDerWaalsContact O-N 3.07Å
740P45.2Very low44.3Very low84 Ų84105 Ų10555%0.54557%0.574SS.*PPolyproline II helixtrans-61.1154167.827-33.1000110D742P740-D742 PolarHBondContact O-N 3.45Å
741V53.9Low45.8Very low67 Ų6797.3 Ų97.341%0.40653%0.534SS..PPolyproline II helixtrans-67.5122.2-179.4177.10000109I743V741-I743 HydrophobicContact CG1-CG2 4.36Å; V741-I743 PolarHBondContact O-N 2.89Å
742D55.4Low47.6Very low113 Ų11393.7 Ų93.760%0.60451%0.511SS*.  trans-70.495.7-179.9-173.27.7000111.4P740 T744P740-D742 PolarHBondContact O-N 3.45Å; D742-T744 VanDerWaalsContact C-N 3.34Å; D742-T744 WeakPolarHBondContact OD1-CB 3.17Å; D742-T744 PolarHBondContact OD1-N 3.32Å; D742-T744 PolarHBondContact OD1-OG1 3.27Å
743I58.3Low49.3Very low23 Ų2392.7 Ų92.712%0.11850%0.502CS..  trans-92.35.5173.356.1171.5000112.4L413 I414 V741 N745 T746 L747L413-I743 HydrophobicContact CD2-CD1 3.83Å; L413-I743 HydrophobicContact CD2-CG2 4.24Å; L413-I743 HydrophobicContact CG-CD1 4.31Å; I414-I743 HydrophobicContact CD1-CD1 4.47Å; I414-I743 HydrophobicContact CG1-CD1 3.84Å; V741-I743 HydrophobicContact CG1-CG2 4.36Å; V741-I743 PolarHBondContact O-N 2.89Å; I743-N745 VanDerWaalsContact C-N 3.32Å; I743-N745 PolarHBondContact O-N 2.99Å; I743-T746 PolarHBondContact O-N 3.25Å; I743-L747 HydrophobicContact CD1-CD1 4.02Å; I743-L747 HydrophobicContact CG1-CD1 3.93Å; I743-L747 WeakPolarHBondContact O-CB 3.17Å; I743-L747 WeakPolarHBondContact O-CG 3.42Å; I743-L747 PolarHBondContact O-N 3.33Å
744T55Low50.9Low47 Ų4787.4 Ų87.429%0.28847%0.47SS..Hα-helixtrans-62.7-37.4-169.3-49.90000112.2K340 D742 L747 I748K340-T744 HydrophobicContact CB-CG2 4.47Å; K340-T744 HydrophobicContact CD-CG2 3.51Å; K340-T744 HydrophobicContact CG-CG2 3.74Å; D742-T744 VanDerWaalsContact C-N 3.34Å; D742-T744 WeakPolarHBondContact OD1-CB 3.17Å; D742-T744 PolarHBondContact OD1-N 3.32Å; D742-T744 PolarHBondContact OD1-OG1 3.27Å; T744-L747 WeakPolarHBondContact O-CB 3.38Å; T744-L747 PolarHBondContact O-N 3.41Å; T744-I748 VanDerWaalsContact O-CG1 3.31Å; T744-I748 WeakPolarHBondContact O-CG1 3.33Å; T744-I748 PolarHBondContact O-N 3.34Å
745N55.9Low52.4Low114 Ų11483.5 Ų83.561%0.6145%0.445SS*.Hα-helixtrans-69.2-43.1178.9-68.3-29.4000112.3I743 L747 I748 S749I743-N745 VanDerWaalsContact C-N 3.32Å; I743-N745 PolarHBondContact O-N 2.99Å; N745-L747 VanDerWaalsContact C-N 3.27Å; N745-L747 PolarHBondContact O-N 3.06Å; N745-I748 WeakPolarHBondContact O-CB 3.46Å; N745-I748 PolarHBondContact O-N 3.36Å; N745-I748 VanDerWaalsContact O-N 3.14Å; N745-S749 PolarHBondContact O-N 2.98Å; N745-S749 PolarHBondContact O-OG 3.47Å
746T63.7Low53.7Low92 Ų9278.3 Ų78.356%0.56442%0.421SS*.Hα-helixtrans-64.2-35175.2-43.10000111.7I743 S749 Y750I743-T746 PolarHBondContact O-N 3.25Å; T746-S749 WeakPolarHBondContact CA-OG 3.39Å; T746-S749 PolarHBondContact O-OG 3.48Å; T746-Y750 WeakPolarHBondContact O-CB 3.4Å; T746-Y750 PolarHBondContact O-N 3.16Å
747L57.5Low54.6Low4 Ų475 Ų752%0.02141%0.408CS..Hα-helixtrans-65-40.2171.8-80.4172.5000112.9P373 F374 Q410 I414 I743 T744 N745 N751P373-L747 HydrophobicContact CB-CD1 4.11Å; P373-L747 HydrophobicContact CB-CD2 3.42Å; P373-L747 VanDerWaalsContact CB-CD2 3.42Å; P373-L747 HydrophobicContact CB-CG 4.4Å; P373-L747 HydrophobicContact CG-CD2 4.14Å; F374-L747 HydrophobicContact CD1-CB 4.41Å; F374-L747 HydrophobicContact CE1-CB 3.67Å; F374-L747 HydrophobicContact CZ-CB 4.34Å; F374-L747 WeakPolarHBondContact CZ-O 3Å; Q410-L747 HydrophobicContact CB-CD2 3.43Å; Q410-L747 VanDerWaalsContact CB-CD2 3.43Å; Q410-L747 HydrophobicContact CB-CG 4.4Å; Q410-L747 HydrophobicContact CG-CD2 3.45Å; Q410-L747 VanDerWaalsContact CG-CD2 3.45Å; Q410-L747 HydrophobicContact CG-CG 4.32Å; I414-L747 HydrophobicContact CD1-CD1 4.29Å; I743-L747 HydrophobicContact CD1-CD1 4.02Å; I743-L747 HydrophobicContact CG1-CD1 3.93Å; I743-L747 WeakPolarHBondContact O-CB 3.17Å; I743-L747 WeakPolarHBondContact O-CG 3.42Å; I743-L747 PolarHBondContact O-N 3.33Å; T744-L747 WeakPolarHBondContact O-CB 3.38Å; T744-L747 PolarHBondContact O-N 3.41Å; N745-L747 VanDerWaalsContact C-N 3.27Å; N745-L747 PolarHBondContact O-N 3.06Å; L747-N751 WeakPolarHBondContact O-CB 3.43Å; L747-N751 PolarHBondContact O-N 3.08Å
748I59.6Low55.4Low59 Ų5972.7 Ų72.730%0.30341%0.407SS..Hα-helixtrans-59.8-57.1172.7-66.9163.3000109.4K340 F374 T744 N745 Y750 N751 V752K340-I748 HydrophobicContact CD-CD1 4Å; K340-I748 HydrophobicContact CD-CG1 4.15Å; F374-I748 HydrophobicContact CE1-CG1 4.42Å; T744-I748 VanDerWaalsContact O-CG1 3.31Å; T744-I748 WeakPolarHBondContact O-CG1 3.33Å; T744-I748 PolarHBondContact O-N 3.34Å; N745-I748 WeakPolarHBondContact O-CB 3.46Å; N745-I748 PolarHBondContact O-N 3.36Å; N745-I748 VanDerWaalsContact O-N 3.14Å; I748-Y750 VanDerWaalsContact C-N 3.28Å; I748-Y750 PolarHBondContact O-N 3.06Å; I748-N751 PolarHBondContact O-N 3.03Å; I748-V752 HydrophobicContact CG2-CG2 3.78Å; I748-V752 VanDerWaalsContact O-CB 3.23Å; I748-V752 WeakPolarHBondContact O-CB 3.48Å; I748-V752 VanDerWaalsContact O-CG2 3.27Å; I748-V752 WeakPolarHBondContact O-CG2 3.4Å; I748-V752 PolarHBondContact O-N 3.38Å
749S60.5Low56Low60 Ų6070.6 Ų70.642%0.4240%0.395SS..Hα-helixtrans-58.9-41.6-174.851.50000111.8N745 T746 N753N745-S749 PolarHBondContact O-N 2.98Å; N745-S749 PolarHBondContact O-OG 3.47Å; T746-S749 WeakPolarHBondContact CA-OG 3.39Å; T746-S749 PolarHBondContact O-OG 3.48Å; S749-N753 WeakPolarHBondContact O-CB 3.43Å; S749-N753 PolarHBondContact O-N 2.91Å; S749-N753 VanDerWaalsContact O-N 3.1Å; S749-N753 PolarHBondContact O-ND2 2.96Å; S749-N753 PolarHBondContact O-OD1 3.36Å
750Y62.4Low56.2Low116 Ų11668.3 Ų68.346%0.45539%0.391SS..Hα-helixtrans-67.6-50.2179.5-167.2-100.4000112.4T746 I748 N753 A754T746-Y750 WeakPolarHBondContact O-CB 3.4Å; T746-Y750 PolarHBondContact O-N 3.16Å; I748-Y750 VanDerWaalsContact C-N 3.28Å; I748-Y750 PolarHBondContact O-N 3.06Å; Y750-N753 PolarHBondContact O-N 2.71Å; Y750-A754 WeakPolarHBondContact O-CB 3.39Å; Y750-A754 PolarHBondContact O-N 3.02Å
751N59.6Low55.8Low1 Ų172.6 Ų72.61%0.00541%0.406CS..Hα-helixtrans-75.8-32.4-176.7-74-31.6000113.2H370 F374 L747 I748 A754 I755H370-N751 PolarHBondContact ND1-OD1 3.07Å; H370-N751 VanDerWaalsContact O-CG 3.32Å; H370-N751 PolarHBondContact O-ND2 3.5Å; F374-N751 HydrophobicContact CE2-CB 3.8Å; F374-N751 WeakPolarHBondContact CE2-ND2 3.36Å; F374-N751 HydrophobicContact CZ-CB 3.83Å; F374-N751 WeakPolarHBondContact CZ-ND2 3.31Å; L747-N751 WeakPolarHBondContact O-CB 3.43Å; L747-N751 PolarHBondContact O-N 3.08Å; I748-N751 PolarHBondContact O-N 3.03Å; N751-A754 PolarHBondContact O-N 3.13Å; N751-I755 WeakPolarHBondContact O-CB 3.2Å; N751-I755 WeakPolarHBondContact O-CD1 3.46Å; N751-I755 WeakPolarHBondContact O-CG1 3.2Å; N751-I755 PolarHBondContact O-N 3.41Å
752V65.4Low55Low38 Ų3877.9 Ų77.923%0.2343%0.428CS..Hα-helixtrans-65.8-42.5172.2171.70000110.2L333 I748 A754 I755 N756L333-V752 HydrophobicContact CD1-CG2 4.34Å; I748-V752 HydrophobicContact CG2-CG2 3.78Å; I748-V752 VanDerWaalsContact O-CB 3.23Å; I748-V752 WeakPolarHBondContact O-CB 3.48Å; I748-V752 VanDerWaalsContact O-CG2 3.27Å; I748-V752 WeakPolarHBondContact O-CG2 3.4Å; I748-V752 PolarHBondContact O-N 3.38Å; V752-A754 VanDerWaalsContact C-N 3.35Å; V752-A754 PolarHBondContact O-N 3.43Å; V752-I755 PolarHBondContact O-N 3.3Å; V752-N756 WeakPolarHBondContact O-CB 3.04Å; V752-N756 PolarHBondContact O-N 3.34Å; V752-N756 PolarHBondContact O-OD1 3.07Å
753N63.3Low54Low105 Ų10579.7 Ų79.756%0.56144%0.438SS*.Hα-helixtrans-63.9-40.6174.5-68.9-6000111.5S749 Y750 N756 S757S749-N753 WeakPolarHBondContact O-CB 3.43Å; S749-N753 PolarHBondContact O-N 2.91Å; S749-N753 VanDerWaalsContact O-N 3.1Å; S749-N753 PolarHBondContact O-ND2 2.96Å; S749-N753 PolarHBondContact O-OD1 3.36Å; Y750-N753 PolarHBondContact O-N 2.71Å; N753-N756 PolarHBondContact O-N 2.68Å; N753-S757 VanDerWaalsContact O-CB 3.28Å; N753-S757 WeakPolarHBondContact O-CB 3.41Å; N753-S757 PolarHBondContact O-N 3.16Å; N753-S757 PolarHBondContact O-OG 3.35Å
754A61.1Low52.9Low16 Ų1688.3 Ų88.313%0.13248%0.475CS..Hα-helixtrans-62.8-44.8175.200000112.6Y750 N751 V752 S757 T758Y750-A754 WeakPolarHBondContact O-CB 3.39Å; Y750-A754 PolarHBondContact O-N 3.02Å; N751-A754 PolarHBondContact O-N 3.13Å; V752-A754 VanDerWaalsContact C-N 3.35Å; V752-A754 PolarHBondContact O-N 3.43Å; A754-S757 WeakPolarHBondContact CA-OG 3.41Å; A754-S757 PolarHBondContact O-N 3.05Å; A754-S757 PolarHBondContact O-OG 2.99Å; A754-T758 PolarHBondContact O-N 3.39Å; A754-T758 PolarHBondContact O-OG1 2.81Å
755I60.8Low51.9Low41 Ų4191.3 Ų91.321%0.2150%0.498CS..Hα-helixtrans-62.3-47.9176.1-69161.5000110.5M371 N751 V752 S757 T758 S759M371-I755 HydrophobicContact CE-CD1 3.71Å; N751-I755 WeakPolarHBondContact O-CB 3.2Å; N751-I755 WeakPolarHBondContact O-CD1 3.46Å; N751-I755 WeakPolarHBondContact O-CG1 3.2Å; N751-I755 PolarHBondContact O-N 3.41Å; V752-I755 PolarHBondContact O-N 3.3Å; I755-S757 VanDerWaalsContact C-N 3.34Å; I755-S757 PolarHBondContact O-N 3.21Å; I755-T758 WeakPolarHBondContact CA-OG1 3.42Å; I755-T758 PolarHBondContact O-N 3.32Å; I755-T758 VanDerWaalsContact O-N 3.16Å; I755-T758 PolarHBondContact O-OG1 2.95Å; I755-S759 PolarHBondContact O-N 3.34Å; I755-S759 VanDerWaalsContact O-N 3.14Å; I755-S759 PolarHBondContact O-OG 2.9Å
756N56.5Low50.8Low81 Ų8192 Ų9243%0.43351%0.507SS..Hα-helixtrans-62.6-41.3178.1-66.8-7.2000111.6V752 N753 T758 S759 D760V752-N756 WeakPolarHBondContact O-CB 3.04Å; V752-N756 PolarHBondContact O-N 3.34Å; V752-N756 PolarHBondContact O-OD1 3.07Å; N753-N756 PolarHBondContact O-N 2.68Å; N756-T758 VanDerWaalsContact C-N 3.25Å; N756-T758 PolarHBondContact O-N 3.48Å; N756-S759 WeakPolarHBondContact CA-OG 3.23Å; N756-S759 PolarHBondContact O-N 2.98Å; N756-S759 PolarHBondContact O-OG 3.27Å; N756-D760 PolarHBondContact O-N 2.85Å
757S50.8Low49.4Very low70 Ų7093.8 Ų93.849%0.4952%0.517SS..Hα-helixtrans-67-22.7177.470.80000114.2N753 A754 I755N753-S757 VanDerWaalsContact O-CB 3.28Å; N753-S757 WeakPolarHBondContact O-CB 3.41Å; N753-S757 PolarHBondContact O-N 3.16Å; N753-S757 PolarHBondContact O-OG 3.35Å; A754-S757 WeakPolarHBondContact CA-OG 3.41Å; A754-S757 PolarHBondContact O-N 3.05Å; A754-S757 PolarHBondContact O-OG 2.99Å; I755-S757 VanDerWaalsContact C-N 3.34Å; I755-S757 PolarHBondContact O-N 3.21Å
758T50.1Low48.2Very low101 Ų101102.8 Ų102.862%0.6256%0.559SS**Hα-helixtrans-86.6-23.3174.843.80000112.8A754 I755 N756A754-T758 PolarHBondContact O-N 3.39Å; A754-T758 PolarHBondContact O-OG1 2.81Å; I755-T758 WeakPolarHBondContact CA-OG1 3.42Å; I755-T758 PolarHBondContact O-N 3.32Å; I755-T758 VanDerWaalsContact O-N 3.16Å; I755-T758 PolarHBondContact O-OG1 2.95Å; N756-T758 VanDerWaalsContact C-N 3.25Å; N756-T758 PolarHBondContact O-N 3.48Å
759S44.4Very low46.8Very low72 Ų72105.1 Ų105.150%0.50358%0.578SS.*Hα-helixtrans-74.4-35.1169.341.70000114I755 N756 M761I755-S759 PolarHBondContact O-N 3.34Å; I755-S759 VanDerWaalsContact O-N 3.14Å; I755-S759 PolarHBondContact O-OG 2.9Å; N756-S759 WeakPolarHBondContact CA-OG 3.23Å; N756-S759 PolarHBondContact O-N 2.98Å; N756-S759 PolarHBondContact O-OG 3.27Å; S759-M761 VanDerWaalsContact C-N 3.33Å; S759-M761 PolarHBondContact O-N 3.07Å
760D39.9Very low45.4Very low130 Ų130109.5 Ų109.570%0.69560%0.597SS**G310 helixtrans-75.8-13.3-173.4-79.3-30.2000114.9N756N756-D760 PolarHBondContact O-N 2.85Å
761M37.6Very low43.9Very low174 Ų174115.7 Ų115.786%0.85762%0.62SS**G310 helixtrans-84.1-4.3177.5-73.8-150.573.600115.3S759S759-M761 VanDerWaalsContact C-N 3.33Å; S759-M761 PolarHBondContact O-N 3.07Å
762M37.8Very low42.4Very low178 Ų178124 Ų12488%0.87766%0.662SS**G310 helixtrans-97.5-2.3-179.6-96.8-179.2172.600115.5K764M762-K764 PolarHBondContact O-N 3.35Å
763N34.2Very low40.7Very low151 Ų151125.5 Ų125.581%0.80769%0.686SS**  trans-10057.7-172.7-122.2-12.9000113.6
764K34.7Very low39.1Very low204 Ų204127.3 Ų127.389%0.88770%0.701SS**  trans-161.150.3173.7-123170-169.1175.60117.8M762M762-K764 PolarHBondContact O-N 3.35Å
765S34.2Very low37.6Very low111 Ų111129.6 Ų129.678%0.77673%0.726SS**SBendtrans-167.6114.9155.446.30000115.8
766T32.9Very low36Very low129 Ų129135.7 Ų135.779%0.79176%0.757SS**  trans58.783135.4-35.10000121.2
767T33.9Very low34.7Very low128 Ų128137.4 Ų137.479%0.78577%0.773SS**  trans17115.5130.655.90000121.2
768Q31.8Very low33.5Very low194 Ų194140.6 Ų140.691%0.90778%0.784SS**  -155.1150.1128.4-86.5-151.73.100110.7
769P31.6Very low32.6Very low108 Ų108139.5 Ų139.570%0.70178%0.784SS**  trans-107.5168.7-170.940.2-35000116.2
770N30.3Very low31.7Very low152 Ų152142.1 Ų142.181%0.81379%0.792SS**  trans68.8110.4159.4-70-20.9000120.3
771R30.2Very low31.4Very low246 Ų246142.1 Ų142.193%0.92879%0.791SS**  -168.7139.489.6-102.4-176.3176.9-171.7-0.5112.2
772I29.5Very low31.2Very low174 Ų174137.8 Ų137.889%0.89277%0.774SS**  trans-79.2129.8175.6-64.2167000109
773G29.2Very low30.9Very low71 Ų71132.9 Ų132.973%0.73276%0.756SS**  trans-143.6115.7172.800000110.2G775G773-G775 PolarHBondContact O-N 3.37Å; G773-G775 VanDerWaalsContact O-N 3.12Å
774T28.6Very low30.6Very low143 Ų143131.4 Ų131.488%0.87775%0.754SS**  trans-71.9100.3-178.247.60000111
775G29.7Very low30.5Very low64 Ų64128 Ų12866%0.6675%0.75SS**  trans-110.5115.9176.600000112G773 P777G773-G775 PolarHBondContact O-N 3.37Å; G773-G775 VanDerWaalsContact O-N 3.12Å; G775-P777 WeakPolarHBondContact O-CD 3.43Å
776I27.7Very low30.3Very low168 Ų168128.4 Ų128.486%0.86275%0.749SS**  trans-84.5115.5173.2-61166.7000108.7
777P29.1Very low30Very low118 Ų118131 Ų13177%0.76675%0.752SS**  trans-89.5112.1176.5-6.126.8000111G775 A779G775-P777 WeakPolarHBondContact O-CD 3.43Å; P777-A779 PolarHBondContact O-N 3.12Å
778L26.8Very low29.8Very low137 Ų137133.3 Ų133.372%0.71775%0.753SS**  trans-67.9115.1171.3-17077.3000110
779A29.4Very low29.5Very low77 Ų77131.4 Ų131.464%0.63675%0.745SS**  trans-126.870.3-17800000113.2P777 I781P777-A779 PolarHBondContact O-N 3.12Å; A779-I781 HydrophobicContact CB-CD1 4.47Å; A779-I781 HydrophobicContact CB-CG1 4.29Å; A779-I781 PolarHBondContact O-N 3.33Å; A779-I781 VanDerWaalsContact O-N 3.13Å
780L26.9Very low29.4Very low127 Ų127131.5 Ų131.567%0.66575%0.748SS**  trans-72.190158-90.5152.8000108.5T782L780-T782 PolarHBondContact O-N 3.32Å
781I34.2Very low29.2Very low131 Ų131134 Ų13467%0.67275%0.747SS**  trans-89.194.7178.2-59.3-179.5000110A779A779-I781 HydrophobicContact CB-CD1 4.47Å; A779-I781 HydrophobicContact CB-CG1 4.29Å; A779-I781 PolarHBondContact O-N 3.33Å; A779-I781 VanDerWaalsContact O-N 3.13Å
782T31.9Very low29.2Very low83 Ų83131.3 Ų131.351%0.50975%0.745SS.*  trans-64.3138.9151.243.20000109.6L780L780-T782 PolarHBondContact O-N 3.32Å
783P32.4Very low29.3Very low74 Ų74131.6 Ų131.648%0.48174%0.74SS.*  trans-65.9147173.929.9-35000110.3T785P783-T785 PolarHBondContact O-N 3.46Å
784P28.6Very low29.4Very low120 Ų120135.6 Ų135.678%0.77974%0.744SS**  trans-70.8113.9175.828.8-32.7000109.9T786P784-T786 PolarHBondContact O-N 3.19Å
785T30.8Very low29.5Very low132 Ų132132.6 Ų132.681%0.8174%0.742SS**  trans-73.3103.2162.434.90000109.1P783 Q787P783-T785 PolarHBondContact O-N 3.46Å; T785-Q787 PolarHBondContact O-N 2.94Å; T785-Q787 VanDerWaalsContact O-N 3.15Å
786T30.3Very low29.4Very low121 Ų121135.3 Ų135.374%0.74275%0.746SS**  trans-58.5113.9167.8-20.70000109P784 H788P784-T786 PolarHBondContact O-N 3.19Å; T786-H788 PolarHBondContact O-N 3.19Å
787Q26.5Very low29.7Very low183 Ų183136.8 Ų136.886%0.85575%0.746SS**  trans-70.698.7171.1-72.9-176.3-1100108.9T785 Q789T785-Q787 PolarHBondContact O-N 2.94Å; T785-Q787 VanDerWaalsContact O-N 3.15Å; Q787-Q789 PolarHBondContact O-N 3.49Å
788H29.3Very low29.8Very low176 Ų176136.8 Ų136.882%0.81574%0.74SS**  trans-70.5107.3163.2-95-80.1000108.9T786 S790T786-H788 PolarHBondContact O-N 3.19Å; H788-S790 PolarHBondContact O-N 3.39Å; H788-S790 VanDerWaalsContact O-N 3.12Å
789Q26.1Very low30Very low155 Ų155136.1 Ų136.172%0.72474%0.737SS**  trans-64.5107.3165.8-73.3179.2-16.400109Q787 Y791Q787-Q789 PolarHBondContact O-N 3.49Å; Q789-Y791 PolarHBondContact O-N 3.29Å
790S29.2Very low29.9Very low109 Ų109138.6 Ų138.676%0.76274%0.739SS**  trans-71.9103.9165.1500000109.1H788 E792H788-S790 PolarHBondContact O-N 3.39Å; H788-S790 VanDerWaalsContact O-N 3.12Å; S790-E792 PolarHBondContact O-N 2.97Å; S790-E792 VanDerWaalsContact O-N 3.13Å
791Y27.3Very low30.1Very low204 Ų204139.5 Ų139.580%0.875%0.745SS**  trans-67.9101.4166.4-86.5-93.4000109.7Q789Q789-Y791 PolarHBondContact O-N 3.29Å
792E30.6Very low29.9Very low190 Ų190137.4 Ų137.489%0.88874%0.742SS**  trans-103.7131.1155.2-73.8-165.4145.800109.5S790S790-E792 PolarHBondContact O-N 2.97Å; S790-E792 VanDerWaalsContact O-N 3.13Å
793K31.2Very low29.8Very low180 Ų180140.4 Ų140.478%0.78375%0.754SS**  trans-110.4141.2-174.9-123.5-176.4-178.21800109.6
794N29.8Very low29.6Very low155 Ų155146.3 Ų146.383%0.82977%0.768SS**  trans78.8115.9161.6-54.8-9.9000117.4
795G30.9Very low29.7Very low80 Ų80151.3 Ų151.383%0.82577%0.773SS**  trans-174.957.3171.500000110.1
796V28.4Very low29.5Very low122 Ų122153.7 Ų153.774%0.73977%0.774SS**  trans-75.1125.2-179.9174.80000109.8
797F33.1Very low29.6Very low199 Ų199153 Ų15387%0.87378%0.775SS**  trans-148.795.4151.5-110.4-73.6000111.4
798D31.4Very low29.6Very low117 Ų117151.6 Ų151.663%0.62677%0.773SS**  trans23.9132.9143.4-75.1-30.3000124.5
799N31Very low29.8Very low123 Ų123150.9 Ų150.966%0.65878%0.775SS**  85.7106.2129.8-72.5-32.2000122.8
800N28.3Very low29.9Very low129 Ų129150.7 Ų150.769%0.6978%0.779SS**  57.2102.2120.1-56.4-19.1000119.7
801N31.7Very low30Very low146 Ų146151.4 Ų151.478%0.78178%0.779SS**  -175.3139.293.6-102.1-23.9000113.1
802S28.9Very low30.3Very low87 Ų87150.9 Ų150.961%0.60878%0.783SS**  38.1132.1116.61070000117.9
803L30.5Very low30.3Very low146 Ų146149.5 Ų149.576%0.76478%0.777SS**  cis-156.4167.325.4-81149.3000111.1
804Y27.1Very low30.5Very low199 Ų199149.6 Ų149.678%0.7879%0.785SS**  trans-4.9141.6151.5-63.1-100.9000119.2
805Y31.1Very low30.5Very low225 Ų225150.3 Ų150.388%0.88278%0.784SS**  -162.8129.1103.2-105.2-72.3000112.8
806H27.6Very low30.6Very low181 Ų181151.7 Ų151.784%0.83878%0.78SS**  trans-89.6139.9161-126.552.8000107.7
807S30.9Very low30.8Very low107 Ų107152.1 Ų152.175%0.74878%0.783SS**  trans-161.9115.9158-83.20000111.9
808N26.9Very low30.9Very low154 Ų154150.2 Ų150.282%0.82478%0.781SS**  trans-65.4150.2149.1-71.4-40.2000108.6
809N33.7Very low30.9Very low161 Ų161152 Ų15286%0.86179%0.79SS**  trans-153.6138.3143.5-101.3-28000111.7
810N27.6Very low31.3Very low150 Ų150151 Ų15180%0.80279%0.789SS**  trans-93.3176.3171-87.1-46.6000110.1
811V31.5Very low31.6Very low124 Ų124153.8 Ų153.875%0.75280%0.796SS**  trans82.7108161.1-166.10000115.4
812E34.2Very low31.8Very low193 Ų193151.3 Ų151.390%0.90279%0.79SS**  -153.9153.6106.5-109.2178.5-178.100112.2
813Q30.2Very low32.3Very low161 Ų161154.1 Ų154.175%0.75280%0.796SS**  trans-100.2147.7-169.9-61.9171.1-18.500111.6
814L35.2Very low32.5Very low183 Ų183154.1 Ų154.196%0.95880%0.796SS**  trans-142.4132.5142.6-89.2178.6000109.8
815Q29.5Very low32.9Very low170 Ų170150.2 Ų150.279%0.79480%0.795SS**  trans-98.7144.1-173.6-66.1172.6-45.700112.4
816S33.7Very low33.3Very low108 Ų108148.8 Ų148.876%0.75580%0.796SS**  -170115.3125.419.10000112.6
817T32.2Very low33.5Very low131 Ų131146.7 Ų146.780%0.80479%0.79SS**  39.7129.7122.5-1.50000118.4
818I35.7Very low33.7Very low159 Ų159147.4 Ų147.482%0.81580%0.796SS**  cis-153.715141-72.6168.2000111.6
819L30.6Very low34Very low156 Ų156144.7 Ų144.782%0.81779%0.789SS**  trans-114-165.2175.6-98.7171.7000109.9
820P39.5Very low34.2Very low100 Ų100145 Ų14565%0.64979%0.791SS**  cis-135.3-178-24.227.5-4.9000114.5
821K36.2Very low34.4Very low189 Ų189144 Ų14482%0.82279%0.785SS**  166.2108.2128.7-92.9168.6-178.4179.60111.4
822S35.7Very low34.7Very low94 Ų94148.2 Ų148.266%0.65779%0.794SS**  78.7125.389.574.50000113.6
823I37.7Very low34.6Very low146 Ų146145.2 Ų145.275%0.74978%0.784SS**  -167.8128.369.9-85.3162.9000112.4
824I36.2Very low34.8Very low145 Ų145142 Ų14274%0.74478%0.779SS**  trans50.8132.4134.7-49.9177.5000122.6
825P35.8Very low34.8Very low117 Ų117140.3 Ų140.376%0.7677%0.77SS**  trans-101.6173.3172.741.1-35.5000114.7
826H38.2Very low35.1Very low196 Ų196138.8 Ų138.891%0.90777%0.767SS**  trans-127.5145.5166.2-106.2-83.1000113.3
827N31.5Very low35.2Very low136 Ų136137.4 Ų137.473%0.72776%0.758SS**  trans-112.6148.1-171.5-16610.4000110.1
828S36.2Very low35.4Very low123 Ų123138.2 Ų138.286%0.8676%0.755SS**  trans-155.294171.6-71.20000110.7
829S32.7Very low35.4Very low96 Ų96135.9 Ų135.967%0.67175%0.751SS**  trans-81.7151.2172.938.50000111.7
830N37.3Very low35.8Very low169 Ų169137.6 Ų137.690%0.90475%0.752SS**  trans-152.8115.1146.3-107.5-22.3000110.6
831N32.2Very low35.6Very low127 Ų127137.4 Ų137.468%0.67975%0.753SS**  trans-74.3152.3168.9-76.7-31.1000109.8
832F37.2Very low35.6Very low214 Ų214134.5 Ų134.594%0.93975%0.753SS**  trans-143.8122.2130.4-107.6-75.5000110.9
833N34Very low35.8Very low130 Ų130136.8 Ų136.870%0.69576%0.763SS**  trans-69.3161.1179-60.4-47.5000111.6
834S34.2Very low35.5Very low93 Ų93137.4 Ų137.465%0.6577%0.769SS**  150.6140.894.558.40000115.1
835L35Very low35.7Very low148 Ų148136.4 Ų136.478%0.77577%0.774SS**  trans66.6152.2159.3-51.8143000115.5
836N35.8Very low35.7Very low137 Ų137137.9 Ų137.973%0.73378%0.776SS**  cis-169165.4-13.2-105.43.3000107.7
837S34.5Very low35.7Very low79 Ų79136.8 Ų136.855%0.55277%0.773SS**  cis-177.7143.4-22.553.50000111.3
838I37.1Very low36.1Very low148 Ų148139.1 Ų139.176%0.75978%0.782SS**  trans75.1140.1158.3-61.1162.1000118.1
839P36.6Very low35.9Very low110 Ų110144.5 Ų144.571%0.71478%0.783SS**  trans-112.9166.7-175.242.2-33.9000115.3
840F37.6Very low36.6Very low193 Ų193145 Ų14585%0.84678%0.784SS**  trans-150.5122.6166-95.6-75.6000116.8
841S35.5Very low36.7Very low96 Ų96142.8 Ų142.867%0.67178%0.776SS**  trans33.6142.5139.859.90000125
842P37.4Very low36.8Very low127 Ų127145.2 Ų145.283%0.82578%0.784SS**  trans-93.4163.3165.739-34.3000113.8
843T39.1Very low36.8Very low142 Ų142144.6 Ų144.687%0.87178%0.784SS**  trans-139144.6171.743.30000113.8
844N32.2Very low36.7Very low160 Ų160147.4 Ų147.486%0.85679%0.793SS**  trans-86.6156.1175.6-95.4-31.2000112
845S39.2Very low36.8Very low123 Ų123152.3 Ų152.386%0.8681%0.806SS**  trans-144.6135.2150.253.90000111.1
846N37Very low36.8Very low148 Ų148150 Ų15079%0.79180%0.8SS**  trans-109.8173-169.5-105.2-36000111.7
847M37Very low36.7Very low173 Ų173151 Ų15185%0.85280%0.803SS**  trans97.3111153.1-49.3-160.676.400118.4
848M39.4Very low36.9Very low186 Ų186152.2 Ų152.292%0.91681%0.809SS**  -167.2165.589.6-89.3-176.893.900111.6
849R34.1Very low36.7Very low236 Ų236152.6 Ų152.689%0.89181%0.812SS**  trans-150-176.8-169.6-119.7-168.5-179.8-1742.9106.8
850P46.2Very low36.7Very low106 Ų106151.7 Ų151.769%0.68881%0.814SS**  cis-134.2-157.9-3239.2-19.9000112
851V39Very low36.5Very low122 Ų122150.9 Ų150.974%0.73982%0.815SS**  trans137.296.1150.9168.90000109.6
852Q35.8Very low36.2Very low178 Ų178151.7 Ų151.783%0.83282%0.816SS**  67.1109.985.8-93.4-173.7-14.200116.5
853Q36.9Very low36.1Very low201 Ų201155.8 Ų155.894%0.93982%0.817SS**  -165.6154.8116.9-104.6173.213.600112
854Q32.2Very low35.7Very low189 Ų189156.6 Ų156.688%0.88381%0.811SS**  trans-115.5156.2-176.1-61.9164.4-3600110.1
855Q35.3Very low35.5Very low197 Ų197156.6 Ų156.692%0.92181%0.81SS**  -171.9159.6128.9-104.1176.811.500112.8
856P35.3Very low35.1Very low100 Ų100159.9 Ų159.965%0.64981%0.809SS**  trans-133.4156.3-161.541.5-25.1000118.2
857I34.5Very low34.9Very low158 Ų158157.6 Ų157.681%0.8180%0.802SS**  trans67.3164.3143.1-68.7169.3000115.7
858P38.4Very low34.6Very low103 Ų103155.1 Ų155.167%0.66980%0.797SS**  cis-131.1166.3-0.919.96.2000119.6
859N33.1Very low34.2Very low156 Ų156152.3 Ų152.383%0.83479%0.79SS**  trans64.8134.8134.1-63.7-8.8000127.4
860A34.7Very low34.2Very low91 Ų91147 Ų14775%0.75279%0.79SS**  trans77.6114.5134.200000122.1
861M35.1Very low33.4Very low176 Ų176146.7 Ų146.787%0.86779%0.79SS**  -163.6156.792-93.9-169.2-168.300112
862T29.1Very low33.3Very low113 Ų113149.3 Ų149.369%0.69380%0.798SS**  trans-131.9130.2-169.1-600000111.5
863Y34.2Very low33.2Very low214 Ų214146.3 Ų146.384%0.83979%0.792SS**  trans-150.396.1157.9-72.4-72.9000107.7
864Q31.9Very low33.1Very low158 Ų158144.8 Ų144.874%0.73879%0.787SS**  71.4123.885.2-78.4-158-23.700116
865L26.5Very low33.3Very low161 Ų161141.2 Ų141.284%0.84378%0.78SS**  trans-86.8157.3171.7-69.785000111.4
866F31.8Very low33.3Very low192 Ų192138.2 Ų138.284%0.84278%0.775SS**  trans-141.5132.3153.3-91.2-78.7000111
867P32.3Very low33.6Very low100 Ų100139.4 Ų139.465%0.64978%0.783SS**  trans-120.8176.3167.540.6-30.4000113.6
868T30.6Very low33.4Very low121 Ų121140.1 Ų140.174%0.74279%0.785SS**  trans83.4115.3159.861.50000122
869T32Very low33.2Very low126 Ų126145.6 Ų145.677%0.77380%0.799SS**  trans57.9125.1133.161.10000122.5
870S33.5Very low33Very low126 Ų126144.2 Ų144.288%0.88179%0.791SS**  -177.1162.1101.239.20000113.2
871S29.8Very low32.9Very low99 Ų99148.5 Ų148.569%0.69280%0.796SS**  trans-94.3160.6-171.451.60000114.6
872I35.9Very low32.5Very low177 Ų177147.1 Ų147.191%0.90879%0.792SS**  trans-157.3161.3143.3-100.4145.9000109.6
873T33.3Very low32.7Very low114 Ų114148.5 Ų148.570%0.69980%0.8SS**  trans-141.7169.1-147.4-29.80000112.4
874M34.7Very low32.4Very low169 Ų169142.9 Ų142.983%0.83379%0.792SS**  trans80.2159.6158.8-62.2-67-135.700118.6
875P37.4Very low32.4Very low114 Ų114142.7 Ų142.774%0.7480%0.796SS**  cis-136.9167-30.233.1-14.7000115.6
876T35.3Very low32.7Very low134 Ų134139.7 Ų139.782%0.82279%0.788SS**  trans-76.2166.5163.726.80000113.5
877P40.8Very low32.7Very low126 Ų126137.4 Ų137.482%0.81879%0.785SS**  -130.7159.612937-28.5000114.3
878M29.9Very low32.8Very low172 Ų172140.7 Ų140.785%0.84780%0.797SS**  trans-80.1157.1178.5-68.2-174.5154.700113.1
879F35.5Very low33Very low219 Ų219142.4 Ų142.496%0.96180%0.801SS**  -144.5155.3126.5-115.1-81000111
880N27.7Very low33.4Very low126 Ų126144.6 Ų144.667%0.67481%0.806SS**  trans-133.3131.2-162.4176.924.2000109.1
881Q33.3Very low33.8Very low181 Ų181147.4 Ų147.485%0.84680%0.803SS**  trans179136.9143.3-101.2163.527.200114.2
882N27.2Very low34.5Very low148 Ų148148.5 Ų148.579%0.79181%0.807SS**  trans-28.1141.8165.9-51.6-31.7000117.4
883V33.5Very low35.9Very low141 Ų141145.3 Ų145.386%0.85579%0.791SS**  -158.5144111.5163.30000108.9
884S28.2Very low38Very low96 Ų96142.7 Ų142.767%0.67178%0.777SS**  trans-70.4142.2178.6480000115.3
885N32Very low39.4Very low154 Ų154142.1 Ų142.182%0.82477%0.77SS**  trans-173.5141131.1-102.4-18.8000116.9
886S31.5Very low41Very low98 Ų98140.9 Ų140.969%0.68576%0.764SS**  trans40.9117.8146.6630000123.3
887N31.4Very low42.8Very low145 Ų145139 Ų13978%0.77575%0.745SS**  22.8129.4128-60.6-15.4000120.2
888N35.8Very low44.2Very low169 Ų169136.7 Ų136.790%0.90473%0.726SS**  trans-145.5101141.8-96.9-38.9000111.1
889L34.4Very low46.4Very low157 Ų157132.5 Ų132.582%0.82271%0.707SS**  trans-77.9135.3162.7-10377.4000108.7K891L889-K891 PolarHBondContact O-N 3.23Å; L889-K891 VanDerWaalsContact O-N 3.1Å
890I39.3Very low48.3Very low171 Ų171128.1 Ų128.188%0.87769%0.693SS**  trans-68.1107.4169.2-61.9166.8000108.1
891K42.9Very low50Low186 Ų186128.6 Ų128.681%0.80970%0.695SS**PPolyproline II helixtrans-86.1137.7167.8-100.2-176173.5-177.80109.6L889L889-K891 PolarHBondContact O-N 3.23Å; L889-K891 VanDerWaalsContact O-N 3.1Å
892P45.3Very low51.1Low121 Ų121126.7 Ų126.779%0.78669%0.69SS**PPolyproline II helixtrans-69.1143.7166.330.1-33000110.3
893L64.6Low52.7Low111 Ų111126.5 Ų126.558%0.58170%0.7SS**PPolyproline II helixtrans-58.6143176.6-75.5152.8000111.3E897 I898L893-E897 HydrophobicContact CD2-CB 3.84Å; L893-E897 HydrophobicContact CD2-CG 4.37Å; L893-I898 HydrophobicContact CB-CG1 4.38Å
894S76.2Confident53.7Low58 Ų58125.8 Ų125.841%0.40669%0.692SS.*PPolyproline II helixtrans-77.5160.2174.871.90000111.3C896 E897 I898S894-C896 VanDerWaalsContact C-N 3.27Å; S894-C896 PolarHBondContact O-N 3.25Å; S894-E897 WeakPolarHBondContact CA-OE2 2.82Å; S894-E897 VanDerWaalsContact CB-OE2 3.25Å; S894-E897 WeakPolarHBondContact CB-OE2 3.49Å; S894-E897 PolarHBondContact N-OE2 3.06Å; S894-E897 PolarHBondContact O-N 2.86Å; S894-E897 VanDerWaalsContact O-N 3.14Å; S894-E897 PolarHBondContact OG-OE2 3.38Å; S894-I898 PolarHBondContact O-N 3.19Å
895K64.4Low55Low157 Ų157127.3 Ų127.368%0.68369%0.693SS**Hα-helixtrans-59.1-36.8-177.3-170.9179174-172.80112.8E897 I898 D899K895-E897 PolarHBondContact O-N 3.41Å; K895-I898 WeakPolarHBondContact O-CB 3.45Å; K895-I898 PolarHBondContact O-N 2.92Å; K895-D899 PolarHBondContact O-N 3.27Å
896C71Confident56.3Low89 Ų89125.8 Ų125.860%0.60169%0.686SS**Hα-helixtrans-65.1-38178.2-53.90000112.5S894 I898 D899 D900S894-C896 VanDerWaalsContact C-N 3.27Å; S894-C896 PolarHBondContact O-N 3.25Å; C896-I898 PolarHBondContact O-N 2.96Å; C896-D899 PolarHBondContact O-N 3.29Å; C896-D900 PolarHBondContact O-N 2.78Å
897E73.1Confident57.8Low94 Ų94127.5 Ų127.544%0.43969%0.686SS.*Hα-helixtrans-70.5-20.4176.9-64.2160.8121.900112.4L893 S894 K895 L901L893-E897 HydrophobicContact CD2-CB 3.84Å; L893-E897 HydrophobicContact CD2-CG 4.37Å; S894-E897 WeakPolarHBondContact CA-OE2 2.82Å; S894-E897 VanDerWaalsContact CB-OE2 3.25Å; S894-E897 WeakPolarHBondContact CB-OE2 3.49Å; S894-E897 PolarHBondContact N-OE2 3.06Å; S894-E897 PolarHBondContact O-N 2.86Å; S894-E897 VanDerWaalsContact O-N 3.14Å; S894-E897 PolarHBondContact OG-OE2 3.38Å; K895-E897 PolarHBondContact O-N 3.41Å; E897-L901 WeakPolarHBondContact O-CD1 3.4Å
898I71.1Confident59.4Low78 Ų78126.4 Ų126.440%0.468%0.68SS.*Hα-helixtrans-82.2-41.2172.5-63.3169.4000110.2L893 S894 K895 C896 L901 L902L893-I898 HydrophobicContact CB-CG1 4.38Å; S894-I898 PolarHBondContact O-N 3.19Å; K895-I898 WeakPolarHBondContact O-CB 3.45Å; K895-I898 PolarHBondContact O-N 2.92Å; C896-I898 PolarHBondContact O-N 2.96Å; I898-L901 PolarHBondContact O-N 3.13Å; I898-L902 HydrophobicContact CG2-CD1 3.93Å; I898-L902 WeakPolarHBondContact O-CG 3.29Å; I898-L902 PolarHBondContact O-N 3.48Å
899D75.7Confident61Low84 Ų84123.5 Ų123.545%0.44967%0.666SS.*Hα-helixtrans-67.7-38.7178.9-66.8-27.5000111.2K895 C896 L901 L902 S903K895-D899 PolarHBondContact O-N 3.27Å; C896-D899 PolarHBondContact O-N 3.29Å; D899-L901 VanDerWaalsContact C-N 3.27Å; D899-L901 PolarHBondContact O-N 3.3Å; D899-L902 PolarHBondContact O-N 2.81Å; D899-L902 VanDerWaalsContact O-N 3.16Å; D899-S903 PolarHBondContact O-N 3.27Å
900D75.8Confident62.9Low126 Ų126121.1 Ų121.167%0.67465%0.654SS**THydrogen-bonded Turntrans-68.3-18.6173-79.9-9.5000114C896 S903C896-D900 PolarHBondContact O-N 2.78Å; D900-S903 PolarHBondContact O-OG 3.31Å
901L63.5Low64.7Low137 Ų137117.3 Ų117.372%0.71764%0.637SS**THydrogen-bonded Turntrans-90.3-6.5173.9-91.1169.4000113E897 I898 D899E897-L901 WeakPolarHBondContact O-CD1 3.4Å; I898-L901 PolarHBondContact O-N 3.13Å; D899-L901 VanDerWaalsContact C-N 3.27Å; D899-L901 PolarHBondContact O-N 3.3Å
902L56.7Low66.5Low140 Ų140111.6 Ų111.673%0.73362%0.623SS**THydrogen-bonded Turntrans-113.3-3.8-178.7-69.9171.9000113.2I898 D899I898-L902 HydrophobicContact CG2-CD1 3.93Å; I898-L902 WeakPolarHBondContact O-CG 3.29Å; I898-L902 PolarHBondContact O-N 3.48Å; D899-L902 PolarHBondContact O-N 2.81Å; D899-L902 VanDerWaalsContact O-N 3.16Å
903S60.8Low68.4Low144 Ų144110.7 Ų110.7100%1.00761%0.608SS**  trans-93.60170.463.40000112.5D899 D900D899-S903 PolarHBondContact O-N 3.27Å; D900-S903 PolarHBondContact O-OG 3.31Å

Retrieved 903 of 903 residues in 1532.3 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).