A0A5K4EJ59_SCHMA Loading...

Phospholipid-transporting ATPase

AlphaFold DB , UniProt , Accession A0A5K4EJ59, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,195 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
1M32Very low44.6Very low237 Ų237130.3 Ų130.3100%1.16763%0.632SS**  060.20-154.3-174.4-80.200109.7
2Y34Very low46.7Very low237 Ų237123.1 Ų123.193%0.92961%0.605SS**  trans-108.744.7172.5-104-84.2000108.8
3N30.4Very low48.6Very low144 Ų144115.6 Ų115.677%0.7757%0.57SS**  trans-70.8147.5172.4-90.4-10.3000108.7
4T31.4Very low50.3Low133 Ų133108.6 Ų108.682%0.81654%0.54SS*.SBendtrans82.3106.1166.829.30000118.4
5F41.6Very low51.9Low197 Ų197103.7 Ų103.786%0.86451%0.514SS*.  trans111.439.9170.1-71.5-75.8000117.6K7F5-K7 PolarHBondContact O-N 2.79Å
6L45Very low53.5Low96 Ų9697.5 Ų97.550%0.50348%0.483SS..PPolyproline II helixtrans-74117.8157.2-75.2158.8000108.3V110 E230L6-V110 HydrophobicContact CD1-CB 3.84Å; L6-V110 HydrophobicContact CD1-CG1 4.36Å; L6-V110 HydrophobicContact CD1-CG2 3.78Å; L6-V110 HydrophobicContact CD2-CG2 4.16Å; L6-V110 HydrophobicContact CG-CG2 4.45Å; L6-E230 WeakPolarHBondContact CD2-OE2 3.39Å
7K47.3Very low54.9Low172 Ų17297.6 Ų97.675%0.74849%0.486SS*.PPolyproline II helixtrans-69.2146-176.3-75.1174.6179.7167.70110.2F5F5-K7 PolarHBondContact O-N 2.79Å
8P47.9Very low56.2Low94 Ų94103.1 Ų103.161%0.6151%0.507SS*.PPolyproline II helixtrans-55.8154.9173.824-33.4000110.8F10P8-F10 PolarHBondContact O-N 3.47Å
9L56Low57.6Low0 Ų0105.6 Ų105.60%052%0.522CS..  trans-73.551.5-171.8-151.4148.5000111.8F11 N88 W105 K106 L108 A124 T227L9-F11 PolarHBondContact O-N 2.95Å; L9-N88 PolarHBondContact O-OD1 2.88Å; L9-W105 VanDerWaalsContact CB-O 3.24Å; L9-W105 WeakPolarHBondContact CB-O 3.23Å; L9-W105 WeakPolarHBondContact CD1-O 3.28Å; L9-W105 HydrophobicContact CD2-CB 4.31Å; L9-W105 WeakPolarHBondContact CD2-O 3.28Å; L9-W105 WeakPolarHBondContact CG-O 3.36Å; L9-K106 PolarHBondContact N-O 2.84Å; L9-L108 HydrophobicContact CD1-CB 3.72Å; L9-L108 HydrophobicContact CD1-CD2 3.81Å; L9-L108 HydrophobicContact CD1-CG 4.08Å; L9-A124 HydrophobicContact CD1-CB 4.43Å; L9-T227 HydrophobicContact CD1-CG2 3.82Å
10F59Low58.9Low106 Ų106102.6 Ų102.647%0.46551%0.509SS..  trans-82.499.3178.3-116.7-88000109.7P8 S12P8-F10 PolarHBondContact O-N 3.47Å; F10-S12 PolarHBondContact O-N 3.1Å
11F66.3Low60.2Low17 Ų1799.6 Ų99.68%0.07549%0.493CS..  trans-68.4125.5157.9176.1-100.3000107.8L9 T13 D84 T87 N88 M234L9-F11 PolarHBondContact O-N 2.95Å; F11-T13 HydrophobicContact CE1-CG2 3.63Å; F11-T13 HydrophobicContact CE2-CG2 4.09Å; F11-T13 HydrophobicContact CZ-CG2 3.34Å; F11-D84 HydrophobicContact CD1-CB 4.17Å; F11-D84 VanDerWaalsContact CE1-OD1 3.27Å; F11-D84 WeakPolarHBondContact CE1-OD1 3.37Å; F11-T87 HydrophobicContact CD1-CG2 4.5Å; F11-N88 WeakPolarHBondContact CB-OD1 3.45Å; F11-N88 PolarHBondContact N-OD1 3.37Å; F11-N88 PolarHBondContact O-ND2 3.11Å; F11-M234 HydrophobicContact CD2-SD 3.76Å; F11-M234 HydrophobicContact CE2-CE 4.32Å; F11-M234 HydrophobicContact CE2-SD 3.81Å
12S70.2Confident62.9Low44 Ų4494 Ų9431%0.30847%0.467SS..  trans-146.1118.2175.1-175.80000110.1F10 D84F10-S12 PolarHBondContact O-N 3.1Å; S12-D84 WeakPolarHBondContact CA-OD2 3.3Å
13T70.7Confident65.5Low26 Ų2686.1 Ų86.116%0.1645%0.445CS..  trans-96.7-3.4171.166.60000112.1F11 D84F11-T13 HydrophobicContact CE1-CG2 3.63Å; F11-T13 HydrophobicContact CE2-CG2 4.09Å; F11-T13 HydrophobicContact CZ-CG2 3.34Å; T13-D84 WeakPolarHBondContact CB-OD1 3.46Å; T13-D84 WeakPolarHBondContact CG2-OD1 3.25Å; T13-D84 PolarHBondContact N-OD1 2.89Å; T13-D84 PolarHBondContact N-OD2 3.29Å; T13-D84 VanDerWaalsContact OG1-CG 3.31Å; T13-D84 PolarHBondContact OG1-OD1 3.4Å; T13-D84 PolarHBondContact OG1-OD2 2.89Å
14A73.2Confident68.1Low17 Ų1784.2 Ų84.214%0.1443%0.43CS..  trans-58.4144.8176.300000113.3H81 D84A14-H81 WeakPolarHBondContact CB-CE1 3.45Å; A14-H81 VanDerWaalsContact CB-NE2 3.3Å; A14-H81 WeakPolarHBondContact CB-NE2 3.45Å; A14-D84 PolarHBondContact N-OD2 2.84Å
15K73.2Confident70.7Confident35 Ų3578.6 Ų78.615%0.15239%0.394CS..SBendtrans-75.1-36.8177.6-66.3172.9179.71660110.9K24 E73 E76 D77K15-K24 PolarHBondContact O-NZ 3.31Å; K15-K24 VanDerWaalsContact O-NZ 3.1Å; K15-E73 IonicContact NZ-OE2 3.54Å; K15-E73 PolarHBondContact NZ-OE2 3.04Å; K15-E76 IonicContact NZ-OE2 2.72Å; K15-E76 PolarHBondContact NZ-OE2 2.81Å; K15-D77 PolarHBondContact N-OD1 3.35Å
16Y77.2Confident72.9Confident5 Ų572.3 Ų72.32%0.0237%0.371CS..  trans-123.8140.2-171.2-46.4-81.4000111.3F21 K24 E28 E73 D77 H81Y16-F21 HydrophobicContact CD1-CD2 4.19Å; Y16-F21 AromaticContact CD2-CD2 3.92Å; Y16-F21 HydrophobicContact CD2-CD2 3.92Å; Y16-F21 HydrophobicContact CD2-CE2 4.37Å; Y16-F21 HydrophobicContact CE2-CD2 4.46Å; Y16-F21 AromaticContact CG-CD2 3.79Å; Y16-F21 HydrophobicContact CG-CD2 3.79Å; Y16-K24 HydrophobicContact CD1-CB 3.82Å; Y16-K24 HydrophobicContact CD1-CD 4.02Å; Y16-K24 HydrophobicContact CE1-CB 3.74Å; Y16-K24 HydrophobicContact CE1-CD 4.44Å; Y16-E28 PolarHBondContact OH-OE2 3.15Å; Y16-E73 HydrophobicContact CE2-CB 4.37Å; Y16-D77 HydrophobicContact CD2-CB 4.15Å; Y16-D77 VanDerWaalsContact O-OD2 3.12Å; Y16-H81 PolarHBondContact O-NE2 3.36Å
17N78.7Confident74.8Confident99 Ų9971.4 Ų71.453%0.52937%0.37SS..  trans-96.1157.7159.8-62.87.3000108.3L19 T20 F21N17-L19 VanDerWaalsContact C-N 3.26Å; N17-L19 PolarHBondContact O-N 3.17Å; N17-L19 VanDerWaalsContact O-N 3.08Å; N17-T20 PolarHBondContact N-OG1 3.4Å; N17-T20 CarbonylContact O-C 3.57Å; N17-T20 WeakPolarHBondContact O-CA 3.28Å; N17-T20 PolarHBondContact O-N 3.26Å; N17-T20 PolarHBondContact O-OG1 3.06Å; N17-F21 PolarHBondContact O-N 3.49Å
18F77.5Confident76.3Confident197 Ų19764.4 Ų64.486%0.86434%0.34SS*.THydrogen-bonded Turntrans-43.4-47.9-179.9-176.3-100.7000113.9
19L82.3Confident78Confident151 Ų15160 Ų6079%0.79131%0.311SS*.THydrogen-bonded Turntrans-75.9-23.4179.6-64.8173000114.5N17N17-L19 VanDerWaalsContact C-N 3.26Å; N17-L19 PolarHBondContact O-N 3.17Å; N17-L19 VanDerWaalsContact O-N 3.08Å
20T84.8Confident79.3Confident44 Ų4462.6 Ų62.627%0.2732%0.323SS..THydrogen-bonded Turntrans-97.7-10.4-175.662.10000113.4N17 P23 K24N17-T20 PolarHBondContact N-OG1 3.4Å; N17-T20 CarbonylContact O-C 3.57Å; N17-T20 WeakPolarHBondContact O-CA 3.28Å; N17-T20 PolarHBondContact O-N 3.26Å; N17-T20 PolarHBondContact O-OG1 3.06Å; T20-P23 WeakPolarHBondContact O-CD 3.36Å; T20-K24 VanDerWaalsContact O-CB 3.26Å; T20-K24 WeakPolarHBondContact O-CB 3.41Å; T20-K24 WeakPolarHBondContact O-CG 3.33Å; T20-K24 PolarHBondContact O-N 3.22Å; T20-K24 VanDerWaalsContact O-N 3.13Å
21F86.7Confident80.3Confident41 Ų4164.9 Ų64.918%0.1833%0.328CS..Hα-helixtrans-55.2-59.6-179.4175.8-104000111.3Y16 N17 K24 F25 A70 E73 V74Y16-F21 HydrophobicContact CD1-CD2 4.19Å; Y16-F21 AromaticContact CD2-CD2 3.92Å; Y16-F21 HydrophobicContact CD2-CD2 3.92Å; Y16-F21 HydrophobicContact CD2-CE2 4.37Å; Y16-F21 HydrophobicContact CE2-CD2 4.46Å; Y16-F21 AromaticContact CG-CD2 3.79Å; Y16-F21 HydrophobicContact CG-CD2 3.79Å; N17-F21 PolarHBondContact O-N 3.49Å; F21-K24 PolarHBondContact O-N 2.96Å; F21-F25 HydrophobicContact CE2-CB 4.42Å; F21-F25 HydrophobicContact CZ-CB 4.41Å; F21-F25 HydrophobicContact CZ-CD2 4.35Å; F21-F25 HydrophobicContact CZ-CG 4.27Å; F21-F25 WeakPolarHBondContact O-CB 3.38Å; F21-F25 PolarHBondContact O-N 3.44Å; F21-A70 HydrophobicContact CZ-CB 4.36Å; F21-E73 HydrophobicContact CE2-CB 4.36Å; F21-V74 HydrophobicContact CE1-CG2 4.03Å; F21-V74 HydrophobicContact CE2-CG2 3.71Å; F21-V74 HydrophobicContact CZ-CG2 3.43Å; F21-V74 VanDerWaalsContact CZ-CG2 3.43Å
22I87.3Confident80.6Confident118 Ų11864.7 Ų64.761%0.60533%0.327SS*.Hα-helixtrans-57.7-55.8-176.8-59175.8000112.7K24 F25 V26I22-K24 PolarHBondContact O-N 3.33Å; I22-F25 PolarHBondContact O-N 2.88Å; I22-V26 HydrophobicContact CG2-CG2 4.25Å; I22-V26 WeakPolarHBondContact O-CB 3.12Å; I22-V26 VanDerWaalsContact O-CG2 3.25Å; I22-V26 WeakPolarHBondContact O-CG2 3.41Å; I22-V26 PolarHBondContact O-N 3.31Å
23P88.4Confident80.9Confident73 Ų7369.9 Ų69.947%0.47434%0.341SS..Hα-helixtrans-64.8-39.3-175.923.5-33.6000112.8T20 T27T20-P23 WeakPolarHBondContact O-CD 3.36Å; P23-T27 VanDerWaalsContact O-CB 3.31Å; P23-T27 WeakPolarHBondContact O-CB 3.49Å; P23-T27 PolarHBondContact O-N 2.72Å; P23-T27 VanDerWaalsContact O-N 3.07Å; P23-T27 PolarHBondContact O-OG1 2.89Å
24K85.2Confident81.1Confident103 Ų10369 Ų6945%0.44834%0.336SS..Hα-helixtrans-69.4-45.1176.9-71.5-176.7178.2179.40111.4K15 Y16 T20 F21 I22 T27 E28K15-K24 PolarHBondContact O-NZ 3.31Å; K15-K24 VanDerWaalsContact O-NZ 3.1Å; Y16-K24 HydrophobicContact CD1-CB 3.82Å; Y16-K24 HydrophobicContact CD1-CD 4.02Å; Y16-K24 HydrophobicContact CE1-CB 3.74Å; Y16-K24 HydrophobicContact CE1-CD 4.44Å; T20-K24 VanDerWaalsContact O-CB 3.26Å; T20-K24 WeakPolarHBondContact O-CB 3.41Å; T20-K24 WeakPolarHBondContact O-CG 3.33Å; T20-K24 PolarHBondContact O-N 3.22Å; T20-K24 VanDerWaalsContact O-N 3.13Å; F21-K24 PolarHBondContact O-N 2.96Å; I22-K24 PolarHBondContact O-N 3.33Å; K24-T27 PolarHBondContact O-N 3.36Å; K24-E28 VanDerWaalsContact O-CB 3.28Å; K24-E28 WeakPolarHBondContact O-CB 3.47Å; K24-E28 PolarHBondContact O-N 2.52Å
25F87.2Confident81.4Confident16 Ų1668.2 Ų68.27%0.0733%0.33CS..Hα-helixtrans-59.8-47.8178.6173.4-100.4000111.6F21 I22 E28 Q29 L66 A70 E73F21-F25 HydrophobicContact CE2-CB 4.42Å; F21-F25 HydrophobicContact CZ-CB 4.41Å; F21-F25 HydrophobicContact CZ-CD2 4.35Å; F21-F25 HydrophobicContact CZ-CG 4.27Å; F21-F25 WeakPolarHBondContact O-CB 3.38Å; F21-F25 PolarHBondContact O-N 3.44Å; I22-F25 PolarHBondContact O-N 2.88Å; F25-E28 WeakPolarHBondContact O-CB 3.42Å; F25-E28 PolarHBondContact O-N 2.9Å; F25-Q29 HydrophobicContact CD1-CG 4.39Å; F25-Q29 HydrophobicContact CD2-CG 4.22Å; F25-Q29 HydrophobicContact CE1-CG 3.9Å; F25-Q29 HydrophobicContact CE2-CG 3.72Å; F25-Q29 HydrophobicContact CZ-CG 3.53Å; F25-Q29 WeakPolarHBondContact O-CG 3.24Å; F25-Q29 PolarHBondContact O-N 3.09Å; F25-L66 WeakPolarHBondContact CZ-O 3.43Å; F25-A70 HydrophobicContact CE1-CB 3.83Å; F25-A70 HydrophobicContact CE2-CB 4.06Å; F25-A70 VanDerWaalsContact CZ-CA 3.48Å; F25-A70 HydrophobicContact CZ-CB 3.55Å; F25-E73 HydrophobicContact CD2-CB 4.49Å; F25-E73 HydrophobicContact CD2-CG 4.28Å; F25-E73 HydrophobicContact CE2-CG 4.24Å
26V86.6Confident81.9Confident64 Ų6469.9 Ų69.939%0.38834%0.34SS..Hα-helixtrans-62.5-47177.7172.20000110.3I22 E28 Q29 F30I22-V26 HydrophobicContact CG2-CG2 4.25Å; I22-V26 WeakPolarHBondContact O-CB 3.12Å; I22-V26 VanDerWaalsContact O-CG2 3.25Å; I22-V26 WeakPolarHBondContact O-CG2 3.41Å; I22-V26 PolarHBondContact O-N 3.31Å; V26-E28 PolarHBondContact O-N 2.88Å; V26-Q29 PolarHBondContact O-N 3.49Å; V26-F30 HydrophobicContact CG1-CD2 3.7Å; V26-F30 HydrophobicContact CG1-CE2 3.98Å; V26-F30 VanDerWaalsContact O-CD2 3.29Å; V26-F30 WeakPolarHBondContact O-CD2 3.42Å; V26-F30 PolarHBondContact O-N 3.22Å
27T85.1Confident82.1Confident77 Ų7770.8 Ų70.847%0.47234%0.343SS..Hα-helixtrans-58.8-36.9176.1-580000111.6P23 K24 R31P23-T27 VanDerWaalsContact O-CB 3.31Å; P23-T27 WeakPolarHBondContact O-CB 3.49Å; P23-T27 PolarHBondContact O-N 2.72Å; P23-T27 VanDerWaalsContact O-N 3.07Å; P23-T27 PolarHBondContact O-OG1 2.89Å; K24-T27 PolarHBondContact O-N 3.36Å; T27-R31 WeakPolarHBondContact O-CG 3.4Å; T27-R31 PolarHBondContact O-N 2.84Å; T27-R31 VanDerWaalsContact O-N 3.13Å
28E79.3Confident82.2Confident26 Ų2666.2 Ų66.212%0.12132%0.319CS..Hα-helixtrans-70.1-48.1178.6-179172-171.900112.7Y16 K24 F25 V26 F30 R31Y16-E28 PolarHBondContact OH-OE2 3.15Å; K24-E28 VanDerWaalsContact O-CB 3.28Å; K24-E28 WeakPolarHBondContact O-CB 3.47Å; K24-E28 PolarHBondContact O-N 2.52Å; F25-E28 WeakPolarHBondContact O-CB 3.42Å; F25-E28 PolarHBondContact O-N 2.9Å; V26-E28 PolarHBondContact O-N 2.88Å; E28-F30 VanDerWaalsContact C-N 3.32Å; E28-F30 PolarHBondContact O-N 3.48Å; E28-R31 WeakPolarHBondContact O-CB 3.3Å; E28-R31 PolarHBondContact O-N 2.85Å
29Q83.6Confident82.6Confident1 Ų160 Ų601%0.00529%0.294CS..Hα-helixtrans-63.4-39.4178.5-68-56.1-2900111.5F25 V26 R31 R32 N35 L66F25-Q29 HydrophobicContact CD1-CG 4.39Å; F25-Q29 HydrophobicContact CD2-CG 4.22Å; F25-Q29 HydrophobicContact CE1-CG 3.9Å; F25-Q29 HydrophobicContact CE2-CG 3.72Å; F25-Q29 HydrophobicContact CZ-CG 3.53Å; F25-Q29 WeakPolarHBondContact O-CG 3.24Å; F25-Q29 PolarHBondContact O-N 3.09Å; V26-Q29 PolarHBondContact O-N 3.49Å; Q29-R31 VanDerWaalsContact C-N 3.3Å; Q29-R31 PolarHBondContact O-N 2.91Å; Q29-R32 WeakPolarHBondContact O-CB 3.39Å; Q29-R32 PolarHBondContact O-N 3.48Å; Q29-N35 WeakPolarHBondContact O-CB 3.37Å; Q29-N35 PolarHBondContact O-ND2 3.48Å; Q29-N35 PolarHBondContact OE1-ND2 3.16Å; Q29-L66 HydrophobicContact CB-CD2 3.87Å; Q29-L66 HydrophobicContact CG-CD2 4Å
30F82.9Confident82.6Confident55 Ų5556 Ų5624%0.24128%0.276CS..THydrogen-bonded Turntrans-83.81.4177.8-72.1-70000114.5V26 E28 N35 I36 L39 L66V26-F30 HydrophobicContact CG1-CD2 3.7Å; V26-F30 HydrophobicContact CG1-CE2 3.98Å; V26-F30 VanDerWaalsContact O-CD2 3.29Å; V26-F30 WeakPolarHBondContact O-CD2 3.42Å; V26-F30 PolarHBondContact O-N 3.22Å; E28-F30 VanDerWaalsContact C-N 3.32Å; E28-F30 PolarHBondContact O-N 3.48Å; F30-N35 HydrophobicContact CD1-CB 4.24Å; F30-N35 HydrophobicContact CE1-CB 4.33Å; F30-I36 HydrophobicContact CD1-CG1 4.3Å; F30-I36 WeakPolarHBondContact O-CD1 3.27Å; F30-I36 VanDerWaalsContact O-CG1 3.25Å; F30-I36 WeakPolarHBondContact O-CG1 3.32Å; F30-L39 HydrophobicContact CD1-CD2 4.24Å; F30-L39 HydrophobicContact CE1-CB 3.9Å; F30-L39 HydrophobicContact CE1-CD2 3.58Å; F30-L39 HydrophobicContact CE1-CG 4.24Å; F30-L39 HydrophobicContact CZ-CD2 3.96Å; F30-L66 HydrophobicContact CZ-CD1 4.37Å
31R79.1Confident82.4Confident154 Ų15454 Ų5458%0.58126%0.264SS*.THydrogen-bonded Turntrans-77.1-8.1161.4-80.4167.9173.9-154.1-1.3112.6T27 E28 Q29T27-R31 WeakPolarHBondContact O-CG 3.4Å; T27-R31 PolarHBondContact O-N 2.84Å; T27-R31 VanDerWaalsContact O-N 3.13Å; E28-R31 WeakPolarHBondContact O-CB 3.3Å; E28-R31 PolarHBondContact O-N 2.85Å; Q29-R31 VanDerWaalsContact C-N 3.3Å; Q29-R31 PolarHBondContact O-N 2.91Å
32R74Confident82.1Confident12 Ų1252.1 Ų52.15%0.04526%0.256CS..SBendtrans-91.3122.5174.6-63176.6169158.9-9.5109.6Q29 A34 N35 I36 E248 E368Q29-R32 WeakPolarHBondContact O-CB 3.39Å; Q29-R32 PolarHBondContact O-N 3.48Å; R32-A34 PolarHBondContact O-N 3.17Å; R32-N35 PolarHBondContact O-N 3.12Å; R32-N35 VanDerWaalsContact O-N 3.11Å; R32-I36 PolarHBondContact O-N 2.59Å; R32-E248 IonicContact CZ-OE1 3.55Å; R32-E248 IonicContact NE-OE1 2.78Å; R32-E248 PolarHBondContact NE-OE1 3.25Å; R32-E248 IonicContact NH2-OE1 3.16Å; R32-E368 IonicContact CZ-OE1 3.61Å; R32-E368 IonicContact NH1-OE1 3.88Å; R32-E368 PolarHBondContact NH1-OE1 3.15Å; R32-E368 IonicContact NH2-OE1 3.78Å
33Y75.6Confident82Confident153 Ų15351.9 Ų51.960%0.626%0.256SS*.Hα-helixtrans-57.3-34.7-176.6-64.1-65.3000113.3N35 I36 F37Y33-N35 PolarHBondContact O-N 3.05Å; Y33-I36 PolarHBondContact O-N 3.2Å; Y33-F37 WeakPolarHBondContact O-CB 3.48Å; Y33-F37 PolarHBondContact O-N 2.94Å
34A74.4Confident81.4Confident7 Ų750.6 Ų50.66%0.05824%0.244CC..Hα-helixtrans-61.1-43.4177.700000112.7R32 F37 F38 I255R32-A34 PolarHBondContact O-N 3.17Å; A34-F37 WeakPolarHBondContact O-CB 3.36Å; A34-F37 PolarHBondContact O-N 2.93Å; A34-F38 HydrophobicContact CB-CE2 4.15Å; A34-F38 WeakPolarHBondContact O-CD2 3.39Å; A34-F38 WeakPolarHBondContact O-CG 3.42Å; A34-F38 PolarHBondContact O-N 3.04Å; A34-I255 HydrophobicContact CB-CD1 4.33Å
35N81.2Confident81.2Confident1 Ų145.7 Ų45.71%0.00522%0.223CC..Hα-helixtrans-68.3-37.9-179.7-69.8-15.7000111.6Q29 F30 R32 Y33 L39Q29-N35 WeakPolarHBondContact O-CB 3.37Å; Q29-N35 PolarHBondContact O-ND2 3.48Å; Q29-N35 PolarHBondContact OE1-ND2 3.16Å; F30-N35 HydrophobicContact CD1-CB 4.24Å; F30-N35 HydrophobicContact CE1-CB 4.33Å; R32-N35 PolarHBondContact O-N 3.12Å; R32-N35 VanDerWaalsContact O-N 3.11Å; Y33-N35 PolarHBondContact O-N 3.05Å; N35-L39 WeakPolarHBondContact O-CB 3.24Å; N35-L39 PolarHBondContact O-N 3.26Å
36I83.4Confident81Confident71 Ų7148.4 Ų48.436%0.36424%0.236SC..Hα-helixtrans-61.7-47.1172.3-55.6175.5000109.9F30 R32 Y33 F38 L39 V40F30-I36 HydrophobicContact CD1-CG1 4.3Å; F30-I36 WeakPolarHBondContact O-CD1 3.27Å; F30-I36 VanDerWaalsContact O-CG1 3.25Å; F30-I36 WeakPolarHBondContact O-CG1 3.32Å; R32-I36 PolarHBondContact O-N 2.59Å; Y33-I36 PolarHBondContact O-N 3.2Å; I36-F38 PolarHBondContact O-N 2.9Å; I36-L39 PolarHBondContact O-N 3Å; I36-V40 WeakPolarHBondContact O-CG2 3.44Å; I36-V40 PolarHBondContact O-N 2.93Å
37F80.7Confident80.5Confident23 Ų2348.4 Ų48.410%0.10123%0.233CC..Hα-helixtrans-57.7-49.5178.7170.5-104.7000111.9Y33 A34 L39 V40 I41 F259 L262 F352 H356 V359Y33-F37 WeakPolarHBondContact O-CB 3.48Å; Y33-F37 PolarHBondContact O-N 2.94Å; A34-F37 WeakPolarHBondContact O-CB 3.36Å; A34-F37 PolarHBondContact O-N 2.93Å; F37-L39 VanDerWaalsContact C-N 3.33Å; F37-L39 PolarHBondContact O-N 3.34Å; F37-V40 PolarHBondContact O-N 3.45Å; F37-I41 HydrophobicContact CD2-CG1 4.44Å; F37-I41 HydrophobicContact CE1-CG1 4.22Å; F37-I41 HydrophobicContact CE2-CD1 4.14Å; F37-I41 HydrophobicContact CE2-CG1 4.04Å; F37-I41 HydrophobicContact CZ-CD1 4.17Å; F37-I41 HydrophobicContact CZ-CG1 3.93Å; F37-I41 WeakPolarHBondContact O-CG1 3.28Å; F37-I41 PolarHBondContact O-N 3.15Å; F37-F259 AromaticContact CD2-CD2 3.78Å; F37-F259 HydrophobicContact CD2-CD2 3.78Å; F37-F259 AromaticContact CD2-CE2 3.64Å; F37-F259 HydrophobicContact CD2-CE2 3.64Å; F37-F259 AromaticContact CE2-CD2 3.71Å; F37-F259 HydrophobicContact CE2-CD2 3.71Å; F37-F259 AromaticContact CE2-CE2 3.64Å; F37-F259 HydrophobicContact CE2-CE2 3.64Å; F37-L262 HydrophobicContact CE2-CD2 3.75Å; F37-L262 HydrophobicContact CZ-CD2 3.59Å; F37-F352 HydrophobicContact CE2-CE1 4.45Å; F37-F352 AromaticContact CE2-CZ 3.85Å; F37-F352 HydrophobicContact CE2-CZ 3.85Å; F37-H356 HydrophobicContact CE1-CB 4.42Å; F37-H356 HydrophobicContact CZ-CB 3.93Å; F37-V359 HydrophobicContact CD1-CB 4.38Å; F37-V359 HydrophobicContact CD1-CG1 4.48Å; F37-V359 HydrophobicContact CE1-CB 3.91Å; F37-V359 HydrophobicContact CE1-CG1 4.49Å; F37-V359 HydrophobicContact CE1-CG2 4.07Å; F37-V359 HydrophobicContact CZ-CG2 4.38Å
38F81.7Confident79.8Confident4 Ų449.2 Ų49.22%0.01824%0.24CC..Hα-helixtrans-68.4-31.2179.4-63.7-50.8000113.5A34 I36 I41 A42 T58 L62 V359 I361A34-F38 HydrophobicContact CB-CE2 4.15Å; A34-F38 WeakPolarHBondContact O-CD2 3.39Å; A34-F38 WeakPolarHBondContact O-CG 3.42Å; A34-F38 PolarHBondContact O-N 3.04Å; I36-F38 PolarHBondContact O-N 2.9Å; F38-I41 PolarHBondContact O-N 3.21Å; F38-A42 VanDerWaalsContact O-CB 3.28Å; F38-A42 WeakPolarHBondContact O-CB 3.36Å; F38-A42 PolarHBondContact O-N 3.26Å; F38-T58 HydrophobicContact CB-CG2 4.33Å; F38-T58 HydrophobicContact CD1-CG2 4.33Å; F38-L62 HydrophobicContact CB-CD1 4.06Å; F38-L62 HydrophobicContact CB-CD2 4.37Å; F38-V359 HydrophobicContact CE1-CB 4.47Å; F38-V359 HydrophobicContact CZ-CB 4.2Å; F38-V359 HydrophobicContact CZ-CG1 3.86Å; F38-V359 WeakPolarHBondContact CZ-O 3.41Å; F38-I361 HydrophobicContact CD1-CD1 4.01Å; F38-I361 HydrophobicContact CD1-CG1 3.45Å; F38-I361 VanDerWaalsContact CD1-CG1 3.45Å; F38-I361 HydrophobicContact CD2-CG1 4.16Å; F38-I361 HydrophobicContact CE1-CB 4.22Å; F38-I361 HydrophobicContact CE1-CD1 3.93Å; F38-I361 HydrophobicContact CE1-CG1 3.07Å; F38-I361 HydrophobicContact CE2-CB 4.21Å; F38-I361 HydrophobicContact CE2-CG1 3.84Å; F38-I361 HydrophobicContact CG-CG1 4.01Å; F38-I361 VanDerWaalsContact CZ-CA 3.5Å; F38-I361 HydrophobicContact CZ-CB 3.96Å; F38-I361 HydrophobicContact CZ-CG1 3.28Å
39L84.9Confident79.2Confident66 Ų6652.2 Ų52.235%0.34628%0.278SS..Hα-helixtrans-63.5-45.8171.5-179.967.4000111.1F30 N35 I36 F37 I41 A42 L43 L62F30-L39 HydrophobicContact CD1-CD2 4.24Å; F30-L39 HydrophobicContact CE1-CB 3.9Å; F30-L39 HydrophobicContact CE1-CD2 3.58Å; F30-L39 HydrophobicContact CE1-CG 4.24Å; F30-L39 HydrophobicContact CZ-CD2 3.96Å; N35-L39 WeakPolarHBondContact O-CB 3.24Å; N35-L39 PolarHBondContact O-N 3.26Å; I36-L39 PolarHBondContact O-N 3Å; F37-L39 VanDerWaalsContact C-N 3.33Å; F37-L39 PolarHBondContact O-N 3.34Å; L39-I41 VanDerWaalsContact C-N 3.34Å; L39-I41 PolarHBondContact O-N 3.08Å; L39-A42 PolarHBondContact O-N 2.67Å; L39-L43 HydrophobicContact CG-CD1 4.38Å; L39-L43 WeakPolarHBondContact O-CG 3.4Å; L39-L43 PolarHBondContact O-N 3.18Å; L39-L62 HydrophobicContact CB-CD2 4.36Å
40V82.4Confident78.5Confident68 Ų6852.4 Ų52.441%0.41228%0.279SS..Hα-helixtrans-60.5-44.5176.6172.40000110.8I36 F37 L43 L44I36-V40 WeakPolarHBondContact O-CG2 3.44Å; I36-V40 PolarHBondContact O-N 2.93Å; F37-V40 PolarHBondContact O-N 3.45Å; V40-L43 PolarHBondContact O-N 3.32Å; V40-L44 HydrophobicContact CG1-CD1 4.05Å; V40-L44 HydrophobicContact CG1-CG 4.43Å; V40-L44 WeakPolarHBondContact O-CG 3.46Å; V40-L44 PolarHBondContact O-N 3.42Å
41I80.6Confident77.9Confident0 Ų051.1 Ų51.10%028%0.276CS..Hα-helixtrans-62.5-44.4175.9-63.6-67.7000111.7F37 F38 L39 L43 L44 Q45 T58 F352 H356F37-I41 HydrophobicContact CD2-CG1 4.44Å; F37-I41 HydrophobicContact CE1-CG1 4.22Å; F37-I41 HydrophobicContact CE2-CD1 4.14Å; F37-I41 HydrophobicContact CE2-CG1 4.04Å; F37-I41 HydrophobicContact CZ-CD1 4.17Å; F37-I41 HydrophobicContact CZ-CG1 3.93Å; F37-I41 WeakPolarHBondContact O-CG1 3.28Å; F37-I41 PolarHBondContact O-N 3.15Å; F38-I41 PolarHBondContact O-N 3.21Å; L39-I41 VanDerWaalsContact C-N 3.34Å; L39-I41 PolarHBondContact O-N 3.08Å; I41-L43 VanDerWaalsContact C-N 3.25Å; I41-L43 PolarHBondContact O-N 3.34Å; I41-L44 PolarHBondContact O-N 2.97Å; I41-Q45 HydrophobicContact CG2-CG 4.22Å; I41-Q45 WeakPolarHBondContact O-CB 3.46Å; I41-Q45 WeakPolarHBondContact O-CG 3.32Å; I41-Q45 PolarHBondContact O-N 2.66Å; I41-T58 HydrophobicContact CB-CG2 4.42Å; I41-T58 HydrophobicContact CG2-CG2 4.11Å; I41-F352 HydrophobicContact CD1-CD1 3.53Å; I41-F352 HydrophobicContact CD1-CE1 3.19Å; I41-F352 HydrophobicContact CD1-CZ 4.04Å; I41-F352 HydrophobicContact CG1-CE1 4.42Å; I41-H356 HydrophobicContact CD1-CB 3.62Å; I41-H356 HydrophobicContact CG1-CB 3.95Å; I41-H356 HydrophobicContact CG2-CB 4.27Å
42A81.4Confident77.1Confident3 Ų344.8 Ų44.83%0.02526%0.256CS..Hα-helixtrans-61.1-36.9179.400000111.7F38 L39 Q46 L59F38-A42 VanDerWaalsContact O-CB 3.28Å; F38-A42 WeakPolarHBondContact O-CB 3.36Å; F38-A42 PolarHBondContact O-N 3.26Å; L39-A42 PolarHBondContact O-N 2.67Å; A42-Q46 WeakPolarHBondContact O-CG 3.45Å; A42-Q46 PolarHBondContact O-NE2 3.17Å; A42-L59 HydrophobicContact CB-CB 4.33Å; A42-L59 HydrophobicContact CB-CD1 4.26Å
43L84.1Confident76.9Confident113 Ų11344.6 Ų44.659%0.59226%0.256SS*.Hα-helixtrans-68.1-45.6173-68.4172.3000111.9L39 V40 I41 Q45 Q46L39-L43 HydrophobicContact CG-CD1 4.38Å; L39-L43 WeakPolarHBondContact O-CG 3.4Å; L39-L43 PolarHBondContact O-N 3.18Å; V40-L43 PolarHBondContact O-N 3.32Å; I41-L43 VanDerWaalsContact C-N 3.25Å; I41-L43 PolarHBondContact O-N 3.34Å; L43-Q45 VanDerWaalsContact C-N 3.3Å; L43-Q45 PolarHBondContact O-N 2.92Å; L43-Q46 WeakPolarHBondContact O-CB 3.39Å; L43-Q46 PolarHBondContact O-N 2.88Å; L43-Q46 VanDerWaalsContact O-N 3.12Å
44L77.2Confident76.8Confident46 Ų4638.4 Ų38.424%0.24124%0.238CC..Hα-helixtrans-62.5-34.9177.2-70.7174.1000112.6V40 I41 Q46 I47 F352V40-L44 HydrophobicContact CG1-CD1 4.05Å; V40-L44 HydrophobicContact CG1-CG 4.43Å; V40-L44 WeakPolarHBondContact O-CG 3.46Å; V40-L44 PolarHBondContact O-N 3.42Å; I41-L44 PolarHBondContact O-N 2.97Å; L44-Q46 PolarHBondContact O-N 3.02Å; L44-I47 HydrophobicContact CD2-CD1 4.11Å; L44-I47 WeakPolarHBondContact O-CB 3.44Å; L44-I47 WeakPolarHBondContact O-CG1 3.5Å; L44-I47 PolarHBondContact O-N 3.35Å; L44-F352 HydrophobicContact CD1-CD1 3.99Å; L44-F352 HydrophobicContact CD1-CE1 4.03Å
45Q79.3Confident77Confident0 Ų044.3 Ų44.30%026%0.259CS..THydrogen-bonded Turntrans-67-15.2176.3-78.7-179.9-11.400114I41 L43 I47 T57 T58 I353I41-Q45 HydrophobicContact CG2-CG 4.22Å; I41-Q45 WeakPolarHBondContact O-CB 3.46Å; I41-Q45 WeakPolarHBondContact O-CG 3.32Å; I41-Q45 PolarHBondContact O-N 2.66Å; L43-Q45 VanDerWaalsContact C-N 3.3Å; L43-Q45 PolarHBondContact O-N 2.92Å; Q45-I47 VanDerWaalsContact C-N 3.27Å; Q45-T57 PolarHBondContact NE2-OG1 3.41Å; Q45-T58 PolarHBondContact NE2-OG1 2.8Å; Q45-T58 VanDerWaalsContact OE1-CB 3.24Å; Q45-T58 PolarHBondContact OE1-OG1 3.22Å; Q45-T58 VanDerWaalsContact OE1-OG1 3.13Å; Q45-I353 HydrophobicContact CG-CD1 4.18Å; Q45-I353 HydrophobicContact CG-CG1 4.4Å; Q45-I353 HydrophobicContact CG-CG2 3.98Å
46Q84.2Confident77.1Confident73 Ų7350.2 Ų50.234%0.34129%0.285SS..THydrogen-bonded Turntrans-77.4-13.4175.6-55.8-42.2-53.400112.9A42 L43 L44 R55A42-Q46 WeakPolarHBondContact O-CG 3.45Å; A42-Q46 PolarHBondContact O-NE2 3.17Å; L43-Q46 WeakPolarHBondContact O-CB 3.39Å; L43-Q46 PolarHBondContact O-N 2.88Å; L43-Q46 VanDerWaalsContact O-N 3.12Å; L44-Q46 PolarHBondContact O-N 3.02Å; Q46-R55 PolarHBondContact NE2-O 2.95Å
47I74.9Confident76.7Confident64 Ų6448.1 Ų48.133%0.32828%0.276SS..SBendtrans-67.6121.5178.7-57.1173000109.3L44 Q45 V50 I349L44-I47 HydrophobicContact CD2-CD1 4.11Å; L44-I47 WeakPolarHBondContact O-CB 3.44Å; L44-I47 WeakPolarHBondContact O-CG1 3.5Å; L44-I47 PolarHBondContact O-N 3.35Å; Q45-I47 VanDerWaalsContact C-N 3.27Å; I47-V50 HydrophobicContact CB-CB 4.42Å; I47-V50 HydrophobicContact CB-CG2 4.3Å; I47-V50 HydrophobicContact CG2-CB 4.29Å; I47-V50 HydrophobicContact CG2-CG2 3.65Å; I47-I349 HydrophobicContact CD1-CD1 4.45Å
48P71.6Confident76.5Confident94 Ų9447.1 Ų47.161%0.6127%0.271SS*.THydrogen-bonded Turntrans-66136.2-177.427-33.9000111.4V50P48-V50 VanDerWaalsContact C-N 3.33Å; P48-V50 PolarHBondContact O-N 3.3Å
49G66Low76.5Confident89 Ų8949.8 Ų49.892%0.91829%0.286SS*.THydrogen-bonded Turntrans83.5-4.3176.100000116
50V69Low76.5Confident4 Ų450.2 Ų50.22%0.02429%0.29CS..THydrogen-bonded Turntrans-105.9-29.6-175-176.60000113.4I47 P48 P52 N346 I349 T350 I353I47-V50 HydrophobicContact CB-CB 4.42Å; I47-V50 HydrophobicContact CB-CG2 4.3Å; I47-V50 HydrophobicContact CG2-CB 4.29Å; I47-V50 HydrophobicContact CG2-CG2 3.65Å; P48-V50 VanDerWaalsContact C-N 3.33Å; P48-V50 PolarHBondContact O-N 3.3Å; V50-P52 VanDerWaalsContact O-CD 3.22Å; V50-P52 WeakPolarHBondContact O-CD 3.21Å; V50-N346 HydrophobicContact CG2-CB 4.49Å; V50-I349 HydrophobicContact CG1-CB 3.64Å; V50-I349 HydrophobicContact CG1-CG2 3.4Å; V50-I349 VanDerWaalsContact CG1-CG2 3.4Å; V50-T350 PolarHBondContact O-OG1 2.62Å; V50-I353 HydrophobicContact CG1-CD1 4.26Å
51S69.6Low76.2Confident28 Ų2848.2 Ų48.220%0.19628%0.279CS..  trans-80.7116.2-176.4179.50000112.2G54S51-G54 PolarHBondContact OG-N 2.94Å; S51-G54 VanDerWaalsContact OG-N 3.13Å; S51-G54 PolarHBondContact OG-O 2.84Å
52P63.3Low76.2Confident22 Ų2248.4 Ų48.414%0.14328%0.28CS..SBendtrans-78.8-25176.830.7-33.5000113V50 T350 I353 I898V50-P52 VanDerWaalsContact O-CD 3.22Å; V50-P52 WeakPolarHBondContact O-CD 3.21Å; P52-T350 HydrophobicContact CG-CG2 4.2Å; P52-I353 HydrophobicContact CG-CG2 4.38Å; P52-I898 HydrophobicContact CB-CG2 4.15Å
53T69.8Low76.4Confident8 Ų851.4 Ų51.45%0.04930%0.3CS..SBendtrans-92.2-29.4-17555.90000113T57 R902 I905T53-T57 WeakPolarHBondContact O-CG2 3.48Å; T53-T57 PolarHBondContact OG1-OG1 3.16Å; T53-T57 VanDerWaalsContact OG1-OG1 3.09Å; T53-R902 WeakPolarHBondContact O-CB 3.37Å; T53-I905 HydrophobicContact CG2-CD1 4.41Å
54G73.3Confident76.3Confident23 Ų2350.7 Ų50.724%0.23730%0.296CS..  trans120.5153-178.600000113.2S51 F56 T57S51-G54 PolarHBondContact OG-N 2.94Å; S51-G54 VanDerWaalsContact OG-N 3.13Å; S51-G54 PolarHBondContact OG-O 2.84Å; G54-F56 VanDerWaalsContact C-N 3.34Å; G54-F56 PolarHBondContact O-N 2.98Å; G54-T57 PolarHBondContact O-N 2.78Å; G54-T57 PolarHBondContact O-OG1 3.06Å
55R79.2Confident76.4Confident130 Ų13048.9 Ų48.949%0.49129%0.286SS..THydrogen-bonded Turntrans-65.5-29.7-170.7-62.9-174.1-179.2165.91.4114.9Q46Q46-R55 PolarHBondContact NE2-O 2.95Å
56F81.5Confident76.7Confident126 Ų12650.7 Ų50.755%0.55330%0.296SS*.THydrogen-bonded Turntrans-102-1.4-173.7-61.8-64.5000113.7G54 T58 L59 V60G54-F56 VanDerWaalsContact C-N 3.34Å; G54-F56 PolarHBondContact O-N 2.98Å; F56-T58 PolarHBondContact O-N 2.84Å; F56-L59 HydrophobicContact CD1-CD2 4.29Å; F56-V60 HydrophobicContact CB-CG2 4.07Å; F56-V60 WeakPolarHBondContact O-CB 3.47Å; F56-V60 PolarHBondContact O-N 2.83Å; F56-V60 VanDerWaalsContact O-N 3.13Å
57T75.7Confident76.9Confident27 Ų2751.1 Ų51.117%0.16630%0.303CS..THydrogen-bonded Turntrans-64.8-34.5-171.1540000113.8Q45 T53 G54 P61Q45-T57 PolarHBondContact NE2-OG1 3.41Å; T53-T57 WeakPolarHBondContact O-CG2 3.48Å; T53-T57 PolarHBondContact OG1-OG1 3.16Å; T53-T57 VanDerWaalsContact OG1-OG1 3.09Å; G54-T57 PolarHBondContact O-N 2.78Å; G54-T57 PolarHBondContact O-OG1 3.06Å; T57-P61 WeakPolarHBondContact O-CD 3.44Å; T57-P61 VanDerWaalsContact O-CG 3.24Å; T57-P61 WeakPolarHBondContact O-CG 3.4Å
58T77.1Confident77.3Confident2 Ų250.5 Ų50.51%0.01230%0.302CS..THydrogen-bonded Turntrans-98.8-32.8176.5-53.20000112.5F38 I41 Q45 F56 L62 H356 I361F38-T58 HydrophobicContact CB-CG2 4.33Å; F38-T58 HydrophobicContact CD1-CG2 4.33Å; I41-T58 HydrophobicContact CB-CG2 4.42Å; I41-T58 HydrophobicContact CG2-CG2 4.11Å; Q45-T58 PolarHBondContact NE2-OG1 2.8Å; Q45-T58 VanDerWaalsContact OE1-CB 3.24Å; Q45-T58 PolarHBondContact OE1-OG1 3.22Å; Q45-T58 VanDerWaalsContact OE1-OG1 3.13Å; F56-T58 PolarHBondContact O-N 2.84Å; T58-L62 WeakPolarHBondContact O-CB 3.33Å; T58-L62 PolarHBondContact O-N 3.18Å; T58-L62 VanDerWaalsContact O-N 3.07Å; T58-H356 PolarHBondContact OG1-CE1 3.41Å; T58-H356 PolarHBondContact OG1-NE2 2.91Å; T58-I361 HydrophobicContact CG2-CD1 4Å
59L82.5Confident77.9Confident60 Ų6046 Ų4631%0.31427%0.273SS..Hα-helixtrans-64.1-46.2-178.5-176.764.5000112.3A42 F56 L62 C63A42-L59 HydrophobicContact CB-CB 4.33Å; A42-L59 HydrophobicContact CB-CD1 4.26Å; F56-L59 HydrophobicContact CD1-CD2 4.29Å; L59-L62 PolarHBondContact O-N 3.16Å; L59-C63 PolarHBondContact O-N 3Å; L59-C63 PolarHBondContact O-SG 3.1Å; L59-C63 VanDerWaalsContact O-SG 3.37Å
60V83.1Confident79Confident74 Ų7442.7 Ų42.745%0.44824%0.238SC..Hα-helixtrans-63.2-50.6-178.1170.30000111.5F56 L62 C63 I64F56-V60 HydrophobicContact CB-CG2 4.07Å; F56-V60 WeakPolarHBondContact O-CB 3.47Å; F56-V60 PolarHBondContact O-N 2.83Å; F56-V60 VanDerWaalsContact O-N 3.13Å; V60-L62 VanDerWaalsContact C-N 3.33Å; V60-L62 PolarHBondContact O-N 3.16Å; V60-C63 PolarHBondContact O-N 2.6Å; V60-I64 HydrophobicContact CG1-CD1 3.92Å; V60-I64 WeakPolarHBondContact O-CG1 3.28Å; V60-I64 PolarHBondContact O-N 3.16Å
61P76.2Confident79.9Confident27 Ų2747.1 Ų47.118%0.17526%0.26CS..Hα-helixtrans-56.6-42.9172.2-28.136.6000113.3T57 C63 I64 I65 I361T57-P61 WeakPolarHBondContact O-CD 3.44Å; T57-P61 VanDerWaalsContact O-CG 3.24Å; T57-P61 WeakPolarHBondContact O-CG 3.4Å; P61-C63 PolarHBondContact O-N 3.44Å; P61-I64 PolarHBondContact O-N 3.33Å; P61-I65 VanDerWaalsContact O-CD1 3.32Å; P61-I65 WeakPolarHBondContact O-CD1 3.32Å; P61-I65 WeakPolarHBondContact O-CG1 3.46Å; P61-I65 PolarHBondContact O-N 3.06Å; P61-I361 HydrophobicContact CB-CG2 4.06Å
62L80.6Confident80.6Confident4 Ų446.1 Ų46.12%0.02125%0.252CS..Hα-helixtrans-61.2-43.4179.3-178.164000112.1F38 L39 T58 L59 V60 I65 L66F38-L62 HydrophobicContact CB-CD1 4.06Å; F38-L62 HydrophobicContact CB-CD2 4.37Å; L39-L62 HydrophobicContact CB-CD2 4.36Å; T58-L62 WeakPolarHBondContact O-CB 3.33Å; T58-L62 PolarHBondContact O-N 3.18Å; T58-L62 VanDerWaalsContact O-N 3.07Å; L59-L62 PolarHBondContact O-N 3.16Å; V60-L62 VanDerWaalsContact C-N 3.33Å; V60-L62 PolarHBondContact O-N 3.16Å; L62-I65 WeakPolarHBondContact O-CB 3.2Å; L62-I65 PolarHBondContact O-N 3.44Å; L62-L66 HydrophobicContact CD1-CD1 4.47Å; L62-L66 HydrophobicContact CD1-CG 4.47Å; L62-L66 HydrophobicContact CG-CD1 4.31Å; L62-L66 WeakPolarHBondContact O-CG 3.47Å; L62-L66 PolarHBondContact O-N 2.95Å
63C86.2Confident81.5Confident65 Ų6545.2 Ų45.244%0.43925%0.246SC..Hα-helixtrans-60.8-46.7174.5-710000111.3L59 V60 P61 I65 L66 T67L59-C63 PolarHBondContact O-N 3Å; L59-C63 PolarHBondContact O-SG 3.1Å; L59-C63 VanDerWaalsContact O-SG 3.37Å; V60-C63 PolarHBondContact O-N 2.6Å; P61-C63 PolarHBondContact O-N 3.44Å; C63-I65 VanDerWaalsContact C-N 3.32Å; C63-I65 PolarHBondContact O-N 3.09Å; C63-L66 PolarHBondContact O-N 2.97Å; C63-T67 WeakPolarHBondContact O-CB 3.48Å; C63-T67 PolarHBondContact O-N 3.36Å; C63-T67 PolarHBondContact O-OG1 3.4Å
64I82.6Confident82.3Confident98 Ų9848.2 Ų48.250%0.50326%0.264SS..Hα-helixtrans-59-44.6177.4-66.9166.8000110.8V60 P61 T67 V68V60-I64 HydrophobicContact CG1-CD1 3.92Å; V60-I64 WeakPolarHBondContact O-CG1 3.28Å; V60-I64 PolarHBondContact O-N 3.16Å; P61-I64 PolarHBondContact O-N 3.33Å; I64-T67 PolarHBondContact O-N 2.94Å; I64-V68 HydrophobicContact CG2-CG2 4.36Å; I64-V68 WeakPolarHBondContact O-CG2 3.33Å; I64-V68 PolarHBondContact O-N 3.17Å
65I79.1Confident82.9Confident9 Ų950.4 Ų50.45%0.04627%0.27CS..Hα-helixtrans-57.1-54.7177.1-66.8157.7000110.4P61 L62 C63 T67 V68 S69 I361 V365P61-I65 VanDerWaalsContact O-CD1 3.32Å; P61-I65 WeakPolarHBondContact O-CD1 3.32Å; P61-I65 WeakPolarHBondContact O-CG1 3.46Å; P61-I65 PolarHBondContact O-N 3.06Å; L62-I65 WeakPolarHBondContact O-CB 3.2Å; L62-I65 PolarHBondContact O-N 3.44Å; C63-I65 VanDerWaalsContact C-N 3.32Å; C63-I65 PolarHBondContact O-N 3.09Å; I65-T67 VanDerWaalsContact C-N 3.26Å; I65-T67 PolarHBondContact O-N 3.26Å; I65-V68 PolarHBondContact O-N 3.13Å; I65-S69 PolarHBondContact O-N 3.31Å; I65-S69 PolarHBondContact O-OG 2.98Å; I65-S69 VanDerWaalsContact O-OG 3.04Å; I65-I361 HydrophobicContact CD1-CG2 3.19Å; I65-I361 HydrophobicContact CG1-CG2 4.49Å; I65-V365 HydrophobicContact CB-CG2 3.72Å; I65-V365 HydrophobicContact CG1-CG2 3.4Å; I65-V365 HydrophobicContact CG2-CG2 3.67Å
66L84.9Confident82.9Confident37 Ų3744.8 Ų44.819%0.19425%0.249CC..Hα-helixtrans-61.9-35.9-178-68.3175.2000111.7F25 Q29 F30 L62 C63 A70F25-L66 WeakPolarHBondContact CZ-O 3.43Å; Q29-L66 HydrophobicContact CB-CD2 3.87Å; Q29-L66 HydrophobicContact CG-CD2 4Å; F30-L66 HydrophobicContact CZ-CD1 4.37Å; L62-L66 HydrophobicContact CD1-CD1 4.47Å; L62-L66 HydrophobicContact CD1-CG 4.47Å; L62-L66 HydrophobicContact CG-CD1 4.31Å; L62-L66 WeakPolarHBondContact O-CG 3.47Å; L62-L66 PolarHBondContact O-N 2.95Å; C63-L66 PolarHBondContact O-N 2.97Å; L66-A70 VanDerWaalsContact O-CB 3.27Å; L66-A70 WeakPolarHBondContact O-CB 3.49Å; L66-A70 PolarHBondContact O-N 2.87Å
67T88.1Confident82.9Confident82 Ų8239.3 Ų39.350%0.50323%0.226SC..Hα-helixtrans-66.8-46174.7-58.30000112C63 I64 I65 S69 A70 I71C63-T67 WeakPolarHBondContact O-CB 3.48Å; C63-T67 PolarHBondContact O-N 3.36Å; C63-T67 PolarHBondContact O-OG1 3.4Å; I64-T67 PolarHBondContact O-N 2.94Å; I65-T67 VanDerWaalsContact C-N 3.26Å; I65-T67 PolarHBondContact O-N 3.26Å; T67-S69 VanDerWaalsContact C-N 3.34Å; T67-S69 PolarHBondContact O-N 2.87Å; T67-A70 PolarHBondContact O-N 2.99Å; T67-I71 HydrophobicContact CG2-CD1 3.99Å; T67-I71 WeakPolarHBondContact O-CG1 3.35Å; T67-I71 PolarHBondContact O-N 3.4Å
68V84.9Confident83.3Confident51 Ų5144.6 Ų44.631%0.30925%0.246SC..Hα-helixtrans-62.2-43.6177.31720000110.7I64 I65 A70 I71 K72 V369I64-V68 HydrophobicContact CG2-CG2 4.36Å; I64-V68 WeakPolarHBondContact O-CG2 3.33Å; I64-V68 PolarHBondContact O-N 3.17Å; I65-V68 PolarHBondContact O-N 3.13Å; V68-A70 VanDerWaalsContact C-N 3.33Å; V68-A70 PolarHBondContact O-N 3.33Å; V68-I71 PolarHBondContact O-N 3.5Å; V68-K72 WeakPolarHBondContact O-CB 3.47Å; V68-K72 PolarHBondContact O-N 2.94Å; V68-V369 HydrophobicContact CG1-CG2 4.37Å
69S83.6Confident83.5Confident0 Ų049.9 Ų49.90%027%0.266CS..Hα-helixtrans-61.8-39.5174.5-57.60000112.2I65 T67 K72 E73 E368I65-S69 PolarHBondContact O-N 3.31Å; I65-S69 PolarHBondContact O-OG 2.98Å; I65-S69 VanDerWaalsContact O-OG 3.04Å; T67-S69 VanDerWaalsContact C-N 3.34Å; T67-S69 PolarHBondContact O-N 2.87Å; S69-K72 PolarHBondContact O-N 3.13Å; S69-E73 PolarHBondContact O-N 3.18Å; S69-E368 WeakPolarHBondContact CA-OE2 3.39Å; S69-E368 VanDerWaalsContact CB-OE2 3.25Å; S69-E368 WeakPolarHBondContact CB-OE2 3.47Å; S69-E368 PolarHBondContact OG-OE2 3.42Å
70A88Confident83.3Confident20 Ų2048 Ų4817%0.16526%0.255CS..Hα-helixtrans-65.7-46.6177.300000111.5F21 F25 L66 T67 V68 K72 E73 V74F21-A70 HydrophobicContact CZ-CB 4.36Å; F25-A70 HydrophobicContact CE1-CB 3.83Å; F25-A70 HydrophobicContact CE2-CB 4.06Å; F25-A70 VanDerWaalsContact CZ-CA 3.48Å; F25-A70 HydrophobicContact CZ-CB 3.55Å; L66-A70 VanDerWaalsContact O-CB 3.27Å; L66-A70 WeakPolarHBondContact O-CB 3.49Å; L66-A70 PolarHBondContact O-N 2.87Å; T67-A70 PolarHBondContact O-N 2.99Å; V68-A70 VanDerWaalsContact C-N 3.33Å; V68-A70 PolarHBondContact O-N 3.33Å; A70-K72 VanDerWaalsContact C-N 3.28Å; A70-K72 PolarHBondContact O-N 3.11Å; A70-E73 PolarHBondContact O-N 3.43Å; A70-V74 VanDerWaalsContact O-CG2 3.27Å; A70-V74 WeakPolarHBondContact O-CG2 3.49Å; A70-V74 PolarHBondContact O-N 3.38Å
71I88.6Confident83.3Confident96 Ų9647 Ų4749%0.49225%0.245SC..Hα-helixtrans-58-44.6176.8-69.2166.5000110.2T67 V68 V74 I75T67-I71 HydrophobicContact CG2-CD1 3.99Å; T67-I71 WeakPolarHBondContact O-CG1 3.35Å; T67-I71 PolarHBondContact O-N 3.4Å; V68-I71 PolarHBondContact O-N 3.5Å; I71-V74 PolarHBondContact O-N 2.96Å; I71-I75 HydrophobicContact CG2-CD1 3.79Å; I71-I75 HydrophobicContact CG2-CG1 4.44Å; I71-I75 VanDerWaalsContact O-CG1 3.29Å; I71-I75 WeakPolarHBondContact O-CG1 3.31Å; I71-I75 PolarHBondContact O-N 3.16Å
72K83.9Confident83.7Confident7 Ų754.7 Ų54.73%0.0327%0.271CS..Hα-helixtrans-57.7-53.6176.5178.3-166.4166.3174.40112V68 S69 A70 V74 I75 E76 E368 S398 N399V68-K72 WeakPolarHBondContact O-CB 3.47Å; V68-K72 PolarHBondContact O-N 2.94Å; S69-K72 PolarHBondContact O-N 3.13Å; A70-K72 VanDerWaalsContact C-N 3.28Å; A70-K72 PolarHBondContact O-N 3.11Å; K72-V74 VanDerWaalsContact C-N 3.28Å; K72-V74 PolarHBondContact O-N 3.12Å; K72-I75 PolarHBondContact O-N 3.17Å; K72-I75 VanDerWaalsContact O-N 3.16Å; K72-E76 VanDerWaalsContact CE-OE1 3.24Å; K72-E76 WeakPolarHBondContact CE-OE1 3.49Å; K72-E76 PolarHBondContact O-N 3.32Å; K72-E368 HydrophobicContact CD-CB 4.29Å; K72-S398 WeakPolarHBondContact CE-OG 3.45Å; K72-S398 PolarHBondContact NZ-OG 2.88Å; K72-N399 PolarHBondContact NZ-OD1 3.25Å
73E83.4Confident83.5Confident3 Ų355.5 Ų55.51%0.01428%0.278CS..Hα-helixtrans-63.3-35.1-179.3-71.1-64.3147.900111.6K15 Y16 F21 F25 S69 A70 E76 D77K15-E73 IonicContact NZ-OE2 3.54Å; K15-E73 PolarHBondContact NZ-OE2 3.04Å; Y16-E73 HydrophobicContact CE2-CB 4.37Å; F21-E73 HydrophobicContact CE2-CB 4.36Å; F25-E73 HydrophobicContact CD2-CB 4.49Å; F25-E73 HydrophobicContact CD2-CG 4.28Å; F25-E73 HydrophobicContact CE2-CG 4.24Å; S69-E73 PolarHBondContact O-N 3.18Å; A70-E73 PolarHBondContact O-N 3.43Å; E73-E76 PolarHBondContact O-N 3.34Å; E73-D77 WeakPolarHBondContact O-CB 3.28Å; E73-D77 PolarHBondContact O-N 2.83Å
74V86.9Confident83.2Confident72 Ų7252.5 Ų52.544%0.43626%0.258SS..Hα-helixtrans-63-44.1173.1170.60000111.3F21 A70 I71 K72 D77 F78F21-V74 HydrophobicContact CE1-CG2 4.03Å; F21-V74 HydrophobicContact CE2-CG2 3.71Å; F21-V74 HydrophobicContact CZ-CG2 3.43Å; F21-V74 VanDerWaalsContact CZ-CG2 3.43Å; A70-V74 VanDerWaalsContact O-CG2 3.27Å; A70-V74 WeakPolarHBondContact O-CG2 3.49Å; A70-V74 PolarHBondContact O-N 3.38Å; I71-V74 PolarHBondContact O-N 2.96Å; K72-V74 VanDerWaalsContact C-N 3.28Å; K72-V74 PolarHBondContact O-N 3.12Å; V74-D77 PolarHBondContact O-N 3.42Å; V74-F78 WeakPolarHBondContact O-CB 3.36Å; V74-F78 PolarHBondContact O-N 3.41Å
75I84.6Confident83.3Confident69 Ų6950.9 Ų50.935%0.35425%0.25SS..Hα-helixtrans-63.1-42.8176.7-67.7165.8000110.8I71 K72 R79I71-I75 HydrophobicContact CG2-CD1 3.79Å; I71-I75 HydrophobicContact CG2-CG1 4.44Å; I71-I75 VanDerWaalsContact O-CG1 3.29Å; I71-I75 WeakPolarHBondContact O-CG1 3.31Å; I71-I75 PolarHBondContact O-N 3.16Å; K72-I75 PolarHBondContact O-N 3.17Å; K72-I75 VanDerWaalsContact O-N 3.16Å; I75-R79 WeakPolarHBondContact O-CG 3.39Å; I75-R79 PolarHBondContact O-N 3.48Å
76E79.6Confident83.5Confident11 Ų1153.1 Ų53.15%0.05127%0.27CS..Hα-helixtrans-63.6-45.5177.1-73.3-169.6-178.500112K15 K72 E73 R79 R80 S398K15-E76 IonicContact NZ-OE2 2.72Å; K15-E76 PolarHBondContact NZ-OE2 2.81Å; K72-E76 VanDerWaalsContact CE-OE1 3.24Å; K72-E76 WeakPolarHBondContact CE-OE1 3.49Å; K72-E76 PolarHBondContact O-N 3.32Å; E73-E76 PolarHBondContact O-N 3.34Å; E76-R79 PolarHBondContact O-N 3.45Å; E76-R80 PolarHBondContact O-N 3.07Å; E76-S398 VanDerWaalsContact OE1-CB 3.31Å; E76-S398 WeakPolarHBondContact OE1-CB 3.4Å; E76-S398 PolarHBondContact OE1-N 2.86Å; E76-S398 PolarHBondContact OE1-OG 2.82Å
77D82.3Confident83.2Confident12 Ų1252.2 Ų52.26%0.06427%0.266CS..Hα-helixtrans-73.1-36.2-178.2-153.357.6000111.8K15 Y16 E73 V74 R79 R80 H81K15-D77 PolarHBondContact N-OD1 3.35Å; Y16-D77 HydrophobicContact CD2-CB 4.15Å; Y16-D77 VanDerWaalsContact O-OD2 3.12Å; E73-D77 WeakPolarHBondContact O-CB 3.28Å; E73-D77 PolarHBondContact O-N 2.83Å; V74-D77 PolarHBondContact O-N 3.42Å; D77-R79 VanDerWaalsContact C-N 3.28Å; D77-R79 PolarHBondContact O-N 2.92Å; D77-R80 WeakPolarHBondContact O-CA 3.32Å; D77-R80 WeakPolarHBondContact O-CB 3.5Å; D77-R80 PolarHBondContact O-N 3.29Å; D77-H81 PolarHBondContact O-CD2 3.03Å; D77-H81 PolarHBondContact O-N 2.9Å; D77-H81 IonicContact OD2-CD2 2.69Å; D77-H81 IonicContact OD2-NE2 2.96Å; D77-H81 PolarHBondContact OD2-NE2 3.11Å
78F84.1Confident83Confident137 Ų13748.4 Ų48.460%0.60124%0.242SC*.Hα-helixtrans-59.2-38.9173.7-177.6-98.7000112V74 R80 H81 R82V74-F78 WeakPolarHBondContact O-CB 3.36Å; V74-F78 PolarHBondContact O-N 3.41Å; F78-R80 VanDerWaalsContact C-N 3.3Å; F78-R80 PolarHBondContact O-N 2.91Å; F78-H81 PolarHBondContact O-N 3.03Å; F78-R82 PolarHBondContact O-N 3.29Å
79R80.9Confident83.2Confident113 Ų11349.5 Ų49.543%0.42625%0.247SC..Hα-helixtrans-64.4-33.6173.9-71.7174.2-179.1-174.6-0.8112.3I75 E76 D77 A83I75-R79 WeakPolarHBondContact O-CG 3.39Å; I75-R79 PolarHBondContact O-N 3.48Å; E76-R79 PolarHBondContact O-N 3.45Å; D77-R79 VanDerWaalsContact C-N 3.28Å; D77-R79 PolarHBondContact O-N 2.92Å; R79-A83 PolarHBondContact O-N 3.37Å
80R78.8Confident83.2Confident20 Ų2053.3 Ų53.38%0.07526%0.264CS..Hα-helixtrans-70.5-47.2175.2-64.9177.3-173.8-149.9-4.6111.2E76 D77 F78 R82 A83 D84 T397E76-R80 PolarHBondContact O-N 3.07Å; D77-R80 WeakPolarHBondContact O-CA 3.32Å; D77-R80 WeakPolarHBondContact O-CB 3.5Å; D77-R80 PolarHBondContact O-N 3.29Å; F78-R80 VanDerWaalsContact C-N 3.3Å; F78-R80 PolarHBondContact O-N 2.91Å; R80-R82 VanDerWaalsContact C-N 3.31Å; R80-R82 PolarHBondContact O-N 2.8Å; R80-A83 WeakPolarHBondContact O-CB 3.42Å; R80-A83 PolarHBondContact O-N 2.9Å; R80-D84 PolarHBondContact O-N 3.4Å; R80-T397 PolarHBondContact NH2-OG1 2.63Å
81H82Confident83.3Confident55 Ų5557.7 Ų57.726%0.25528%0.281SS..Hα-helixtrans-56.8-44.3174.7-73.7-65.6000111.7A14 Y16 D77 F78 A83 D84 D85A14-H81 WeakPolarHBondContact CB-CE1 3.45Å; A14-H81 VanDerWaalsContact CB-NE2 3.3Å; A14-H81 WeakPolarHBondContact CB-NE2 3.45Å; Y16-H81 PolarHBondContact O-NE2 3.36Å; D77-H81 PolarHBondContact O-CD2 3.03Å; D77-H81 PolarHBondContact O-N 2.9Å; D77-H81 IonicContact OD2-CD2 2.69Å; D77-H81 IonicContact OD2-NE2 2.96Å; D77-H81 PolarHBondContact OD2-NE2 3.11Å; F78-H81 PolarHBondContact O-N 3.03Å; H81-A83 VanDerWaalsContact C-N 3.26Å; H81-A83 PolarHBondContact O-N 3.09Å; H81-D84 PolarHBondContact O-N 2.82Å; H81-D85 WeakPolarHBondContact O-CB 3.26Å; H81-D85 PolarHBondContact O-N 3.3Å
82R84.3Confident83.4Confident187 Ų18753.4 Ų53.471%0.70626%0.26SS*.Hα-helixtrans-59.8-35.2176.3-171.9176.9-179.4-179.70.2113.1F78 R80 A86F78-R82 PolarHBondContact O-N 3.29Å; R80-R82 VanDerWaalsContact C-N 3.31Å; R80-R82 PolarHBondContact O-N 2.8Å; R82-A86 PolarHBondContact O-N 2.91Å
83A76.8Confident83.9Confident21 Ų2154.6 Ų54.617%0.17427%0.266CS..Hα-helixtrans-74.4-41.1176.300000111.8R79 R80 H81 A86 T87R79-A83 PolarHBondContact O-N 3.37Å; R80-A83 WeakPolarHBondContact O-CB 3.42Å; R80-A83 PolarHBondContact O-N 2.9Å; H81-A83 VanDerWaalsContact C-N 3.26Å; H81-A83 PolarHBondContact O-N 3.09Å; A83-A86 WeakPolarHBondContact O-CB 3.27Å; A83-A86 PolarHBondContact O-N 2.83Å; A83-T87 PolarHBondContact O-N 2.84Å
84D80.1Confident84.3Confident2 Ų254.4 Ų54.41%0.01127%0.266CS..Hα-helixtrans-64-41.5175.8-65.9-21.3000111.3F11 S12 T13 A14 R80 H81 A86 T87 N88F11-D84 HydrophobicContact CD1-CB 4.17Å; F11-D84 VanDerWaalsContact CE1-OD1 3.27Å; F11-D84 WeakPolarHBondContact CE1-OD1 3.37Å; S12-D84 WeakPolarHBondContact CA-OD2 3.3Å; T13-D84 WeakPolarHBondContact CB-OD1 3.46Å; T13-D84 WeakPolarHBondContact CG2-OD1 3.25Å; T13-D84 PolarHBondContact N-OD1 2.89Å; T13-D84 PolarHBondContact N-OD2 3.29Å; T13-D84 VanDerWaalsContact OG1-CG 3.31Å; T13-D84 PolarHBondContact OG1-OD1 3.4Å; T13-D84 PolarHBondContact OG1-OD2 2.89Å; A14-D84 PolarHBondContact N-OD2 2.84Å; R80-D84 PolarHBondContact O-N 3.4Å; H81-D84 PolarHBondContact O-N 2.82Å; D84-A86 VanDerWaalsContact C-N 3.28Å; D84-A86 PolarHBondContact O-N 2.78Å; D84-T87 PolarHBondContact O-N 2.91Å; D84-N88 WeakPolarHBondContact O-CB 3.44Å; D84-N88 VanDerWaalsContact O-CG 3.32Å; D84-N88 PolarHBondContact O-N 3.15Å; D84-N88 PolarHBondContact O-ND2 3.13Å
85D84Confident84.5Confident65 Ų6552 Ų5235%0.34825%0.25SS..Hα-helixtrans-62-36176.4-73.6-22000111.7H81 T87 N88 N89H81-D85 WeakPolarHBondContact O-CB 3.26Å; H81-D85 PolarHBondContact O-N 3.3Å; D85-T87 VanDerWaalsContact C-N 3.32Å; D85-T87 PolarHBondContact O-N 2.98Å; D85-N88 PolarHBondContact O-N 3.14Å; D85-N89 VanDerWaalsContact O-CB 3.23Å; D85-N89 WeakPolarHBondContact O-CB 3.32Å; D85-N89 PolarHBondContact O-N 3.04Å; D85-N89 PolarHBondContact O-ND2 2.89Å
86A83.3Confident84.7Confident55 Ų5553.5 Ų53.546%0.45525%0.251SS..Hα-helixtrans-61.5-41.4175.500000111.5R82 A83 D84R82-A86 PolarHBondContact O-N 2.91Å; A83-A86 WeakPolarHBondContact O-CB 3.27Å; A83-A86 PolarHBondContact O-N 2.83Å; D84-A86 VanDerWaalsContact C-N 3.28Å; D84-A86 PolarHBondContact O-N 2.78Å
87T79.3Confident84.8Confident19 Ų1960.1 Ų60.112%0.11729%0.287CS..Hα-helixtrans-75.1-38.6176-58.70000112.4F11 A83 D84 D85 N89 E90 W105F11-T87 HydrophobicContact CD1-CG2 4.5Å; A83-T87 PolarHBondContact O-N 2.84Å; D84-T87 PolarHBondContact O-N 2.91Å; D85-T87 VanDerWaalsContact C-N 3.32Å; D85-T87 PolarHBondContact O-N 2.98Å; T87-N89 VanDerWaalsContact C-N 3.28Å; T87-N89 PolarHBondContact O-N 3.19Å; T87-E90 PolarHBondContact O-N 3.23Å; T87-W105 HydrophobicContact CG2-CE3 4.45Å; T87-W105 HydrophobicContact CG2-CZ3 4.35Å
88N84.9Confident84.8Confident1 Ų165.8 Ų65.81%0.00531%0.313CS..Hα-helixtrans-69.3-25.3-179.8-76.2-35.9000113.5L9 F11 D84 D85 W105 K106L9-N88 PolarHBondContact O-OD1 2.88Å; F11-N88 WeakPolarHBondContact CB-OD1 3.45Å; F11-N88 PolarHBondContact N-OD1 3.37Å; F11-N88 PolarHBondContact O-ND2 3.11Å; D84-N88 WeakPolarHBondContact O-CB 3.44Å; D84-N88 VanDerWaalsContact O-CG 3.32Å; D84-N88 PolarHBondContact O-N 3.15Å; D84-N88 PolarHBondContact O-ND2 3.13Å; D85-N88 PolarHBondContact O-N 3.14Å; N88-W105 PolarHBondContact O-N 3.39Å; N88-K106 HydrophobicContact CB-CB 4.28Å; N88-K106 PolarHBondContact O-N 3.42Å
89N87.8Confident85Confident75 Ų7563.6 Ų63.640%0.40131%0.31SS..THydrogen-bonded Turntrans-93.78.6177.9-64.1-41.1000113D85 T87 K106D85-N89 VanDerWaalsContact O-CB 3.23Å; D85-N89 WeakPolarHBondContact O-CB 3.32Å; D85-N89 PolarHBondContact O-N 3.04Å; D85-N89 PolarHBondContact O-ND2 2.89Å; T87-N89 VanDerWaalsContact C-N 3.28Å; T87-N89 PolarHBondContact O-N 3.19Å; N89-K106 PolarHBondContact OD1-NZ 2.94Å
90E84.9Confident85.4Confident80 Ų8060.2 Ų60.237%0.37430%0.298SS..  trans-61.6141.6167-71.9-177.4-166.300109.7T87 C104 W105T87-E90 PolarHBondContact O-N 3.23Å; E90-C104 CarbonylContact O-C 3.57Å; E90-C104 WeakPolarHBondContact O-CA 3.19Å; E90-W105 HydrophobicContact CB-CD2 4Å; E90-W105 HydrophobicContact CB-CG 4.11Å; E90-W105 HydrophobicContact CB-CZ2 4.36Å; E90-W105 PolarHBondContact O-N 3.24Å; E90-W105 WeakPolarHBondContact OE2-CH2 3.34Å; E90-W105 WeakPolarHBondContact OE2-CZ2 3.48Å
91E89.7Confident86Confident111 Ų11162.1 Ų62.152%0.51931%0.312SS..EExtended strand (participates in β ladder)trans-90.1147.6-176.7-63.6-175.1167.400111K102 I103 W105E91-K102 WeakPolarHBondContact OE2-CD 2.99Å; E91-K102 IonicContact OE2-NZ 2.86Å; E91-K102 PolarHBondContact OE2-NZ 3Å; E91-I103 CarbonylContact C-O 3.59Å; E91-I103 WeakPolarHBondContact CA-O 3.26Å; E91-W105 PolarHBondContact O-NE1 2.91Å
92T90.6Very high86.5Confident7 Ų766 Ų664%0.04333%0.328CS..EExtended strand (participates in β ladder)trans-141.9154.6168.5-170.30000110.1V94 K102 I103 V114 P123T92-V94 HydrophobicContact CG2-CG2 4.33Å; T92-K102 WeakPolarHBondContact O-CA 3.34Å; T92-I103 HydrophobicContact CG2-CG1 3.92Å; T92-I103 PolarHBondContact N-O 3.15Å; T92-I103 PolarHBondContact O-N 2.93Å; T92-V114 VanDerWaalsContact OG1-CG1 3.22Å; T92-V114 WeakPolarHBondContact OG1-CG1 2.99Å; T92-P123 HydrophobicContact CG2-CG 4.48Å
93L93.5Very high86.9Confident31 Ų3157.9 Ų57.916%0.16230%0.298CS..EExtended strand (participates in β ladder)trans-91.1125.6178.1-67.1167.5000110.3W100 K102 V114 K115 L117L93-W100 HydrophobicContact CB-CE3 4.33Å; L93-W100 HydrophobicContact CD2-CB 4.44Å; L93-K102 HydrophobicContact CD2-CB 4.47Å; L93-K102 HydrophobicContact CD2-CG 3.44Å; L93-K102 VanDerWaalsContact CD2-CG 3.44Å; L93-K102 HydrophobicContact CG-CG 4.49Å; L93-V114 CarbonylContact O-C 3.52Å; L93-V114 WeakPolarHBondContact O-CA 3.47Å; L93-K115 HydrophobicContact CB-CB 3.98Å; L93-K115 HydrophobicContact CD1-CD 4.08Å; L93-K115 HydrophobicContact CD1-CG 4.39Å; L93-K115 PolarHBondContact O-N 3.02Å; L93-L117 HydrophobicContact CD1-CD1 4.32Å; L93-L117 HydrophobicContact CD1-CG 4.44Å
94V93Very high87.5Confident0 Ų058.5 Ų58.50%030%0.3CS..EExtended strand (participates in β ladder)trans-122.1140.9175.5173.80000110.5T92 R96 V101 I103 L108 D112 L113 V114T92-V94 HydrophobicContact CG2-CG2 4.33Å; V94-R96 HydrophobicContact CG1-CG 4.1Å; V94-R96 PolarHBondContact O-N 3.04Å; V94-V101 PolarHBondContact N-O 2.81Å; V94-V101 PolarHBondContact O-N 2.89Å; V94-I103 HydrophobicContact CB-CD1 3.93Å; V94-I103 HydrophobicContact CB-CG1 4.18Å; V94-I103 HydrophobicContact CG1-CD1 4.5Å; V94-I103 HydrophobicContact CG2-CD1 3.35Å; V94-I103 HydrophobicContact CG2-CG1 3.67Å; V94-L108 HydrophobicContact CG2-CD1 3.67Å; V94-D112 HydrophobicContact CG1-CB 3.87Å; V94-L113 CarbonylContact C-O 3.55Å; V94-L113 VanDerWaalsContact CA-O 3.3Å; V94-L113 WeakPolarHBondContact CA-O 3.46Å; V94-V114 HydrophobicContact CG2-CG2 4.13Å
95L91.2Very high88Confident22 Ų2259.2 Ų59.212%0.11530%0.303CS..EExtended strand (participates in β ladder)trans-78.6111.9177-170.966.3000110W100 L113 A166 L169L95-W100 HydrophobicContact CB-CE3 4.04Å; L95-W100 HydrophobicContact CB-CH2 4.06Å; L95-W100 HydrophobicContact CB-CZ3 3.71Å; L95-W100 HydrophobicContact CD1-CD2 4.17Å; L95-W100 HydrophobicContact CD1-CE3 4.38Å; L95-W100 HydrophobicContact CD1-CH2 4.45Å; L95-W100 HydrophobicContact CD1-CZ2 4.25Å; L95-L113 HydrophobicContact CB-CB 4.03Å; L95-L113 HydrophobicContact CD2-CD1 3.91Å; L95-L113 PolarHBondContact N-O 2.99Å; L95-A166 HydrophobicContact CD1-CB 3.92Å; L95-L169 HydrophobicContact CD2-CB 3.97Å
96R87.4Confident88.1Confident99 Ų9959 Ų5937%0.37430%0.299SS..EExtended strand (participates in β ladder)trans-131.2131.7173.5-64.1-170.5175.8177.51.1109.6V94 H98 V99 V101 D112V94-R96 HydrophobicContact CG1-CG 4.1Å; V94-R96 PolarHBondContact O-N 3.04Å; R96-H98 VanDerWaalsContact C-N 3.29Å; R96-H98 PolarHBondContact O-N 3.22Å; R96-V99 PolarHBondContact N-O 3.42Å; R96-V99 PolarHBondContact O-N 3.45Å; R96-V101 HydrophobicContact CB-CG2 4.22Å; R96-D112 IonicContact NH2-OD2 2.78Å
97N82.7Confident88.3Confident151 Ų15160.3 Ų60.381%0.80730%0.299SS*.THydrogen-bonded Turntrans50.644.5-179.7-58.6-31.6000113.5V99N97-V99 PolarHBondContact O-N 3.24Å
98H81.9Confident88.8Confident130 Ų13059.5 Ų59.560%0.60229%0.294SS*.THydrogen-bonded Turntrans63.811.2-177.6-47.1-81.2000115.6R96 S170R96-H98 VanDerWaalsContact C-N 3.29Å; R96-H98 PolarHBondContact O-N 3.22Å; H98-S170 PolarHBondContact CE1-OG 3.17Å; H98-S170 WeakPolarHBondContact ND1-CB 3.38Å; H98-S170 PolarHBondContact ND1-OG 3.29Å
99V87.7Confident89Confident91 Ų9165.8 Ų65.855%0.55232%0.323SS*.EExtended strand (participates in β ladder)trans-124.7141.5179.4-178.10000109.9R96 N97 V101R96-V99 PolarHBondContact N-O 3.42Å; R96-V99 PolarHBondContact O-N 3.45Å; N97-V99 PolarHBondContact O-N 3.24Å; V99-V101 PolarHBondContact O-N 2.94Å
100W89.8Confident89.1Confident43 Ų4365 Ų6516%0.16332%0.32CS..EExtended strand (participates in β ladder)trans-73.9113.3171.4-64.1106.8000110L93 L95 K115 L169 F221 R1195L93-W100 HydrophobicContact CB-CE3 4.33Å; L93-W100 HydrophobicContact CD2-CB 4.44Å; L95-W100 HydrophobicContact CB-CE3 4.04Å; L95-W100 HydrophobicContact CB-CH2 4.06Å; L95-W100 HydrophobicContact CB-CZ3 3.71Å; L95-W100 HydrophobicContact CD1-CD2 4.17Å; L95-W100 HydrophobicContact CD1-CE3 4.38Å; L95-W100 HydrophobicContact CD1-CH2 4.45Å; L95-W100 HydrophobicContact CD1-CZ2 4.25Å; W100-K115 HydrophobicContact CD2-CB 4.24Å; W100-K115 HydrophobicContact CD2-CD 4.19Å; W100-K115 HydrophobicContact CE3-CB 3.69Å; W100-K115 HydrophobicContact CE3-CD 4.47Å; W100-K115 HydrophobicContact CH2-CB 3.74Å; W100-K115 HydrophobicContact CZ2-CB 4.27Å; W100-K115 HydrophobicContact CZ2-CD 4.39Å; W100-K115 HydrophobicContact CZ3-CB 3.42Å; W100-K115 VanDerWaalsContact CZ3-CB 3.42Å; W100-L169 HydrophobicContact CH2-CD1 3.9Å; W100-L169 HydrophobicContact CZ2-CD1 3.84Å; W100-F221 AromaticContact CH2-CD1 3.62Å; W100-F221 HydrophobicContact CH2-CD1 3.62Å; W100-F221 AromaticContact CH2-CE1 3.58Å; W100-F221 HydrophobicContact CH2-CE1 3.58Å; W100-F221 HydrophobicContact CH2-CG 4.48Å; W100-F221 HydrophobicContact CH2-CZ 4.38Å; W100-F221 AromaticContact CZ2-CD1 3.8Å; W100-F221 HydrophobicContact CZ2-CD1 3.8Å; W100-F221 AromaticContact CZ2-CE1 3.25Å; W100-F221 HydrophobicContact CZ2-CE1 3.25Å; W100-F221 AromaticContact CZ2-CZ 3.71Å; W100-F221 HydrophobicContact CZ2-CZ 3.71Å; W100-R1195 PolarHBondContact NE1-OXT 2.74Å
101V92.3Very high89.3Confident60 Ų6063.3 Ų63.336%0.36433%0.325SS..EExtended strand (participates in β ladder)trans-108.3132.5178.1-178.80000108.7V94 R96 V99 I103V94-V101 PolarHBondContact N-O 2.81Å; V94-V101 PolarHBondContact O-N 2.89Å; R96-V101 HydrophobicContact CB-CG2 4.22Å; V99-V101 PolarHBondContact O-N 2.94Å; V101-I103 HydrophobicContact CG1-CG2 4.25Å
102K92.6Very high89.4Confident137 Ų13759.3 Ų59.360%0.59631%0.307SS*.EExtended strand (participates in β ladder)trans-74.2125170.8-71.3180158.9-146.90109.8E91 T92 L93E91-K102 WeakPolarHBondContact OE2-CD 2.99Å; E91-K102 IonicContact OE2-NZ 2.86Å; E91-K102 PolarHBondContact OE2-NZ 3Å; T92-K102 WeakPolarHBondContact O-CA 3.34Å; L93-K102 HydrophobicContact CD2-CB 4.47Å; L93-K102 HydrophobicContact CD2-CG 3.44Å; L93-K102 VanDerWaalsContact CD2-CG 3.44Å; L93-K102 HydrophobicContact CG-CG 4.49Å
103I91.4Very high89.5Confident16 Ų1660.7 Ų60.78%0.08231%0.314CS..EExtended strand (participates in β ladder)trans-126.8156.9174.167.1166.3000110E91 T92 V94 V101 L108E91-I103 CarbonylContact C-O 3.59Å; E91-I103 WeakPolarHBondContact CA-O 3.26Å; T92-I103 HydrophobicContact CG2-CG1 3.92Å; T92-I103 PolarHBondContact N-O 3.15Å; T92-I103 PolarHBondContact O-N 2.93Å; V94-I103 HydrophobicContact CB-CD1 3.93Å; V94-I103 HydrophobicContact CB-CG1 4.18Å; V94-I103 HydrophobicContact CG1-CD1 4.5Å; V94-I103 HydrophobicContact CG2-CD1 3.35Å; V94-I103 HydrophobicContact CG2-CG1 3.67Å; V101-I103 HydrophobicContact CG1-CG2 4.25Å; I103-L108 HydrophobicContact CD1-CB 4.2Å; I103-L108 HydrophobicContact CD1-CD1 4.14Å
104C90.7Very high89.5Confident33 Ų3359.2 Ų59.222%0.22331%0.306CS..EExtended strand (participates in β ladder)trans-74151.6171.1-66.70000110.1E90 K106 D107E90-C104 CarbonylContact O-C 3.57Å; E90-C104 WeakPolarHBondContact O-CA 3.19Å; C104-K106 HydrophobicContact CB-CD 4.34Å; C104-K106 HydrophobicContact CB-CG 3.9Å; C104-K106 PolarHBondContact O-N 3.05Å; C104-D107 PolarHBondContact O-N 2.81Å
105W89.2Confident89.5Confident17 Ų1760.3 Ų60.36%0.06431%0.311CS..G310 helixtrans-54.2-38.8177.1-77.122.3000112.3L9 T87 N88 E90 E91 D107 L108 G121 P123L9-W105 VanDerWaalsContact CB-O 3.24Å; L9-W105 WeakPolarHBondContact CB-O 3.23Å; L9-W105 WeakPolarHBondContact CD1-O 3.28Å; L9-W105 HydrophobicContact CD2-CB 4.31Å; L9-W105 WeakPolarHBondContact CD2-O 3.28Å; L9-W105 WeakPolarHBondContact CG-O 3.36Å; T87-W105 HydrophobicContact CG2-CE3 4.45Å; T87-W105 HydrophobicContact CG2-CZ3 4.35Å; N88-W105 PolarHBondContact O-N 3.39Å; E90-W105 HydrophobicContact CB-CD2 4Å; E90-W105 HydrophobicContact CB-CG 4.11Å; E90-W105 HydrophobicContact CB-CZ2 4.36Å; E90-W105 PolarHBondContact O-N 3.24Å; E90-W105 WeakPolarHBondContact OE2-CH2 3.34Å; E90-W105 WeakPolarHBondContact OE2-CZ2 3.48Å; E91-W105 PolarHBondContact O-NE1 2.91Å; W105-D107 PolarHBondContact O-N 2.94Å; W105-D107 VanDerWaalsContact O-N 3.13Å; W105-L108 WeakPolarHBondContact O-CB 3.42Å; W105-L108 PolarHBondContact O-N 2.81Å; W105-G121 WeakPolarHBondContact CZ2-O 3.27Å; W105-P123 HydrophobicContact CD2-CB 3.68Å; W105-P123 HydrophobicContact CE3-CB 4.23Å; W105-P123 HydrophobicContact CG-CB 3.91Å; W105-P123 HydrophobicContact CZ2-CB 4.06Å
106K86.3Confident89.6Confident62 Ų6259.3 Ų59.327%0.2731%0.306SS..G310 helixtrans-57.5-24.9177.871.2-169.8178.3-163.10115L9 N88 N89 C104L9-K106 PolarHBondContact N-O 2.84Å; N88-K106 HydrophobicContact CB-CB 4.28Å; N88-K106 PolarHBondContact O-N 3.42Å; N89-K106 PolarHBondContact OD1-NZ 2.94Å; C104-K106 HydrophobicContact CB-CD 4.34Å; C104-K106 HydrophobicContact CB-CG 3.9Å; C104-K106 PolarHBondContact O-N 3.05Å
107D88.4Confident89.9Confident82 Ų8257.4 Ų57.444%0.43930%0.302SS..G310 helixtrans-99.54.7-174-57.8-45000113C104 W105C104-D107 PolarHBondContact O-N 2.81Å; W105-D107 PolarHBondContact O-N 2.94Å; W105-D107 VanDerWaalsContact O-N 3.13Å
108L88.5Confident90.1Very high2 Ų252.4 Ų52.41%0.0128%0.279CS..  trans-81.1130.6178.9179.573.9000111.1L9 V94 I103 W105 D112 V114 P123 A124 T224L9-L108 HydrophobicContact CD1-CB 3.72Å; L9-L108 HydrophobicContact CD1-CD2 3.81Å; L9-L108 HydrophobicContact CD1-CG 4.08Å; V94-L108 HydrophobicContact CG2-CD1 3.67Å; I103-L108 HydrophobicContact CD1-CB 4.2Å; I103-L108 HydrophobicContact CD1-CD1 4.14Å; W105-L108 WeakPolarHBondContact O-CB 3.42Å; W105-L108 PolarHBondContact O-N 2.81Å; L108-D112 HydrophobicContact CD1-CB 3.68Å; L108-V114 HydrophobicContact CD1-CG2 3.58Å; L108-V114 HydrophobicContact CD2-CG2 4.37Å; L108-P123 HydrophobicContact CD2-CB 3.96Å; L108-P123 HydrophobicContact CD2-CG 3.95Å; L108-A124 HydrophobicContact CD2-CB 3.74Å; L108-T224 HydrophobicContact CD2-CG2 4.19Å; L108-T224 HydrophobicContact CG-CG2 4.32Å
109E89.3Confident90.3Very high132 Ų13251.3 Ų51.362%0.61728%0.278SS*.  trans-113160.3-177.8-62.9-175174.500112.3G111 D112E109-G111 PolarHBondContact O-N 2.9Å; E109-D112 PolarHBondContact N-OD2 2.84Å; E109-D112 WeakPolarHBondContact O-CB 3.48Å; E109-D112 PolarHBondContact O-N 3.49Å
110V89.7Confident90.3Very high58 Ų5850.3 Ų50.335%0.35227%0.267SS..THydrogen-bonded Turntrans-66.7132.2174.5176.30000109L6 V225 T227L6-V110 HydrophobicContact CD1-CB 3.84Å; L6-V110 HydrophobicContact CD1-CG1 4.36Å; L6-V110 HydrophobicContact CD1-CG2 3.78Å; L6-V110 HydrophobicContact CD2-CG2 4.16Å; L6-V110 HydrophobicContact CG-CG2 4.45Å; V110-V225 WeakPolarHBondContact CG1-O 3.38Å; V110-V225 WeakPolarHBondContact CG2-O 3.27Å; V110-T227 HydrophobicContact CG2-CG2 3.89Å
111G89.4Confident90.2Very high45 Ų4549.9 Ų49.946%0.46428%0.276SS..THydrogen-bonded Turntrans94.9-10.4-17400000114.5E109 L223 T224E109-G111 PolarHBondContact O-N 2.9Å; G111-L223 WeakPolarHBondContact O-CD1 3.25Å; G111-T224 PolarHBondContact N-O 3.12Å
112D91.6Very high90.2Very high27 Ų2747 Ų4714%0.14426%0.259CS..  trans-66.1135.1173.6-83.3-21000110.9V94 R96 L108 E109 T224V94-D112 HydrophobicContact CG1-CB 3.87Å; R96-D112 IonicContact NH2-OD2 2.78Å; L108-D112 HydrophobicContact CD1-CB 3.68Å; E109-D112 PolarHBondContact N-OD2 2.84Å; E109-D112 WeakPolarHBondContact O-CB 3.48Å; E109-D112 PolarHBondContact O-N 3.49Å; D112-T224 WeakPolarHBondContact O-CB 3.17Å; D112-T224 PolarHBondContact O-N 2.94Å; D112-T224 PolarHBondContact O-OG1 2.76Å
113L93.1Very high90Very high36 Ų3640.5 Ų40.519%0.18823%0.23CC..EExtended strand (participates in β ladder)trans-85.8116.8172-71.7172.3000109.8V94 L95 L129 L223V94-L113 CarbonylContact C-O 3.55Å; V94-L113 VanDerWaalsContact CA-O 3.3Å; V94-L113 WeakPolarHBondContact CA-O 3.46Å; L95-L113 HydrophobicContact CB-CB 4.03Å; L95-L113 HydrophobicContact CD2-CD1 3.91Å; L95-L113 PolarHBondContact N-O 2.99Å; L113-L129 HydrophobicContact CD2-CD1 3.53Å; L113-L223 HydrophobicContact CD2-CB 4.31Å; L113-L223 HydrophobicContact CD2-CD1 3.91Å; L113-L223 HydrophobicContact CG-CD1 4.49Å
114V93.4Very high90Very high0 Ų039.7 Ų39.70%023%0.226CC..EExtended strand (participates in β ladder)trans-108.3136.1-173.6-174.20000110.3T92 L93 V94 L108 V116 P123 L126 F221 G222 T224T92-V114 VanDerWaalsContact OG1-CG1 3.22Å; T92-V114 WeakPolarHBondContact OG1-CG1 2.99Å; L93-V114 CarbonylContact O-C 3.52Å; L93-V114 WeakPolarHBondContact O-CA 3.47Å; V94-V114 HydrophobicContact CG2-CG2 4.13Å; L108-V114 HydrophobicContact CD1-CG2 3.58Å; L108-V114 HydrophobicContact CD2-CG2 4.37Å; V114-V116 HydrophobicContact CG1-CG2 3.87Å; V114-P123 HydrophobicContact CG1-CG 4.33Å; V114-L126 HydrophobicContact CB-CD1 4.28Å; V114-L126 HydrophobicContact CB-CD2 4.45Å; V114-L126 HydrophobicContact CG1-CD1 4.44Å; V114-L126 HydrophobicContact CG2-CD2 4.16Å; V114-F221 WeakPolarHBondContact O-CA 3.39Å; V114-G222 PolarHBondContact N-O 3.5Å; V114-G222 PolarHBondContact O-N 3.34Å; V114-T224 VanDerWaalsContact CG2-OG1 3.3Å; V114-T224 WeakPolarHBondContact CG2-OG1 3.38Å
115K93.7Very high90.2Very high23 Ų2338.1 Ų38.110%0.122%0.216CC..EExtended strand (participates in β ladder)trans-103.2120.4165.2-179.9-178.1-168.1173.10109L93 W100 L117 I220 F221 G1194L93-K115 HydrophobicContact CB-CB 3.98Å; L93-K115 HydrophobicContact CD1-CD 4.08Å; L93-K115 HydrophobicContact CD1-CG 4.39Å; L93-K115 PolarHBondContact O-N 3.02Å; W100-K115 HydrophobicContact CD2-CB 4.24Å; W100-K115 HydrophobicContact CD2-CD 4.19Å; W100-K115 HydrophobicContact CE3-CB 3.69Å; W100-K115 HydrophobicContact CE3-CD 4.47Å; W100-K115 HydrophobicContact CH2-CB 3.74Å; W100-K115 HydrophobicContact CZ2-CB 4.27Å; W100-K115 HydrophobicContact CZ2-CD 4.39Å; W100-K115 HydrophobicContact CZ3-CB 3.42Å; W100-K115 VanDerWaalsContact CZ3-CB 3.42Å; K115-L117 HydrophobicContact CD-CD2 4.39Å; K115-L117 HydrophobicContact CG-CD2 4.35Å; K115-I220 WeakPolarHBondContact CA-O 3.29Å; K115-F221 HydrophobicContact CB-CD1 3.99Å; K115-F221 HydrophobicContact CB-CE1 4.03Å; K115-F221 HydrophobicContact CD-CE1 3.8Å; K115-F221 HydrophobicContact CG-CD1 4.03Å; K115-F221 HydrophobicContact CG-CE1 3.75Å; K115-G1194 PolarHBondContact NZ-O 2.78Å
116V93.1Very high90.4Very high1 Ų137.3 Ų37.31%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-109.7132.2176.1-175.90000108.5V114 E120 I122 L126 L214 W219 I220V114-V116 HydrophobicContact CG1-CG2 3.87Å; V116-E120 HydrophobicContact CG1-CB 4.06Å; V116-I122 HydrophobicContact CG1-CG1 4.48Å; V116-L126 HydrophobicContact CG2-CD1 3.97Å; V116-L214 HydrophobicContact CB-CD2 4.49Å; V116-L214 HydrophobicContact CG1-CB 4.19Å; V116-L214 HydrophobicContact CG1-CD2 4.24Å; V116-W219 VanDerWaalsContact O-CA 3.25Å; V116-W219 WeakPolarHBondContact O-CA 3.03Å; V116-I220 HydrophobicContact CB-CD1 4.13Å; V116-I220 HydrophobicContact CB-CG1 3.76Å; V116-I220 HydrophobicContact CG2-CD1 4.39Å; V116-I220 HydrophobicContact CG2-CG1 4.33Å; V116-I220 PolarHBondContact N-O 3.21Å; V116-I220 VanDerWaalsContact N-O 3.13Å; V116-I220 PolarHBondContact O-N 3.42Å
117L92.4Very high90.8Very high59 Ų5934.5 Ų34.531%0.30920%0.2SC..EExtended strand (participates in β ladder)trans-95166.3179.8-53.4176.1000111.9L93 K115 N119 E120 L214 W219L93-L117 HydrophobicContact CD1-CD1 4.32Å; L93-L117 HydrophobicContact CD1-CG 4.44Å; K115-L117 HydrophobicContact CD-CD2 4.39Å; K115-L117 HydrophobicContact CG-CD2 4.35Å; L117-N119 PolarHBondContact O-N 2.67Å; L117-E120 HydrophobicContact CB-CG 4.2Å; L117-E120 WeakPolarHBondContact CB-OE2 3.37Å; L117-E120 PolarHBondContact N-OE2 2.81Å; L117-E120 WeakPolarHBondContact O-CB 3.48Å; L117-E120 PolarHBondContact O-N 2.83Å; L117-L214 WeakPolarHBondContact O-CD2 3.25Å; L117-W219 HydrophobicContact CD2-CB 4.14Å
118S88.8Confident91.1Very high46 Ų4630.6 Ų30.632%0.32218%0.18SC..THydrogen-bonded Turntrans-57135.1177.6-148.20000112.3E120 T217 K218S118-E120 PolarHBondContact O-N 2.82Å; S118-T217 WeakPolarHBondContact CA-O 3.4Å; S118-T217 WeakPolarHBondContact CB-O 3.4Å; S118-T217 PolarHBondContact OG-O 3.22Å; S118-K218 PolarHBondContact N-O 2.86Å
119N85.8Confident91.3Very high107 Ų10730.9 Ų30.957%0.57218%0.181SC*.THydrogen-bonded Turntrans66.511.4-177-55.5-63.5000115.9L117 L214 K215L117-N119 PolarHBondContact O-N 2.67Å; N119-L214 WeakPolarHBondContact CA-O 3.41Å; N119-L214 PolarHBondContact N-O 2.67Å; N119-K215 VanDerWaalsContact OD1-CD 3.22Å; N119-K215 WeakPolarHBondContact OD1-CD 3.22Å; N119-K215 PolarHBondContact OD1-NZ 3.48Å; N119-K215 VanDerWaalsContact OD1-NZ 3.13Å
120E87.6Confident91.5Very high71 Ų7124.6 Ų24.633%0.33215%0.152SC..PPolyproline II helixtrans-89151.2171.8-65.2-179.1163.800111.7V116 L117 S118 L214V116-E120 HydrophobicContact CG1-CB 4.06Å; L117-E120 HydrophobicContact CB-CG 4.2Å; L117-E120 WeakPolarHBondContact CB-OE2 3.37Å; L117-E120 PolarHBondContact N-OE2 2.81Å; L117-E120 WeakPolarHBondContact O-CB 3.48Å; L117-E120 PolarHBondContact O-N 2.83Å; S118-E120 PolarHBondContact O-N 2.82Å; E120-L214 PolarHBondContact O-N 3.35Å
121G87.1Confident91.6Very high33 Ų3322 Ų2234%0.3414%0.136SC..BIsolated β-bridgetrans-76.9146173.300000111.6W105W105-G121 WeakPolarHBondContact CZ2-O 3.27Å
122I91.6Very high91.7Very high0 Ų020 Ų200%012%0.115CC..PPolyproline II helixtrans-83.9123.5179.8-68.1144.4000110.2V116 A124 L126 I140 I208 G211 A212V116-I122 HydrophobicContact CG1-CG1 4.48Å; I122-A124 WeakPolarHBondContact CG2-O 3.38Å; I122-L126 HydrophobicContact CG2-CD1 4.07Å; I122-L126 HydrophobicContact CG2-CG 4.17Å; I122-I140 HydrophobicContact CD1-CG2 4.36Å; I122-I208 HydrophobicContact CB-CG2 4.46Å; I122-I208 HydrophobicContact CD1-CG2 3.15Å; I122-I208 HydrophobicContact CG1-CG2 3.85Å; I122-I208 HydrophobicContact CG2-CG2 4.05Å; I122-G211 PolarHBondContact O-N 2.75Å; I122-A212 HydrophobicContact CD1-CB 3.68Å; I122-A212 WeakPolarHBondContact CD1-O 3.27Å; I122-A212 PolarHBondContact N-O 3.32Å
123P89.7Confident91.5Very high0 Ų019 Ų190%011%0.109CC..  trans-73.9-33-170.826.3-34.8000114.7T92 W105 L108 V114 R210T92-P123 HydrophobicContact CG2-CG 4.48Å; W105-P123 HydrophobicContact CD2-CB 3.68Å; W105-P123 HydrophobicContact CE3-CB 4.23Å; W105-P123 HydrophobicContact CG-CB 3.91Å; W105-P123 HydrophobicContact CZ2-CB 4.06Å; L108-P123 HydrophobicContact CD2-CB 3.96Å; L108-P123 HydrophobicContact CD2-CG 3.95Å; V114-P123 HydrophobicContact CG1-CG 4.33Å; P123-R210 WeakPolarHBondContact O-CD 3.42Å
124A91.2Very high91.2Very high0 Ų019.7 Ų19.70%012%0.116CC..SBendtrans-149174.8-17100000110.3L9 L108 I122 L126 T224 Y226 T227L9-A124 HydrophobicContact CD1-CB 4.43Å; L108-A124 HydrophobicContact CD2-CB 3.74Å; I122-A124 WeakPolarHBondContact CG2-O 3.38Å; A124-L126 HydrophobicContact CB-CD2 4.28Å; A124-L126 PolarHBondContact O-N 2.85Å; A124-T224 HydrophobicContact CB-CG2 3.81Å; A124-Y226 WeakPolarHBondContact CB-O 3.45Å; A124-T227 HydrophobicContact CB-CG2 4.22Å
125D93.4Very high90.8Very high0 Ų024.3 Ų24.30%014%0.137CC..EExtended strand (participates in β ladder)trans-77.9115.3173.7-63.1-15.6000108.6L207 I208 L209 R210 V225 Y226 S231 K232D125-L207 HydrophobicContact CB-CD1 4.47Å; D125-I208 CarbonylContact C-O 3.46Å; D125-I208 WeakPolarHBondContact CA-O 3.36Å; D125-L209 WeakPolarHBondContact OD1-CA 3.43Å; D125-R210 PolarHBondContact OD1-N 3.49Å; D125-V225 PolarHBondContact O-N 3.25Å; D125-Y226 HydrophobicContact CB-CD2 4.07Å; D125-Y226 PolarHBondContact N-O 3.2Å; D125-Y226 PolarHBondContact O-N 3.29Å; D125-S231 VanDerWaalsContact OD2-CA 3.28Å; D125-S231 WeakPolarHBondContact OD2-CA 3.33Å; D125-K232 PolarHBondContact OD2-N 2.96Å
126L94.4Very high90.6Very high0 Ų023.2 Ų23.20%013%0.133CC..EExtended strand (participates in β ladder)trans-112.1140-172.6-53.3-178.1000111.4V114 V116 I122 A124 I208 L223 T224V114-L126 HydrophobicContact CB-CD1 4.28Å; V114-L126 HydrophobicContact CB-CD2 4.45Å; V114-L126 HydrophobicContact CG1-CD1 4.44Å; V114-L126 HydrophobicContact CG2-CD2 4.16Å; V116-L126 HydrophobicContact CG2-CD1 3.97Å; I122-L126 HydrophobicContact CG2-CD1 4.07Å; I122-L126 HydrophobicContact CG2-CG 4.17Å; A124-L126 HydrophobicContact CB-CD2 4.28Å; A124-L126 PolarHBondContact O-N 2.85Å; L126-I208 HydrophobicContact CB-CB 4.47Å; L126-I208 PolarHBondContact N-O 3.32Å; L126-I208 PolarHBondContact O-N 2.91Å; L126-L223 CarbonylContact C-O 3.41Å; L126-L223 VanDerWaalsContact CA-O 3.29Å; L126-L223 WeakPolarHBondContact CA-O 3.26Å; L126-T224 HydrophobicContact CD2-CG2 4.35Å; L126-T224 WeakPolarHBondContact CD2-OG1 3.45Å
127V94.6Very high90.4Very high2 Ų223.2 Ų23.21%0.01213%0.133CC..EExtended strand (participates in β ladder)trans-89123.6165.41700000109.2L129 F188 L202 Q206 L207 G222 L223 V225V127-L129 PolarHBondContact O-N 2.9Å; V127-F188 HydrophobicContact CG2-CE1 4.44Å; V127-F188 HydrophobicContact CG2-CZ 4.41Å; V127-L202 HydrophobicContact CG1-CD1 4.13Å; V127-L202 HydrophobicContact CG1-CD2 3.91Å; V127-L202 HydrophobicContact CG2-CD1 4.24Å; V127-Q206 WeakPolarHBondContact CA-O 3.49Å; V127-L207 HydrophobicContact CG2-CD1 4.27Å; V127-G222 CarbonylContact O-C 3.52Å; V127-G222 WeakPolarHBondContact O-CA 3.23Å; V127-L223 HydrophobicContact CB-CB 4.47Å; V127-L223 PolarHBondContact N-O 3.46Å; V127-L223 PolarHBondContact O-N 3.46Å; V127-V225 HydrophobicContact CB-CG2 4.31Å; V127-V225 HydrophobicContact CG2-CG2 3.5Å; V127-V225 VanDerWaalsContact CG2-CG2 3.5Å
128L94.8Very high90.3Very high1 Ų120.4 Ų20.41%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-71.6117-178.5-179.859.4000111.5A136 R154 Q206 I208 I220L128-A136 WeakPolarHBondContact CD2-O 3.32Å; L128-R154 HydrophobicContact CD2-CB 4.11Å; L128-Q206 PolarHBondContact N-O 2.79Å; L128-I208 HydrophobicContact CB-CD1 3.95Å; L128-I208 HydrophobicContact CB-CG1 4.37Å; L128-I208 HydrophobicContact CD1-CD1 3.98Å; L128-I208 HydrophobicContact CD2-CD1 4.29Å; L128-I208 HydrophobicContact CG-CD1 4.3Å; L128-I220 HydrophobicContact CD1-CB 3.95Å; L128-I220 HydrophobicContact CD1-CG2 3.98Å
129L92.6Very high90.4Very high7 Ų718.3 Ų18.34%0.03710%0.103CC..EExtended strand (participates in β ladder)trans-96.3-55.2177.6-60.9177.9000111.3L113 V127 T160 L169 I192 F221 L223L113-L129 HydrophobicContact CD2-CD1 3.53Å; V127-L129 PolarHBondContact O-N 2.9Å; L129-T160 HydrophobicContact CD2-CG2 4.22Å; L129-T160 CarbonylContact O-C 3.56Å; L129-T160 VanDerWaalsContact O-CB 3.23Å; L129-T160 WeakPolarHBondContact O-CB 3.48Å; L129-T160 PolarHBondContact O-OG1 3.43Å; L129-L169 HydrophobicContact CD1-CD2 4.3Å; L129-I192 HydrophobicContact CD2-CD1 4.41Å; L129-F221 PolarHBondContact N-O 3.17Å; L129-L223 HydrophobicContact CD1-CB 4.26Å
130A92.6Very high90.6Very high0 Ų013.2 Ų13.20%08%0.076CC..EExtended strand (participates in β ladder)trans-146160.9-177.800000111.4L163 I220 F221A130-L163 HydrophobicContact CB-CB 4.47Å; A130-L163 WeakPolarHBondContact CB-O 3.3Å; A130-I220 WeakPolarHBondContact O-CA 3.35Å; A130-F221 HydrophobicContact CB-CB 4.49Å; A130-F221 HydrophobicContact CB-CD2 4.03Å; A130-F221 PolarHBondContact N-O 3.3Å; A130-F221 PolarHBondContact O-N 3.09Å
131S93Very high90.6Very high3 Ų311.4 Ų11.42%0.0217%0.068CC..EExtended strand (participates in β ladder)trans-143.9163.8178.1-174.50000111.1E133 M137 W219S131-E133 PolarHBondContact O-N 2.92Å; S131-E133 PolarHBondContact OG-N 3.17Å; S131-M137 WeakPolarHBondContact CB-O 3.3Å; S131-M137 PolarHBondContact OG-O 2.79Å; S131-W219 PolarHBondContact OG-O 2.98Å; S131-W219 VanDerWaalsContact OG-O 3.14Å
132S91Very high90.5Very high3 Ų310 Ų102%0.0215%0.052CC..SBendtrans-64-22.3168.963.50000114.2K218 W219 P1192S132-K218 PolarHBondContact OG-N 3.48Å; S132-W219 PolarHBondContact N-O 3.39Å; S132-W219 PolarHBondContact OG-N 3.44Å; S132-P1192 VanDerWaalsContact O-CD 3.29Å; S132-P1192 WeakPolarHBondContact O-CD 3.19Å
133E88.7Confident89.9Confident7 Ų710.2 Ų10.23%0.0335%0.054CC..SBendtrans-87.6154.6-179.5-55.4-52.8144.900111.7S131 A136 M137 T217 Y1185 K1191S131-E133 PolarHBondContact O-N 2.92Å; S131-E133 PolarHBondContact OG-N 3.17Å; E133-A136 PolarHBondContact O-N 3.12Å; E133-M137 HydrophobicContact CB-CB 4.38Å; E133-M137 WeakPolarHBondContact CB-O 3.43Å; E133-T217 HydrophobicContact CG-CG2 3.42Å; E133-T217 VanDerWaalsContact CG-CG2 3.42Å; E133-Y1185 VanDerWaalsContact OE2-CE1 3.22Å; E133-Y1185 WeakPolarHBondContact OE2-CE1 3.37Å; E133-K1191 WeakPolarHBondContact OE1-CD 3.38Å; E133-K1191 WeakPolarHBondContact OE1-CE 3.37Å; E133-K1191 IonicContact OE1-NZ 3.76Å; E133-K1191 PolarHBondContact OE1-NZ 2.87Å; E133-K1191 VanDerWaalsContact OE2-CE 3.26Å; E133-K1191 WeakPolarHBondContact OE2-CE 3.12Å; E133-K1191 IonicContact OE2-NZ 3.98Å; E133-K1191 PolarHBondContact OE2-NZ 3.18Å
134P85.8Confident89.4Confident50 Ų5010.8 Ų10.833%0.3256%0.057SC..G310 helixtrans-55.6149.3178.821.3-32.9000112A136 M137 A1184P134-A136 PolarHBondContact O-N 3.32Å; P134-M137 HydrophobicContact CB-CE 4.41Å; P134-M137 HydrophobicContact CG-CE 3.85Å; P134-M137 WeakPolarHBondContact O-CE 3.43Å; P134-M137 WeakPolarHBondContact O-CG 3.37Å; P134-M137 PolarHBondContact O-N 2.79Å; P134-A1184 HydrophobicContact CG-CB 4.25Å; P134-A1184 WeakPolarHBondContact CG-O 3.42Å
135Q85.6Confident88.9Confident97 Ų9711 Ų1145%0.4536%0.058SC..G310 helixtrans57.527.8178.9-54.8-177.9-13.100114.6M137Q135-M137 HydrophobicContact CB-CG 4.38Å; Q135-M137 PolarHBondContact O-N 2.88Å
136A87.9Confident88.1Confident1 Ų112.4 Ų12.41%0.0087%0.066CC..G310 helixtrans5335.4-178.100000113.1L128 E133 P134 G156 T161L128-A136 WeakPolarHBondContact CD2-O 3.32Å; E133-A136 PolarHBondContact O-N 3.12Å; P134-A136 PolarHBondContact O-N 3.32Å; A136-G156 PolarHBondContact O-N 2.83Å; A136-T161 HydrophobicContact CB-CG2 4.27Å
137M90.2Very high87Confident0 Ų012.4 Ų12.40%07%0.066CC..EExtended strand (participates in β ladder)trans-77.7150175.9-68.3-176-72.300111.1S131 E133 P134 Q135 L153 R154 Q155 V1176 L1181 A1184 Y1185S131-M137 WeakPolarHBondContact CB-O 3.3Å; S131-M137 PolarHBondContact OG-O 2.79Å; E133-M137 HydrophobicContact CB-CB 4.38Å; E133-M137 WeakPolarHBondContact CB-O 3.43Å; P134-M137 HydrophobicContact CB-CE 4.41Å; P134-M137 HydrophobicContact CG-CE 3.85Å; P134-M137 WeakPolarHBondContact O-CE 3.43Å; P134-M137 WeakPolarHBondContact O-CG 3.37Å; P134-M137 PolarHBondContact O-N 2.79Å; Q135-M137 HydrophobicContact CB-CG 4.38Å; Q135-M137 PolarHBondContact O-N 2.88Å; M137-L153 HydrophobicContact CB-CD1 4.17Å; M137-L153 HydrophobicContact SD-CD2 4.45Å; M137-R154 CarbonylContact C-O 3.58Å; M137-R154 VanDerWaalsContact CA-O 3.3Å; M137-R154 WeakPolarHBondContact CA-O 3.02Å; M137-Q155 HydrophobicContact CG-CG 4.3Å; M137-V1176 HydrophobicContact CG-CG2 4.06Å; M137-V1176 HydrophobicContact SD-CB 4.18Å; M137-V1176 HydrophobicContact SD-CG1 4.02Å; M137-V1176 HydrophobicContact SD-CG2 3.78Å; M137-L1181 HydrophobicContact CE-CD1 4.39Å; M137-L1181 HydrophobicContact SD-CD1 3.96Å; M137-A1184 HydrophobicContact CE-CB 3.69Å; M137-Y1185 HydrophobicContact CE-CD2 4.47Å; M137-Y1185 HydrophobicContact CE-CE2 3.83Å
138C91Very high86.1Confident0 Ų014.8 Ų14.80%08%0.077CC..EExtended strand (participates in β ladder)trans-146.1157.9162.970.90000113.1L153 R154 L214 T217 I220C138-L153 WeakPolarHBondContact O-CA 3.48Å; C138-L153 VanDerWaalsContact O-CD1 3.32Å; C138-L153 WeakPolarHBondContact O-CD1 3.36Å; C138-R154 PolarHBondContact N-O 3.24Å; C138-R154 PolarHBondContact O-N 2.82Å; C138-L214 HydrophobicContact CB-CD1 4.15Å; C138-T217 HydrophobicContact CB-CG2 3.78Å; C138-I220 HydrophobicContact CB-CG2 3.64Å
139Y89.9Confident85.2Confident2 Ų215.6 Ų15.61%0.0088%0.082CC..EExtended strand (participates in β ladder)trans-104.3128.5173.6-56.5-85.9000109.1L151 K152 L153 K215 N216 T217 L1181 Y1185Y139-L151 HydrophobicContact CD1-CB 4.42Å; Y139-K152 WeakPolarHBondContact CA-O 3.17Å; Y139-L153 HydrophobicContact CD1-CD1 3.75Å; Y139-L153 HydrophobicContact CE1-CD1 3.59Å; Y139-L153 HydrophobicContact CG-CD1 4.27Å; Y139-K215 WeakPolarHBondContact CB-O 3.39Å; Y139-K215 PolarHBondContact O-N 2.8Å; Y139-N216 HydrophobicContact CD2-CB 3.64Å; Y139-N216 HydrophobicContact CE2-CB 4.25Å; Y139-N216 HydrophobicContact CG-CB 4.17Å; Y139-T217 HydrophobicContact CD2-CG2 3.97Å; Y139-L1181 WeakPolarHBondContact OH-CD1 3.26Å; Y139-Y1185 VanDerWaalsContact CE2-OH 3.25Å; Y139-Y1185 WeakPolarHBondContact CE2-OH 3.31Å; Y139-Y1185 PolarHBondContact OH-OH 3.46Å
140I90.4Very high84.7Confident1 Ų115.8 Ų15.81%0.0058%0.083CC..EExtended strand (participates in β ladder)trans-119.7141.1175.462.6168.5000109.2I122 T142 L151 K152 R154 I208 A212 S213 L214I122-I140 HydrophobicContact CD1-CG2 4.36Å; I140-T142 HydrophobicContact CD1-CG2 3.78Å; I140-T142 HydrophobicContact CG1-CG2 4.03Å; I140-L151 CarbonylContact O-C 3.59Å; I140-L151 WeakPolarHBondContact O-CA 3.49Å; I140-K152 HydrophobicContact CG1-CB 4.02Å; I140-K152 WeakPolarHBondContact CG1-O 3.19Å; I140-K152 PolarHBondContact N-O 3.03Å; I140-K152 PolarHBondContact O-N 2.85Å; I140-R154 HydrophobicContact CD1-CG 3.71Å; I140-R154 HydrophobicContact CG1-CG 4.03Å; I140-I208 HydrophobicContact CG2-CG2 4.21Å; I140-A212 HydrophobicContact CB-CB 4.49Å; I140-S213 WeakPolarHBondContact CA-O 3.37Å; I140-L214 HydrophobicContact CG2-CD1 4.32Å
141E86.9Confident84.3Confident32 Ų3216.7 Ų16.715%0.159%0.088CC..EExtended strand (participates in β ladder)trans-93121.7170.4-178.6175.6-120.200108.3L151 A212 S213 K215E141-L151 HydrophobicContact CB-CD2 3.71Å; E141-L151 HydrophobicContact CG-CD2 4.22Å; E141-A212 VanDerWaalsContact O-CA 3.25Å; E141-A212 WeakPolarHBondContact O-CA 3.46Å; E141-A212 WeakPolarHBondContact O-CB 3.4Å; E141-S213 WeakPolarHBondContact CB-OG 3.21Å; E141-S213 PolarHBondContact N-O 3.24Å; E141-S213 PolarHBondContact O-N 3.47Å; E141-S213 VanDerWaalsContact O-N 3.09Å; E141-S213 PolarHBondContact OE2-OG 2.83Å; E141-K215 HydrophobicContact CB-CG 3.8Å; E141-K215 WeakPolarHBondContact OE2-CE 3.23Å; E141-K215 IonicContact OE2-NZ 3.84Å
142T85Confident83.9Confident4 Ų417.2 Ų17.23%0.0259%0.089CC..  trans-11212.7-178.357.70000113.2I140 N144 L145 D146 K152 A212I140-T142 HydrophobicContact CD1-CG2 3.78Å; I140-T142 HydrophobicContact CG1-CG2 4.03Å; T142-N144 PolarHBondContact O-N 3.41Å; T142-L145 WeakPolarHBondContact O-CA 3.46Å; T142-L145 PolarHBondContact O-N 2.87Å; T142-D146 WeakPolarHBondContact CB-OD2 3.46Å; T142-D146 PolarHBondContact O-N 3.49Å; T142-D146 VanDerWaalsContact O-N 3.11Å; T142-D146 PolarHBondContact OG1-OD1 3.36Å; T142-D146 PolarHBondContact OG1-OD2 3.24Å; T142-K152 HydrophobicContact CG2-CD 4.05Å; T142-K152 HydrophobicContact CG2-CG 4.41Å; T142-K152 WeakPolarHBondContact OG1-CD 3.25Å; T142-K152 WeakPolarHBondContact OG1-CE 3.33Å; T142-A212 HydrophobicContact CG2-CB 4.3Å
143S78.3Confident83.7Confident4 Ų417.5 Ų17.53%0.0289%0.091CC..Hα-helixtrans-46.6-42.2178.756.60000112.7L145 G147 E148 E834S143-L145 VanDerWaalsContact C-N 3.3Å; S143-L145 PolarHBondContact O-N 3.3Å; S143-G147 WeakPolarHBondContact O-CA 3.25Å; S143-G147 PolarHBondContact O-N 2.92Å; S143-E148 VanDerWaalsContact CA-O 3.27Å; S143-E148 WeakPolarHBondContact CA-O 3.44Å; S143-E148 PolarHBondContact N-O 3.44Å; S143-E834 WeakPolarHBondContact CB-OE2 3.32Å; S143-E834 PolarHBondContact OG-OE2 3.39Å
144N80.1Confident83.7Confident12 Ų1218.6 Ų18.66%0.0649%0.094CC..Hα-helixtrans-65-24.3176.5-71.8-29.2000115.1T142 G211 G814 A815 N816 E834T142-N144 PolarHBondContact O-N 3.41Å; N144-G211 PolarHBondContact ND2-O 2.97Å; N144-G814 CarbonylContact O-C 3.59Å; N144-A815 WeakPolarHBondContact O-CA 3.33Å; N144-A815 WeakPolarHBondContact O-CB 3.41Å; N144-A815 PolarHBondContact O-N 3.37Å; N144-N816 PolarHBondContact O-N 3.01Å; N144-N816 PolarHBondContact O-OD1 2.89Å; N144-E834 PolarHBondContact ND2-O 2.76Å
145L81Confident83.9Confident6 Ų618.1 Ų18.13%0.0319%0.088CC..Hα-helixtrans-102.8-38.4-169.4-57.6-172.3000113.7T142 S143 L209 A212 V233 A815 N816T142-L145 WeakPolarHBondContact O-CA 3.46Å; T142-L145 PolarHBondContact O-N 2.87Å; S143-L145 VanDerWaalsContact C-N 3.3Å; S143-L145 PolarHBondContact O-N 3.3Å; L145-L209 HydrophobicContact CD1-CB 3.72Å; L145-L209 HydrophobicContact CD1-CD1 4.08Å; L145-A212 HydrophobicContact CD1-CB 4.2Å; L145-V233 HydrophobicContact CD1-CG2 4.31Å; L145-V233 HydrophobicContact CD2-CB 4.34Å; L145-V233 HydrophobicContact CD2-CG1 3.95Å; L145-V233 HydrophobicContact CD2-CG2 3.41Å; L145-V233 VanDerWaalsContact CD2-CG2 3.41Å; L145-V233 HydrophobicContact CG-CG2 4.47Å; L145-A815 HydrophobicContact CD2-CB 4.31Å; L145-N816 WeakPolarHBondContact O-CB 3.08Å
146D76.6Confident84.1Confident29 Ų2913.5 Ų13.516%0.1557%0.067CC..Hα-helixtrans-124.2-16.6-177.251.629.7000112.9T142 E148 K152 G697T142-D146 WeakPolarHBondContact CB-OD2 3.46Å; T142-D146 PolarHBondContact O-N 3.49Å; T142-D146 VanDerWaalsContact O-N 3.11Å; T142-D146 PolarHBondContact OG1-OD1 3.36Å; T142-D146 PolarHBondContact OG1-OD2 3.24Å; D146-E148 VanDerWaalsContact C-N 3.31Å; D146-E148 HydrophobicContact CB-CG 4.49Å; D146-E148 VanDerWaalsContact OD1-CB 3.32Å; D146-E148 WeakPolarHBondContact OD1-CB 3.14Å; D146-E148 PolarHBondContact OD1-N 3.35Å; D146-K152 VanDerWaalsContact OD2-CE 3.25Å; D146-K152 WeakPolarHBondContact OD2-CE 3.49Å; D146-K152 IonicContact OD2-NZ 3.03Å; D146-K152 PolarHBondContact OD2-NZ 3.38Å; D146-G697 WeakPolarHBondContact O-CA 3.32Å
147G70.9Confident84.2Confident0 Ų014.1 Ų14.10%07%0.07CC..  trans80.89.4-17500000113.6S143 T415 N816S143-G147 WeakPolarHBondContact O-CA 3.25Å; S143-G147 PolarHBondContact O-N 2.92Å; G147-T415 WeakPolarHBondContact O-CB 3.48Å; G147-T415 PolarHBondContact O-OG1 3.39Å; G147-N816 PolarHBondContact N-ND2 3.44Å
148E76.8Confident84Confident52 Ų5219.1 Ų19.124%0.24310%0.102CC..  trans-78.6137.8173.3-70.5-179-139.900110.8S143 D146 N150 K152S143-E148 VanDerWaalsContact CA-O 3.27Å; S143-E148 WeakPolarHBondContact CA-O 3.44Å; S143-E148 PolarHBondContact N-O 3.44Å; D146-E148 VanDerWaalsContact C-N 3.31Å; D146-E148 HydrophobicContact CB-CG 4.49Å; D146-E148 VanDerWaalsContact OD1-CB 3.32Å; D146-E148 WeakPolarHBondContact OD1-CB 3.14Å; D146-E148 PolarHBondContact OD1-N 3.35Å; E148-N150 PolarHBondContact OE2-ND2 3.03Å; E148-N150 PolarHBondContact OE2-OD1 3.31Å; E148-K152 VanDerWaalsContact CD-CE 3.42Å; E148-K152 VanDerWaalsContact CD-NZ 3.27Å; E148-K152 IonicContact OE1-NZ 3.84Å; E148-K152 PolarHBondContact OE1-NZ 2.77Å; E148-K152 WeakPolarHBondContact OE2-CE 3.45Å; E148-K152 IonicContact OE2-NZ 3.45Å; E148-K152 PolarHBondContact OE2-NZ 3.03Å
149T75.5Confident83.9Confident18 Ų1821.8 Ų21.811%0.1112%0.118CC..  trans-89.6-12.6179.654.90000113.5T415T149-T415 HydrophobicContact CG2-CG2 3.74Å
150N80.9Confident83.9Confident11 Ų1121.8 Ų21.86%0.05912%0.119CC..SBendtrans-75.1143.9177.742.4-73.1000111E148 K152E148-N150 PolarHBondContact OE2-ND2 3.03Å; E148-N150 PolarHBondContact OE2-OD1 3.31Å; N150-K152 PolarHBondContact O-N 2.95Å
151L85Confident83.7Confident19 Ų1923.7 Ų23.710%0.09913%0.13CC..EExtended strand (participates in β ladder)trans-75.1123.6168.7-59.8-177.6000108.6Y139 I140 E141 K215 N216 A514 S515Y139-L151 HydrophobicContact CD1-CB 4.42Å; I140-L151 CarbonylContact O-C 3.59Å; I140-L151 WeakPolarHBondContact O-CA 3.49Å; E141-L151 HydrophobicContact CB-CD2 3.71Å; E141-L151 HydrophobicContact CG-CD2 4.22Å; L151-K215 HydrophobicContact CD1-CB 3.94Å; L151-K215 HydrophobicContact CD2-CB 3.89Å; L151-K215 HydrophobicContact CD2-CG 3.91Å; L151-N216 WeakPolarHBondContact CD1-ND2 3.06Å; L151-A514 WeakPolarHBondContact CD1-O 3.37Å; L151-S515 PolarHBondContact N-O 3.48Å
152K84Confident83.7Confident14 Ų1427.6 Ų27.66%0.06115%0.148CC..EExtended strand (participates in β ladder)trans-82.2134.2176.8-64.6-168.2174.6-178.40110Y139 I140 T142 D146 E148 N150 E1171Y139-K152 WeakPolarHBondContact CA-O 3.17Å; I140-K152 HydrophobicContact CG1-CB 4.02Å; I140-K152 WeakPolarHBondContact CG1-O 3.19Å; I140-K152 PolarHBondContact N-O 3.03Å; I140-K152 PolarHBondContact O-N 2.85Å; T142-K152 HydrophobicContact CG2-CD 4.05Å; T142-K152 HydrophobicContact CG2-CG 4.41Å; T142-K152 WeakPolarHBondContact OG1-CD 3.25Å; T142-K152 WeakPolarHBondContact OG1-CE 3.33Å; D146-K152 VanDerWaalsContact OD2-CE 3.25Å; D146-K152 WeakPolarHBondContact OD2-CE 3.49Å; D146-K152 IonicContact OD2-NZ 3.03Å; D146-K152 PolarHBondContact OD2-NZ 3.38Å; E148-K152 VanDerWaalsContact CD-CE 3.42Å; E148-K152 VanDerWaalsContact CD-NZ 3.27Å; E148-K152 IonicContact OE1-NZ 3.84Å; E148-K152 PolarHBondContact OE1-NZ 2.77Å; E148-K152 WeakPolarHBondContact OE2-CE 3.45Å; E148-K152 IonicContact OE2-NZ 3.45Å; E148-K152 PolarHBondContact OE2-NZ 3.03Å; N150-K152 PolarHBondContact O-N 2.95Å; K152-E1171 WeakPolarHBondContact CA-OE2 3.29Å
153L86.6Confident83.9Confident9 Ų927.5 Ų27.55%0.04715%0.148CC..EExtended strand (participates in β ladder)trans-93.3121.6179.2-173.164.8000110.5M137 C138 Y139 E1171 V1176 L1181M137-L153 HydrophobicContact CB-CD1 4.17Å; M137-L153 HydrophobicContact SD-CD2 4.45Å; C138-L153 WeakPolarHBondContact O-CA 3.48Å; C138-L153 VanDerWaalsContact O-CD1 3.32Å; C138-L153 WeakPolarHBondContact O-CD1 3.36Å; Y139-L153 HydrophobicContact CD1-CD1 3.75Å; Y139-L153 HydrophobicContact CE1-CD1 3.59Å; Y139-L153 HydrophobicContact CG-CD1 4.27Å; L153-E1171 PolarHBondContact N-OE2 3.31Å; L153-V1176 HydrophobicContact CD2-CB 3.62Å; L153-V1176 HydrophobicContact CD2-CG2 4.12Å; L153-L1181 HydrophobicContact CD2-CD1 3.83Å
154R89.1Confident84.3Confident29 Ų2930.1 Ų30.111%0.10916%0.161CC..EExtended strand (participates in β ladder)trans-107.5152.6173.7-60.6-61.7-172.4-171.52.5110.2L128 M137 C138 I140 P204 T205 L207 I208L128-R154 HydrophobicContact CD2-CB 4.11Å; M137-R154 CarbonylContact C-O 3.58Å; M137-R154 VanDerWaalsContact CA-O 3.3Å; M137-R154 WeakPolarHBondContact CA-O 3.02Å; C138-R154 PolarHBondContact N-O 3.24Å; C138-R154 PolarHBondContact O-N 2.82Å; I140-R154 HydrophobicContact CD1-CG 3.71Å; I140-R154 HydrophobicContact CG1-CG 4.03Å; R154-P204 PolarHBondContact NH1-O 2.71Å; R154-T205 WeakPolarHBondContact CB-O 3.37Å; R154-T205 WeakPolarHBondContact CD-O 3.46Å; R154-L207 PolarHBondContact NE-O 3.35Å; R154-I208 HydrophobicContact CG-CG1 4.41Å
155Q89.5Confident84.6Confident40 Ų4032.2 Ų32.219%0.18717%0.174CC..EExtended strand (participates in β ladder)trans-135.6124.7-180-168.1-177.121.100109.9M137 T205 Q206 A1175 V1176M137-Q155 HydrophobicContact CG-CG 4.3Å; Q155-T205 PolarHBondContact N-O 3.36Å; Q155-T205 VanDerWaalsContact N-O 3.16Å; Q155-Q206 WeakPolarHBondContact O-CG 3.43Å; Q155-Q206 PolarHBondContact O-NE2 3.12Å; Q155-A1175 HydrophobicContact CB-CB 3.77Å; Q155-V1176 HydrophobicContact CB-CG2 4.14Å; Q155-V1176 HydrophobicContact CG-CG2 4.15Å
156G89.6Confident84.8Confident1 Ų132.3 Ų32.31%0.0118%0.176CC..  trans-68176.8172.700000112.1A136A136-G156 PolarHBondContact O-N 2.83Å
157L90.1Very high85.1Confident14 Ų1432.9 Ų32.97%0.07319%0.189CC..  trans-73.2141.5176-70170.2000110.7V159 T160 T161 I192 H200 L202 Q206L157-V159 PolarHBondContact O-N 3.47Å; L157-V159 VanDerWaalsContact O-N 3.15Å; L157-T160 HydrophobicContact CB-CG2 4.5Å; L157-T160 PolarHBondContact O-N 3.2Å; L157-T160 VanDerWaalsContact O-N 3.1Å; L157-T160 PolarHBondContact O-OG1 3.37Å; L157-T161 PolarHBondContact O-N 3.26Å; L157-T161 PolarHBondContact O-OG1 3.2Å; L157-T161 VanDerWaalsContact O-OG1 3.04Å; L157-I192 HydrophobicContact CD1-CG2 3.26Å; L157-H200 HydrophobicContact CD1-CB 4.05Å; L157-H200 HydrophobicContact CD2-CB 4.36Å; L157-L202 HydrophobicContact CD1-CD2 3.76Å; L157-L202 HydrophobicContact CG-CD2 4.22Å; L157-Q206 HydrophobicContact CD2-CG 4.36Å; L157-Q206 HydrophobicContact CG-CG 4.33Å
158P87.5Confident85.8Confident105 Ų10536.4 Ų36.468%0.68221%0.205SC*.G310 helixtrans-56.1-33.1174.6-26.934.8000112.9T160 T161P158-T160 PolarHBondContact O-N 2.89Å; P158-T161 WeakPolarHBondContact O-CB 3.44Å; P158-T161 PolarHBondContact O-N 3.28Å; P158-T161 PolarHBondContact O-OG1 2.69Å
159V88.2Confident86.3Confident56 Ų5634.1 Ų34.134%0.33919%0.194SC..G310 helixtrans-68.2-32.6-179.4-178.40000112.2L157 H162 T194L157-V159 PolarHBondContact O-N 3.47Å; L157-V159 VanDerWaalsContact O-N 3.15Å; V159-H162 PolarHBondContact O-CE1 2.9Å; V159-H162 PolarHBondContact O-ND1 2.73Å; V159-T194 HydrophobicContact CG1-CG2 4.42Å
160T89.2Confident86.7Confident2 Ų235.5 Ų35.51%0.01221%0.205CC..G310 helixtrans-93.1-3.1-177.854.60000113.2L129 L157 P158 H162 L163 F172L129-T160 HydrophobicContact CD2-CG2 4.22Å; L129-T160 CarbonylContact O-C 3.56Å; L129-T160 VanDerWaalsContact O-CB 3.23Å; L129-T160 WeakPolarHBondContact O-CB 3.48Å; L129-T160 PolarHBondContact O-OG1 3.43Å; L157-T160 HydrophobicContact CB-CG2 4.5Å; L157-T160 PolarHBondContact O-N 3.2Å; L157-T160 VanDerWaalsContact O-N 3.1Å; L157-T160 PolarHBondContact O-OG1 3.37Å; P158-T160 PolarHBondContact O-N 2.89Å; T160-H162 PolarHBondContact O-N 2.88Å; T160-H162 VanDerWaalsContact O-N 3.16Å; T160-L163 HydrophobicContact CG2-CD1 4.16Å; T160-L163 WeakPolarHBondContact O-CB 3.18Å; T160-L163 WeakPolarHBondContact O-CG 3.34Å; T160-L163 PolarHBondContact O-N 2.79Å; T160-L163 VanDerWaalsContact O-N 3.13Å; T160-F172 HydrophobicContact CG2-CE1 4.17Å; T160-F172 HydrophobicContact CG2-CE2 4.47Å; T160-F172 HydrophobicContact CG2-CZ 3.8Å
161T86.7Confident86.9Confident41 Ų4139.5 Ų39.525%0.25223%0.234SC..THydrogen-bonded Turntrans-62.2-26.4-174.6-60.70000113.5A136 L157 P158 L163A136-T161 HydrophobicContact CB-CG2 4.27Å; L157-T161 PolarHBondContact O-N 3.26Å; L157-T161 PolarHBondContact O-OG1 3.2Å; L157-T161 VanDerWaalsContact O-OG1 3.04Å; P158-T161 WeakPolarHBondContact O-CB 3.44Å; P158-T161 PolarHBondContact O-N 3.28Å; P158-T161 PolarHBondContact O-OG1 2.69Å; T161-L163 VanDerWaalsContact C-N 3.32Å
162H88.3Confident87Confident113 Ų11341 Ų4152%0.52324%0.24SC..THydrogen-bonded Turntrans-79.9-10.1-179.268.8-82.3000113.9V159 T160 L164V159-H162 PolarHBondContact O-CE1 2.9Å; V159-H162 PolarHBondContact O-ND1 2.73Å; T160-H162 PolarHBondContact O-N 2.88Å; T160-H162 VanDerWaalsContact O-N 3.16Å; H162-L164 VanDerWaalsContact C-N 3.27Å; H162-L164 PolarHBondContact O-N 3.45Å
163L88Confident87.2Confident3 Ų346 Ų462%0.01627%0.267CS..  trans-77.574.1-177.5-57.2174.8000110.5A130 T160 T161 E168 L169 F172 F221A130-L163 HydrophobicContact CB-CB 4.47Å; A130-L163 WeakPolarHBondContact CB-O 3.3Å; T160-L163 HydrophobicContact CG2-CD1 4.16Å; T160-L163 WeakPolarHBondContact O-CB 3.18Å; T160-L163 WeakPolarHBondContact O-CG 3.34Å; T160-L163 PolarHBondContact O-N 2.79Å; T160-L163 VanDerWaalsContact O-N 3.13Å; T161-L163 VanDerWaalsContact C-N 3.32Å; L163-E168 HydrophobicContact CD2-CB 4Å; L163-L169 HydrophobicContact CB-CD2 3.96Å; L163-L169 HydrophobicContact CB-CG 4.32Å; L163-L169 HydrophobicContact CD1-CD2 4.23Å; L163-F172 HydrophobicContact CD1-CB 4.07Å; L163-F172 HydrophobicContact CD1-CD1 3.85Å; L163-F172 HydrophobicContact CD1-CD2 3.89Å; L163-F172 HydrophobicContact CD1-CE1 4.23Å; L163-F172 HydrophobicContact CD1-CE2 4.28Å; L163-F172 HydrophobicContact CD1-CG 3.66Å; L163-F172 HydrophobicContact CD1-CZ 4.44Å; L163-F172 HydrophobicContact CD2-CB 4.04Å; L163-F172 HydrophobicContact CD2-CD2 4.2Å; L163-F172 HydrophobicContact CD2-CG 4.25Å; L163-F221 WeakPolarHBondContact O-CD2 3.28Å
164L87.2Confident87.3Confident59 Ų5947 Ų4731%0.30928%0.277SS..  trans-98.5-14.8-172.8-60.3-179.8000113H162 E168 W219 G1194H162-L164 VanDerWaalsContact C-N 3.27Å; H162-L164 PolarHBondContact O-N 3.45Å; L164-E168 PolarHBondContact N-OE2 2.75Å; L164-W219 HydrophobicContact CD2-CH2 3.87Å; L164-W219 HydrophobicContact CD2-CZ2 4.5Å; L164-G1194 WeakPolarHBondContact O-CA 3.41Å
165T86.4Confident87.4Confident56 Ų5649.7 Ų49.734%0.34430%0.296SS..SBendtrans-117.3153.5-179.261.90000112.5G167 E168 L169 R1195T165-G167 PolarHBondContact O-N 3.14Å; T165-E168 PolarHBondContact N-OE2 2.85Å; T165-E168 PolarHBondContact O-N 3.38Å; T165-E168 VanDerWaalsContact OG1-CG 3.23Å; T165-E168 WeakPolarHBondContact OG1-CG 3.32Å; T165-E168 PolarHBondContact OG1-N 3.25Å; T165-E168 PolarHBondContact OG1-OE2 3.18Å; T165-L169 PolarHBondContact O-N 3.12Å; T165-R1195 CarbonylContact C-O 3.51Å; T165-R1195 VanDerWaalsContact CA-O 3.28Å; T165-R1195 WeakPolarHBondContact CA-O 3.29Å
166A84.3Confident87.5Confident8 Ų849.7 Ų49.77%0.06630%0.299CS..Hα-helixtrans-56.5-35174.600000112.5L95 S170 R1195L95-A166 HydrophobicContact CD1-CB 3.92Å; A166-S170 WeakPolarHBondContact O-CB 3.29Å; A166-S170 PolarHBondContact O-N 3.26Å; A166-S170 PolarHBondContact O-OG 3.09Å; A166-R1195 PolarHBondContact N-O 3.28Å
167G84Confident87.6Confident41 Ų4154.2 Ų54.242%0.42332%0.32SS..Hα-helixtrans-63.3-50176.400000112.4T165 L169 S170 S171T165-G167 PolarHBondContact O-N 3.14Å; G167-L169 PolarHBondContact O-N 3.46Å; G167-S170 PolarHBondContact O-N 3.33Å; G167-S170 PolarHBondContact O-OG 3.48Å; G167-S171 PolarHBondContact O-N 3Å; G167-S171 VanDerWaalsContact O-N 3.14Å
168E85.4Confident87.7Confident73 Ų7356.2 Ų56.234%0.34133%0.334SS..Hα-helixtrans-61.6-45.4177.9-71.7161.2162.900111.6L163 L164 T165 S170 S171 F172L163-E168 HydrophobicContact CD2-CB 4Å; L164-E168 PolarHBondContact N-OE2 2.75Å; T165-E168 PolarHBondContact N-OE2 2.85Å; T165-E168 PolarHBondContact O-N 3.38Å; T165-E168 VanDerWaalsContact OG1-CG 3.23Å; T165-E168 WeakPolarHBondContact OG1-CG 3.32Å; T165-E168 PolarHBondContact OG1-N 3.25Å; T165-E168 PolarHBondContact OG1-OE2 3.18Å; E168-S170 VanDerWaalsContact C-N 3.3Å; E168-S170 PolarHBondContact O-N 3.05Å; E168-S171 PolarHBondContact O-N 3.2Å; E168-S171 VanDerWaalsContact O-N 3.15Å; E168-S171 PolarHBondContact O-OG 3.3Å; E168-F172 PolarHBondContact O-N 2.89Å; E168-F172 VanDerWaalsContact O-N 3.15Å
169L86.4Confident87.9Confident4 Ų453.5 Ų53.52%0.02131%0.312CS..Hα-helixtrans-57.9-42.5175.4-79.6171.4000112.4L95 W100 L129 L163 T165 G167 S171 F172 F221L95-L169 HydrophobicContact CD2-CB 3.97Å; W100-L169 HydrophobicContact CH2-CD1 3.9Å; W100-L169 HydrophobicContact CZ2-CD1 3.84Å; L129-L169 HydrophobicContact CD1-CD2 4.3Å; L163-L169 HydrophobicContact CB-CD2 3.96Å; L163-L169 HydrophobicContact CB-CG 4.32Å; L163-L169 HydrophobicContact CD1-CD2 4.23Å; T165-L169 PolarHBondContact O-N 3.12Å; G167-L169 PolarHBondContact O-N 3.46Å; L169-S171 VanDerWaalsContact C-N 3.25Å; L169-S171 PolarHBondContact O-N 2.94Å; L169-F172 PolarHBondContact O-N 3.31Å; L169-F221 HydrophobicContact CD1-CB 4.22Å; L169-F221 HydrophobicContact CD1-CD1 4.1Å; L169-F221 HydrophobicContact CD1-CD2 3.38Å; L169-F221 HydrophobicContact CD1-CE1 4.29Å; L169-F221 HydrophobicContact CD1-CE2 3.59Å; L169-F221 HydrophobicContact CD1-CG 3.66Å; L169-F221 HydrophobicContact CD1-CZ 4.06Å; L169-F221 HydrophobicContact CD2-CB 4.41Å; L169-F221 HydrophobicContact CD2-CD2 4.24Å; L169-F221 HydrophobicContact CG-CD2 4.07Å; L169-F221 HydrophobicContact CG-CE2 4.39Å
170S84.6Confident88Confident47 Ų4755.8 Ų55.833%0.32933%0.328SS..Hα-helixtrans-70.5-22.3-179.668.80000114H98 A166 G167 E168H98-S170 PolarHBondContact CE1-OG 3.17Å; H98-S170 WeakPolarHBondContact ND1-CB 3.38Å; H98-S170 PolarHBondContact ND1-OG 3.29Å; A166-S170 WeakPolarHBondContact O-CB 3.29Å; A166-S170 PolarHBondContact O-N 3.26Å; A166-S170 PolarHBondContact O-OG 3.09Å; G167-S170 PolarHBondContact O-N 3.33Å; G167-S170 PolarHBondContact O-OG 3.48Å; E168-S170 VanDerWaalsContact C-N 3.3Å; E168-S170 PolarHBondContact O-N 3.05Å
171S85.4Confident87.9Confident95 Ų9558.1 Ų58.166%0.66434%0.343SS*.Hα-helixtrans-87.3-12.9174.967.40000113.5G167 E168 L169 D173G167-S171 PolarHBondContact O-N 3Å; G167-S171 VanDerWaalsContact O-N 3.14Å; E168-S171 PolarHBondContact O-N 3.2Å; E168-S171 VanDerWaalsContact O-N 3.15Å; E168-S171 PolarHBondContact O-OG 3.3Å; L169-S171 VanDerWaalsContact C-N 3.25Å; L169-S171 PolarHBondContact O-N 2.94Å; S171-D173 PolarHBondContact O-N 3.23Å
172F86.2Confident88Confident52 Ų5257.8 Ų57.823%0.22834%0.34CS..  trans-83.7108-176.3-176.9-103.7000110.7T160 L163 E168 L169 A174 I192 T194T160-F172 HydrophobicContact CG2-CE1 4.17Å; T160-F172 HydrophobicContact CG2-CE2 4.47Å; T160-F172 HydrophobicContact CG2-CZ 3.8Å; L163-F172 HydrophobicContact CD1-CB 4.07Å; L163-F172 HydrophobicContact CD1-CD1 3.85Å; L163-F172 HydrophobicContact CD1-CD2 3.89Å; L163-F172 HydrophobicContact CD1-CE1 4.23Å; L163-F172 HydrophobicContact CD1-CE2 4.28Å; L163-F172 HydrophobicContact CD1-CG 3.66Å; L163-F172 HydrophobicContact CD1-CZ 4.44Å; L163-F172 HydrophobicContact CD2-CB 4.04Å; L163-F172 HydrophobicContact CD2-CD2 4.2Å; L163-F172 HydrophobicContact CD2-CG 4.25Å; E168-F172 PolarHBondContact O-N 2.89Å; E168-F172 VanDerWaalsContact O-N 3.15Å; L169-F172 PolarHBondContact O-N 3.31Å; F172-A174 HydrophobicContact CD1-CB 4.3Å; F172-A174 HydrophobicContact CE1-CB 3.59Å; F172-A174 HydrophobicContact CZ-CB 3.91Å; F172-I192 HydrophobicContact CE1-CD1 4.31Å; F172-T194 HydrophobicContact CE2-CG2 4.33Å; F172-T194 HydrophobicContact CZ-CG2 4.2Å
173D87.9Confident87.8Confident117 Ų11759.7 Ų59.763%0.62634%0.343SS*.  trans-101.4125.7175.7-167.613.1000110.8S171 A195S171-D173 PolarHBondContact O-N 3.23Å; D173-A195 PolarHBondContact O-N 2.71Å; D173-A195 VanDerWaalsContact O-N 3.14Å
174A88.6Confident87.6Confident32 Ų3264.8 Ų64.826%0.26437%0.365SS..EExtended strand (participates in β ladder)trans-155.7149.7-179.500000111.6F172 I192 R193F172-A174 HydrophobicContact CD1-CB 4.3Å; F172-A174 HydrophobicContact CE1-CB 3.59Å; F172-A174 HydrophobicContact CZ-CB 3.91Å; A174-I192 HydrophobicContact CB-CD1 3.96Å; A174-I192 HydrophobicContact CB-CG1 3.84Å; A174-R193 CarbonylContact C-O 3.59Å; A174-R193 WeakPolarHBondContact CA-O 3.45Å; A174-R193 WeakPolarHBondContact CB-O 3.37Å
175V91.7Very high87.3Confident85 Ų8563.5 Ų63.552%0.51536%0.358SS..EExtended strand (participates in β ladder)trans-109.8125.2176.3179.90000109.4R193V175-R193 PolarHBondContact N-O 3.47Å; V175-R193 PolarHBondContact O-N 3.13Å
176V91.8Very high87Confident39 Ų3966.8 Ų66.824%0.23637%0.373CS..EExtended strand (participates in β ladder)trans-101.2120.8175.2178.20000110.1V191 I192 L202 L223V176-V191 WeakPolarHBondContact CA-O 3.49Å; V176-I192 HydrophobicContact CG2-CB 4.09Å; V176-I192 HydrophobicContact CG2-CD1 3.91Å; V176-I192 HydrophobicContact CG2-CG1 3.78Å; V176-L202 HydrophobicContact CG1-CD1 3.91Å; V176-L223 HydrophobicContact CB-CD2 4.25Å; V176-L223 HydrophobicContact CG2-CD2 3.55Å
177E91.8Very high87.1Confident97 Ų9770.8 Ų70.845%0.45339%0.391SS..EExtended strand (participates in β ladder)trans-104.5122.4171.3-63179.1149.900107.9G190 V191 R193E177-G190 CarbonylContact O-C 3.46Å; E177-G190 WeakPolarHBondContact O-CA 3.35Å; E177-V191 PolarHBondContact N-O 2.86Å; E177-V191 PolarHBondContact O-N 2.95Å; E177-R193 IonicContact OE1-NE 2.66Å; E177-R193 IonicContact OE2-CZ 3.75Å; E177-R193 IonicContact OE2-NE 2.62Å; E177-R193 PolarHBondContact OE2-NE 3.28Å; E177-R193 IonicContact OE2-NH2 3.03Å; E177-R193 PolarHBondContact OE2-NH2 2.9Å
178C91.3Very high87.5Confident55 Ų5569.1 Ų69.137%0.37237%0.372SS..EExtended strand (participates in β ladder)trans-133.4164.2179.759.90000111.6F188 V225C178-F188 HydrophobicContact CB-CE2 4.11Å; C178-F188 HydrophobicContact CB-CZ 4.05Å; C178-V225 HydrophobicContact CB-CG1 4.47Å; C178-V225 VanDerWaalsContact SG-CG1 3.59Å
179E91.6Very high87.8Confident48 Ų4870.1 Ų70.122%0.22438%0.383CS..PPolyproline II helixtrans-64.3163.4174.165.1173.817300112.9N182 F188 V189 Y226 K232E179-N182 PolarHBondContact OE1-ND2 3Å; E179-N182 PolarHBondContact OE2-ND2 2.83Å; E179-F188 WeakPolarHBondContact OE1-CA 3.41Å; E179-V189 PolarHBondContact N-O 2.91Å; E179-V189 VanDerWaalsContact N-O 3.13Å; E179-Y226 PolarHBondContact O-OH 3.45Å; E179-K232 IonicContact OE1-NZ 3.75Å
180P90.8Very high88.1Confident104 Ų10470.2 Ų70.268%0.67539%0.385SS*.PPolyproline II helixtrans-64.5151.616826.9-35.5000111.7N182P180-N182 PolarHBondContact O-N 3.17Å
181P87.6Confident88.6Confident51 Ų5170 Ų7033%0.33138%0.382SS..PPolyproline II helixtrans-63.9128.1-175.428.5-36.5000111.4Y226 E230 L235P181-Y226 HydrophobicContact CB-CD1 4.01Å; P181-Y226 HydrophobicContact CB-CE1 3.95Å; P181-Y226 HydrophobicContact CB-CG 4.41Å; P181-Y226 HydrophobicContact CG-CE1 4.48Å; P181-E230 HydrophobicContact CB-CB 4.23Å; P181-E230 WeakPolarHBondContact CB-O 3.45Å; P181-E230 HydrophobicContact CG-CB 4.19Å; P181-E230 HydrophobicContact CG-CG 4.4Å; P181-L235 HydrophobicContact CB-CD1 3.97Å
182N88.7Confident88.9Confident35 Ų3565.7 Ų65.719%0.18735%0.351CS..  trans-124.8168.4-177.468.245.1000112E179 P180 K184 K232 L235E179-N182 PolarHBondContact OE1-ND2 3Å; E179-N182 PolarHBondContact OE2-ND2 2.83Å; P180-N182 PolarHBondContact O-N 3.17Å; N182-K184 PolarHBondContact OD1-N 2.99Å; N182-K184 PolarHBondContact OD1-O 3.07Å; N182-K232 PolarHBondContact OD1-NZ 2.69Å; N182-L235 WeakPolarHBondContact O-CD1 3.36Å
183R83.8Confident89.2Confident152 Ų15268.2 Ų68.257%0.57436%0.359SS*.SBendtrans-83.3-12.4-177-77-177.5178.9154.37.3114.8L185 L235 N236R183-L185 PolarHBondContact O-N 3.48Å; R183-L235 HydrophobicContact CG-CB 3.93Å; R183-L235 PolarHBondContact NE-O 3.41Å; R183-N236 WeakPolarHBondContact CB-OD1 3.44Å; R183-N236 PolarHBondContact O-ND2 3.03Å; R183-N236 PolarHBondContact O-OD1 2.81Å
184K83.6Confident89.2Confident111 Ų11163.4 Ų63.448%0.48333%0.334SS..  trans-83.2119.2-171.9-64.8179.3178.3-177.40109.3N182 D186 E187 K232N182-K184 PolarHBondContact OD1-N 2.99Å; N182-K184 PolarHBondContact OD1-O 3.07Å; K184-D186 VanDerWaalsContact C-N 3.32Å; K184-E187 HydrophobicContact CB-CB 4.15Å; K184-E187 HydrophobicContact CB-CG 4.46Å; K184-E187 HydrophobicContact CD-CB 4.38Å; K184-E187 HydrophobicContact CD-CG 4.1Å; K184-E187 WeakPolarHBondContact CD-OE1 3.28Å; K184-E187 WeakPolarHBondContact CD-OE2 3.32Å; K184-E187 IonicContact NZ-OE1 2.72Å; K184-E187 PolarHBondContact NZ-OE1 2.85Å; K184-E187 IonicContact NZ-OE2 2.74Å; K184-E187 PolarHBondContact NZ-OE2 2.83Å; K184-K232 WeakPolarHBondContact O-CD 3.41Å; K184-K232 PolarHBondContact O-NZ 3Å
185L82.1Confident88.9Confident31 Ų3165.6 Ų65.616%0.16235%0.352CS..SBendtrans-70.4-30.6-177.1-61.5174.2000112.1R183 L209 K232 P789R183-L185 PolarHBondContact O-N 3.48Å; L185-L209 HydrophobicContact CB-CD1 4.32Å; L185-L209 HydrophobicContact CD2-CD1 4.03Å; L185-K232 HydrophobicContact CD2-CB 4.01Å; L185-P789 HydrophobicContact CD1-CG 4.48Å
186D80.3Confident88.4Confident125 Ų12568.2 Ų68.267%0.66836%0.363SS*.SBendtrans-96.5-5.8-172-53.1-44.9000114.6K184 P204K184-D186 VanDerWaalsContact C-N 3.32Å; D186-P204 WeakPolarHBondContact O-CG 3.3Å
187E86.3Confident87.9Confident93 Ų9368.9 Ų68.944%0.43538%0.377SS..  trans-105.1135.5177-72.4179.8-161.200109.3K184 K232K184-E187 HydrophobicContact CB-CB 4.15Å; K184-E187 HydrophobicContact CB-CG 4.46Å; K184-E187 HydrophobicContact CD-CB 4.38Å; K184-E187 HydrophobicContact CD-CG 4.1Å; K184-E187 WeakPolarHBondContact CD-OE1 3.28Å; K184-E187 WeakPolarHBondContact CD-OE2 3.32Å; K184-E187 IonicContact NZ-OE1 2.72Å; K184-E187 PolarHBondContact NZ-OE1 2.85Å; K184-E187 IonicContact NZ-OE2 2.74Å; K184-E187 PolarHBondContact NZ-OE2 2.83Å; E187-K232 PolarHBondContact O-NZ 2.97Å
188F90.8Very high87.7Confident5 Ų568.6 Ų68.62%0.02238%0.378CS..  trans-159.9129.1169.2178.6-110.8000108.2V127 C178 E179 L202 P204 L207 Y226V127-F188 HydrophobicContact CG2-CE1 4.44Å; V127-F188 HydrophobicContact CG2-CZ 4.41Å; C178-F188 HydrophobicContact CB-CE2 4.11Å; C178-F188 HydrophobicContact CB-CZ 4.05Å; E179-F188 WeakPolarHBondContact OE1-CA 3.41Å; F188-L202 HydrophobicContact CD1-CB 4.49Å; F188-L202 HydrophobicContact CE1-CB 3.91Å; F188-P204 HydrophobicContact CB-CG 4.2Å; F188-P204 WeakPolarHBondContact O-CD 3.48Å; F188-L207 HydrophobicContact CB-CD2 3.92Å; F188-L207 HydrophobicContact CD1-CB 4.05Å; F188-L207 HydrophobicContact CD1-CD1 4.47Å; F188-L207 HydrophobicContact CD1-CD2 4.26Å; F188-L207 HydrophobicContact CD1-CG 4.5Å; F188-L207 HydrophobicContact CD2-CD1 4.47Å; F188-L207 HydrophobicContact CD2-CD2 3.78Å; F188-L207 HydrophobicContact CE1-CB 4.46Å; F188-L207 HydrophobicContact CE1-CD1 4.24Å; F188-L207 HydrophobicContact CE2-CD1 4.25Å; F188-L207 HydrophobicContact CE2-CD2 4.34Å; F188-L207 HydrophobicContact CG-CB 4.32Å; F188-L207 HydrophobicContact CG-CD2 3.72Å; F188-L207 HydrophobicContact CG-CG 4.43Å; F188-L207 HydrophobicContact CZ-CD1 4.13Å; F188-Y226 HydrophobicContact CE2-CE2 4.08Å
189V93.4Very high87.6Confident95 Ų9568.4 Ų68.458%0.57638%0.38SS*.  trans-128.2121.1177.9-176.10000108.9E179E179-V189 PolarHBondContact N-O 2.91Å; E179-V189 VanDerWaalsContact N-O 3.13Å
190G92.5Very high87.6Confident5 Ų568.1 Ų68.15%0.05238%0.379CS..EExtended strand (participates in β ladder)trans-151.3174.7172.700000112.6E177 L202E177-G190 CarbonylContact O-C 3.46Å; E177-G190 WeakPolarHBondContact O-CA 3.35Å; G190-L202 PolarHBondContact N-O 3.14Å; G190-L202 PolarHBondContact O-N 3.42Å
191V94.3Very high87.7Confident44 Ų4467.2 Ų67.227%0.26737%0.373SS..EExtended strand (participates in β ladder)trans-140.3129.4176.6178.70000108.1V176 E177 R193 A199 H200V176-V191 WeakPolarHBondContact CA-O 3.49Å; E177-V191 PolarHBondContact N-O 2.86Å; E177-V191 PolarHBondContact O-N 2.95Å; V191-R193 HydrophobicContact CG1-CG 4.25Å; V191-A199 HydrophobicContact CG1-CB 3.62Å; V191-H200 WeakPolarHBondContact CA-O 3.4Å
192I92.8Very high87.9Confident3 Ų364.8 Ų64.82%0.01536%0.357CS..EExtended strand (participates in β ladder)trans-98.5126.6166.4-170.5166.1000109L129 L157 F172 A174 V176 H200 L202L129-I192 HydrophobicContact CD2-CD1 4.41Å; L157-I192 HydrophobicContact CD1-CG2 3.26Å; F172-I192 HydrophobicContact CE1-CD1 4.31Å; A174-I192 HydrophobicContact CB-CD1 3.96Å; A174-I192 HydrophobicContact CB-CG1 3.84Å; V176-I192 HydrophobicContact CG2-CB 4.09Å; V176-I192 HydrophobicContact CG2-CD1 3.91Å; V176-I192 HydrophobicContact CG2-CG1 3.78Å; I192-H200 HydrophobicContact CG2-CB 3.79Å; I192-H200 PolarHBondContact N-O 2.77Å; I192-H200 PolarHBondContact O-N 3.14Å; I192-L202 HydrophobicContact CB-CD1 4.31Å; I192-L202 HydrophobicContact CG2-CD2 4.38Å
193R92.1Very high88Confident106 Ų10667 Ų6740%0.437%0.369SS..EExtended strand (participates in β ladder)trans-104.9114.5174.8-64.4179.2-176.3-90.80.5108.3A174 V175 E177 V191 I198 A199A174-R193 CarbonylContact C-O 3.59Å; A174-R193 WeakPolarHBondContact CA-O 3.45Å; A174-R193 WeakPolarHBondContact CB-O 3.37Å; V175-R193 PolarHBondContact N-O 3.47Å; V175-R193 PolarHBondContact O-N 3.13Å; E177-R193 IonicContact OE1-NE 2.66Å; E177-R193 IonicContact OE2-CZ 3.75Å; E177-R193 IonicContact OE2-NE 2.62Å; E177-R193 PolarHBondContact OE2-NE 3.28Å; E177-R193 IonicContact OE2-NH2 3.03Å; E177-R193 PolarHBondContact OE2-NH2 2.9Å; V191-R193 HydrophobicContact CG1-CG 4.25Å; R193-I198 WeakPolarHBondContact CA-O 3.49Å; R193-A199 HydrophobicContact CG-CB 4.4Å
194T87.4Confident88.2Confident15 Ų1561.4 Ų61.49%0.09235%0.352CS..EExtended strand (participates in β ladder)trans-71.8166.1174.459.10000110.7V159 F172 D196 G197 I198V159-T194 HydrophobicContact CG1-CG2 4.42Å; F172-T194 HydrophobicContact CE2-CG2 4.33Å; F172-T194 HydrophobicContact CZ-CG2 4.2Å; T194-D196 PolarHBondContact O-N 2.71Å; T194-D196 VanDerWaalsContact O-N 3.07Å; T194-G197 WeakPolarHBondContact O-CA 3.46Å; T194-G197 PolarHBondContact O-N 2.79Å; T194-I198 PolarHBondContact N-O 3.4Å; T194-I198 VanDerWaalsContact N-O 3.14Å
195A82.9Confident88.3Confident79 Ų7957.9 Ų57.965%0.65334%0.34SS*.THydrogen-bonded Turntrans-51.4-29.5174.500000113.7D173 G197D173-A195 PolarHBondContact O-N 2.71Å; D173-A195 VanDerWaalsContact O-N 3.14Å; A195-G197 PolarHBondContact O-N 3.39Å
196D80.9Confident88.8Confident140 Ų14057.4 Ų57.475%0.74934%0.337SS*.THydrogen-bonded Turntrans-72.3-3.6175.9-57.1-39.1000113.8T194 I198T194-D196 PolarHBondContact O-N 2.71Å; T194-D196 VanDerWaalsContact O-N 3.07Å; D196-I198 VanDerWaalsContact C-N 3.27Å; D196-I198 HydrophobicContact CB-CD1 4.34Å; D196-I198 HydrophobicContact CB-CG1 4.23Å; D196-I198 PolarHBondContact O-N 3.49Å
197G80.3Confident89.3Confident52 Ų5251.6 Ų51.654%0.53631%0.306SS..  trans79.52.8-177.500000114.6T194 A195 A199T194-G197 WeakPolarHBondContact O-CA 3.46Å; T194-G197 PolarHBondContact O-N 2.79Å; A195-G197 PolarHBondContact O-N 3.39Å; G197-A199 PolarHBondContact O-N 3.25Å
198I88.4Confident89.7Confident92 Ų9247.2 Ų47.247%0.47229%0.286SS..  trans-76.1125.2179.4-56175.7000109.2R193 T194 D196 H200R193-I198 WeakPolarHBondContact CA-O 3.49Å; T194-I198 PolarHBondContact N-O 3.4Å; T194-I198 VanDerWaalsContact N-O 3.14Å; D196-I198 VanDerWaalsContact C-N 3.27Å; D196-I198 HydrophobicContact CB-CD1 4.34Å; D196-I198 HydrophobicContact CB-CG1 4.23Å; D196-I198 PolarHBondContact O-N 3.49Å; I198-H200 WeakPolarHBondContact CG2-NE2 3.46Å
199A90Very high89.7Confident50 Ų5047.4 Ų47.441%0.41329%0.287SS..EExtended strand (participates in β ladder)trans-91.6124.6178.900000110.7V191 R193 G197V191-A199 HydrophobicContact CG1-CB 3.62Å; R193-A199 HydrophobicContact CG-CB 4.4Å; G197-A199 PolarHBondContact O-N 3.25Å
200H91.4Very high89.4Confident43 Ų4342.9 Ų42.920%0.19926%0.26CS..EExtended strand (participates in β ladder)trans-113.2129.5172.4-60.2-77.8000110.1L157 V191 I192 I198L157-H200 HydrophobicContact CD1-CB 4.05Å; L157-H200 HydrophobicContact CD2-CB 4.36Å; V191-H200 WeakPolarHBondContact CA-O 3.4Å; I192-H200 HydrophobicContact CG2-CB 3.79Å; I192-H200 PolarHBondContact N-O 2.77Å; I192-H200 PolarHBondContact O-N 3.14Å; I198-H200 WeakPolarHBondContact CG2-NE2 3.46Å
201P92.9Very high88.9Confident84 Ų8443.2 Ų43.255%0.54526%0.262SS..EExtended strand (participates in β ladder)trans-71.4140.2-179.829.8-34.2000111.2
202L91.9Very high88.7Confident0 Ų041.1 Ų41.10%025%0.25CS..EExtended strand (participates in β ladder)trans-108.6125.4171.6-63.2172.4000109.1V127 L157 V176 F188 G190 I192 Q206V127-L202 HydrophobicContact CG1-CD1 4.13Å; V127-L202 HydrophobicContact CG1-CD2 3.91Å; V127-L202 HydrophobicContact CG2-CD1 4.24Å; L157-L202 HydrophobicContact CD1-CD2 3.76Å; L157-L202 HydrophobicContact CG-CD2 4.22Å; V176-L202 HydrophobicContact CG1-CD1 3.91Å; F188-L202 HydrophobicContact CD1-CB 4.49Å; F188-L202 HydrophobicContact CE1-CB 3.91Å; G190-L202 PolarHBondContact N-O 3.14Å; G190-L202 PolarHBondContact O-N 3.42Å; I192-L202 HydrophobicContact CB-CD1 4.31Å; I192-L202 HydrophobicContact CG2-CD2 4.38Å; L202-Q206 HydrophobicContact CD2-CB 4.02Å; L202-Q206 HydrophobicContact CD2-CG 4.12Å
203N89.5Confident88.5Confident82 Ų8241.6 Ų41.644%0.43925%0.254SS..  trans-116174.9179.3-66.1-11000109.3T205 Q206N203-T205 PolarHBondContact O-N 2.77Å; N203-Q206 PolarHBondContact O-N 3.1Å; N203-Q206 PolarHBondContact O-OE1 3.12Å
204P87.8Confident88.4Confident34 Ų3436.6 Ų36.622%0.22124%0.235CC..G310 helixtrans-54.7-25.8176.2-2432.1000113.7R154 D186 F188 Q206 L207R154-P204 PolarHBondContact NH1-O 2.71Å; D186-P204 WeakPolarHBondContact O-CG 3.3Å; F188-P204 HydrophobicContact CB-CG 4.2Å; F188-P204 WeakPolarHBondContact O-CD 3.48Å; P204-Q206 PolarHBondContact O-N 3.25Å; P204-L207 PolarHBondContact O-N 2.82Å; P204-L207 VanDerWaalsContact O-N 3.15Å
205T87.3Confident88.5Confident38 Ų3838.2 Ų38.223%0.23324%0.241CC..G310 helixtrans-62.6-24.817745.20000114.6R154 Q155 N203 A1175R154-T205 WeakPolarHBondContact CB-O 3.37Å; R154-T205 WeakPolarHBondContact CD-O 3.46Å; Q155-T205 PolarHBondContact N-O 3.36Å; Q155-T205 VanDerWaalsContact N-O 3.16Å; N203-T205 PolarHBondContact O-N 2.77Å; T205-A1175 HydrophobicContact CG2-CB 3.77Å
206Q91.6Very high88.6Confident20 Ų2035.9 Ų35.99%0.09322%0.217CC..G310 helixtrans-97.3-7.8177.1-70.370.234.800112.3V127 L128 Q155 L157 L202 N203 P204V127-Q206 WeakPolarHBondContact CA-O 3.49Å; L128-Q206 PolarHBondContact N-O 2.79Å; Q155-Q206 WeakPolarHBondContact O-CG 3.43Å; Q155-Q206 PolarHBondContact O-NE2 3.12Å; L157-Q206 HydrophobicContact CD2-CG 4.36Å; L157-Q206 HydrophobicContact CG-CG 4.33Å; L202-Q206 HydrophobicContact CD2-CB 4.02Å; L202-Q206 HydrophobicContact CD2-CG 4.12Å; N203-Q206 PolarHBondContact O-N 3.1Å; N203-Q206 PolarHBondContact O-OE1 3.12Å; P204-Q206 PolarHBondContact O-N 3.25Å
207L91.8Very high89Confident4 Ų429.2 Ų29.22%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-96.7130.2-177.9-170.772.8000110.6D125 V127 R154 F188 P204 L209D125-L207 HydrophobicContact CB-CD1 4.47Å; V127-L207 HydrophobicContact CG2-CD1 4.27Å; R154-L207 PolarHBondContact NE-O 3.35Å; F188-L207 HydrophobicContact CB-CD2 3.92Å; F188-L207 HydrophobicContact CD1-CB 4.05Å; F188-L207 HydrophobicContact CD1-CD1 4.47Å; F188-L207 HydrophobicContact CD1-CD2 4.26Å; F188-L207 HydrophobicContact CD1-CG 4.5Å; F188-L207 HydrophobicContact CD2-CD1 4.47Å; F188-L207 HydrophobicContact CD2-CD2 3.78Å; F188-L207 HydrophobicContact CE1-CB 4.46Å; F188-L207 HydrophobicContact CE1-CD1 4.24Å; F188-L207 HydrophobicContact CE2-CD1 4.25Å; F188-L207 HydrophobicContact CE2-CD2 4.34Å; F188-L207 HydrophobicContact CG-CB 4.32Å; F188-L207 HydrophobicContact CG-CD2 3.72Å; F188-L207 HydrophobicContact CG-CG 4.43Å; F188-L207 HydrophobicContact CZ-CD1 4.13Å; P204-L207 PolarHBondContact O-N 2.82Å; P204-L207 VanDerWaalsContact O-N 3.15Å; L207-L209 HydrophobicContact CD2-CD2 3.51Å; L207-L209 HydrophobicContact CG-CD2 3.96Å
208I92.9Very high89.5Confident0 Ų031.2 Ų31.20%018%0.175CC..EExtended strand (participates in β ladder)trans-112.3122.9174.2-60.6177.5000107.1I122 D125 L126 L128 I140 R154 I220I122-I208 HydrophobicContact CB-CG2 4.46Å; I122-I208 HydrophobicContact CD1-CG2 3.15Å; I122-I208 HydrophobicContact CG1-CG2 3.85Å; I122-I208 HydrophobicContact CG2-CG2 4.05Å; D125-I208 CarbonylContact C-O 3.46Å; D125-I208 WeakPolarHBondContact CA-O 3.36Å; L126-I208 HydrophobicContact CB-CB 4.47Å; L126-I208 PolarHBondContact N-O 3.32Å; L126-I208 PolarHBondContact O-N 2.91Å; L128-I208 HydrophobicContact CB-CD1 3.95Å; L128-I208 HydrophobicContact CB-CG1 4.37Å; L128-I208 HydrophobicContact CD1-CD1 3.98Å; L128-I208 HydrophobicContact CD2-CD1 4.29Å; L128-I208 HydrophobicContact CG-CD1 4.3Å; I140-I208 HydrophobicContact CG2-CG2 4.21Å; R154-I208 HydrophobicContact CG-CG1 4.41Å; I208-I220 HydrophobicContact CD1-CD1 3.5Å
209L91.6Very high89.7Confident9 Ų927.1 Ų27.15%0.04715%0.154CC..  trans-89.7149-172.2-59.2177.3000111.6D125 L145 L185 L207 A212 K232D125-L209 WeakPolarHBondContact OD1-CA 3.43Å; L145-L209 HydrophobicContact CD1-CB 3.72Å; L145-L209 HydrophobicContact CD1-CD1 4.08Å; L185-L209 HydrophobicContact CB-CD1 4.32Å; L185-L209 HydrophobicContact CD2-CD1 4.03Å; L207-L209 HydrophobicContact CD2-CD2 3.51Å; L207-L209 HydrophobicContact CG-CD2 3.96Å; L209-A212 WeakPolarHBondContact O-CB 3.48Å; L209-A212 PolarHBondContact O-N 3.44Å; L209-K232 HydrophobicContact CD2-CB 4.45Å; L209-K232 HydrophobicContact CD2-CD 3.92Å; L209-K232 HydrophobicContact CD2-CG 4.36Å
210R87.5Confident89.9Confident1 Ų124.7 Ų24.70%0.00413%0.134CC..THydrogen-bonded Turntrans-53.4141.3167.7-179.8178.3179.1166.97110.5P123 D125 A212 G228 S231 V233P123-R210 WeakPolarHBondContact O-CD 3.42Å; D125-R210 PolarHBondContact OD1-N 3.49Å; R210-A212 VanDerWaalsContact C-N 3.26Å; R210-A212 PolarHBondContact O-N 3.23Å; R210-G228 PolarHBondContact NH1-O 3.11Å; R210-S231 WeakPolarHBondContact CD-OG 3.37Å; R210-V233 WeakPolarHBondContact O-CG2 3.46Å
211G82Confident90Very high11 Ų1122.7 Ų22.711%0.11313%0.125CC..THydrogen-bonded Turntrans83.1-6.6175.500000115.3I122 N144I122-G211 PolarHBondContact O-N 2.75Å; N144-G211 PolarHBondContact ND2-O 2.97Å
212A88.9Confident90.1Very high1 Ų118.8 Ų18.81%0.00810%0.1CC..  trans-73.8159.1158.400000110.1I122 I140 E141 T142 L145 L209 R210I122-A212 HydrophobicContact CD1-CB 3.68Å; I122-A212 WeakPolarHBondContact CD1-O 3.27Å; I122-A212 PolarHBondContact N-O 3.32Å; I140-A212 HydrophobicContact CB-CB 4.49Å; E141-A212 VanDerWaalsContact O-CA 3.25Å; E141-A212 WeakPolarHBondContact O-CA 3.46Å; E141-A212 WeakPolarHBondContact O-CB 3.4Å; T142-A212 HydrophobicContact CG2-CB 4.3Å; L145-A212 HydrophobicContact CD1-CB 4.2Å; L209-A212 WeakPolarHBondContact O-CB 3.48Å; L209-A212 PolarHBondContact O-N 3.44Å; R210-A212 VanDerWaalsContact C-N 3.26Å; R210-A212 PolarHBondContact O-N 3.23Å
213S88.7Confident90.2Very high13 Ų1320.3 Ų20.39%0.09111%0.108CC..EExtended strand (participates in β ladder)trans-114.7143.3174.190.70000110.4I140 E141 K215I140-S213 WeakPolarHBondContact CA-O 3.37Å; E141-S213 WeakPolarHBondContact CB-OG 3.21Å; E141-S213 PolarHBondContact N-O 3.24Å; E141-S213 PolarHBondContact O-N 3.47Å; E141-S213 VanDerWaalsContact O-N 3.09Å; E141-S213 PolarHBondContact OE2-OG 2.83Å; S213-K215 VanDerWaalsContact OG-CE 3.27Å; S213-K215 WeakPolarHBondContact OG-CE 3.43Å
214L91.5Very high90.4Very high0 Ų016.5 Ų16.50%09%0.087CC..EExtended strand (participates in β ladder)trans-80.4121.9176.6-170.869.4000109.5V116 L117 N119 E120 C138 I140 T217 I220V116-L214 HydrophobicContact CB-CD2 4.49Å; V116-L214 HydrophobicContact CG1-CB 4.19Å; V116-L214 HydrophobicContact CG1-CD2 4.24Å; L117-L214 WeakPolarHBondContact O-CD2 3.25Å; N119-L214 WeakPolarHBondContact CA-O 3.41Å; N119-L214 PolarHBondContact N-O 2.67Å; E120-L214 PolarHBondContact O-N 3.35Å; C138-L214 HydrophobicContact CB-CD1 4.15Å; I140-L214 HydrophobicContact CG2-CD1 4.32Å; L214-T217 WeakPolarHBondContact CD1-OG1 3.36Å; L214-T217 WeakPolarHBondContact CD2-OG1 3.33Å; L214-T217 WeakPolarHBondContact CG-OG1 3.17Å; L214-I220 HydrophobicContact CD1-CD1 3.97Å; L214-I220 HydrophobicContact CD1-CG1 4.25Å; L214-I220 HydrophobicContact CD1-CG2 3.88Å; L214-I220 HydrophobicContact CD2-CD1 4.44Å; L214-I220 HydrophobicContact CD2-CG1 3.95Å; L214-I220 HydrophobicContact CD2-CG2 4.18Å
215K88.6Confident90.6Very high50 Ų5015.5 Ų15.522%0.2178%0.08CC..EExtended strand (participates in β ladder)trans-123.6157.5179.7-65.7-58.6-166-1700110.8N119 Y139 E141 L151 S213 T217N119-K215 VanDerWaalsContact OD1-CD 3.22Å; N119-K215 WeakPolarHBondContact OD1-CD 3.22Å; N119-K215 PolarHBondContact OD1-NZ 3.48Å; N119-K215 VanDerWaalsContact OD1-NZ 3.13Å; Y139-K215 WeakPolarHBondContact CB-O 3.39Å; Y139-K215 PolarHBondContact O-N 2.8Å; E141-K215 HydrophobicContact CB-CG 3.8Å; E141-K215 WeakPolarHBondContact OE2-CE 3.23Å; E141-K215 IonicContact OE2-NZ 3.84Å; L151-K215 HydrophobicContact CD1-CB 3.94Å; L151-K215 HydrophobicContact CD2-CB 3.89Å; L151-K215 HydrophobicContact CD2-CG 3.91Å; S213-K215 VanDerWaalsContact OG-CE 3.27Å; S213-K215 WeakPolarHBondContact OG-CE 3.43Å; K215-T217 PolarHBondContact O-N 2.83Å; K215-T217 PolarHBondContact O-OG1 2.59Å
216N86Confident90.8Very high29 Ų2914.1 Ų14.116%0.1557%0.071CC..SBendtrans51.810.8173.8-63.7-13.4000117Y139 L151 Q513 A514Y139-N216 HydrophobicContact CD2-CB 3.64Å; Y139-N216 HydrophobicContact CE2-CB 4.25Å; Y139-N216 HydrophobicContact CG-CB 4.17Å; L151-N216 WeakPolarHBondContact CD1-ND2 3.06Å; N216-Q513 HydrophobicContact CB-CB 4.06Å; N216-Q513 HydrophobicContact CB-CG 4.08Å; N216-Q513 PolarHBondContact O-NE2 2.86Å; N216-Q513 VanDerWaalsContact O-NE2 3.12Å; N216-Q513 PolarHBondContact O-OE1 3.49Å; N216-A514 PolarHBondContact ND2-N 2.8Å; N216-A514 PolarHBondContact ND2-O 3.25Å
217T89.1Confident90.6Very high1 Ų113.5 Ų13.51%0.0067%0.069CC..  trans-130.1139.1175.955.50000110.1S118 E133 C138 Y139 L214 K215S118-T217 WeakPolarHBondContact CA-O 3.4Å; S118-T217 WeakPolarHBondContact CB-O 3.4Å; S118-T217 PolarHBondContact OG-O 3.22Å; E133-T217 HydrophobicContact CG-CG2 3.42Å; E133-T217 VanDerWaalsContact CG-CG2 3.42Å; C138-T217 HydrophobicContact CB-CG2 3.78Å; Y139-T217 HydrophobicContact CD2-CG2 3.97Å; L214-T217 WeakPolarHBondContact CD1-OG1 3.36Å; L214-T217 WeakPolarHBondContact CD2-OG1 3.33Å; L214-T217 WeakPolarHBondContact CG-OG1 3.17Å; K215-T217 PolarHBondContact O-N 2.83Å; K215-T217 PolarHBondContact O-OG1 2.59Å
218K89.3Confident90.2Very high93 Ų9313.6 Ų13.640%0.4047%0.071SC..SBendtrans-68.6-45.7-176.1-69.1-171.6170.6-172.70112.4S118 S132 K1191S118-K218 PolarHBondContact N-O 2.86Å; S132-K218 PolarHBondContact OG-N 3.48Å; K218-K1191 HydrophobicContact CD-CB 4.05Å; K218-K1191 HydrophobicContact CD-CD 4.07Å; K218-K1191 HydrophobicContact CG-CD 4.17Å
219W93Very high89.6Confident6 Ų621.1 Ų21.12%0.02310%0.103CC..EExtended strand (participates in β ladder)trans-156.8158.1178.356.5-96.2000111.7V116 L117 S131 S132 L164 F221 P1192 D1193V116-W219 VanDerWaalsContact O-CA 3.25Å; V116-W219 WeakPolarHBondContact O-CA 3.03Å; L117-W219 HydrophobicContact CD2-CB 4.14Å; S131-W219 PolarHBondContact OG-O 2.98Å; S131-W219 VanDerWaalsContact OG-O 3.14Å; S132-W219 PolarHBondContact N-O 3.39Å; S132-W219 PolarHBondContact OG-N 3.44Å; L164-W219 HydrophobicContact CD2-CH2 3.87Å; L164-W219 HydrophobicContact CD2-CZ2 4.5Å; W219-F221 AromaticContact CE3-CD1 3.98Å; W219-F221 HydrophobicContact CE3-CD1 3.98Å; W219-F221 HydrophobicContact CE3-CD2 4.12Å; W219-F221 AromaticContact CE3-CE1 3.81Å; W219-F221 HydrophobicContact CE3-CE1 3.81Å; W219-F221 AromaticContact CE3-CE2 3.97Å; W219-F221 HydrophobicContact CE3-CE2 3.97Å; W219-F221 HydrophobicContact CE3-CG 4.13Å; W219-F221 AromaticContact CE3-CZ 3.81Å; W219-F221 HydrophobicContact CE3-CZ 3.81Å; W219-F221 HydrophobicContact CH2-CD2 4.16Å; W219-F221 AromaticContact CH2-CE2 3.7Å; W219-F221 HydrophobicContact CH2-CE2 3.7Å; W219-F221 HydrophobicContact CH2-CZ 4.09Å; W219-F221 HydrophobicContact CZ3-CD1 4.12Å; W219-F221 AromaticContact CZ3-CD2 3.41Å; W219-F221 HydrophobicContact CZ3-CD2 3.41Å; W219-F221 VanDerWaalsContact CZ3-CD2 3.41Å; W219-F221 AromaticContact CZ3-CE1 3.99Å; W219-F221 HydrophobicContact CZ3-CE1 3.99Å; W219-F221 AromaticContact CZ3-CE2 3.28Å; W219-F221 HydrophobicContact CZ3-CE2 3.28Å; W219-F221 AromaticContact CZ3-CG 3.84Å; W219-F221 HydrophobicContact CZ3-CG 3.84Å; W219-F221 AromaticContact CZ3-CZ 3.59Å; W219-F221 HydrophobicContact CZ3-CZ 3.59Å; W219-P1192 HydrophobicContact CZ2-CB 4.24Å; W219-P1192 HydrophobicContact CZ2-CG 4.03Å; W219-P1192 PolarHBondContact NE1-O 3.41Å; W219-D1193 VanDerWaalsContact NE1-C 3.3Å; W219-D1193 PolarHBondContact NE1-O 3.48Å
220I94.5Very high89.3Confident0 Ų024.3 Ų24.30%012%0.118CC..EExtended strand (participates in β ladder)trans-131.8152.4168.158.8169000110.4K115 V116 L128 A130 C138 I208 L214K115-I220 WeakPolarHBondContact CA-O 3.29Å; V116-I220 HydrophobicContact CB-CD1 4.13Å; V116-I220 HydrophobicContact CB-CG1 3.76Å; V116-I220 HydrophobicContact CG2-CD1 4.39Å; V116-I220 HydrophobicContact CG2-CG1 4.33Å; V116-I220 PolarHBondContact N-O 3.21Å; V116-I220 VanDerWaalsContact N-O 3.13Å; V116-I220 PolarHBondContact O-N 3.42Å; L128-I220 HydrophobicContact CD1-CB 3.95Å; L128-I220 HydrophobicContact CD1-CG2 3.98Å; A130-I220 WeakPolarHBondContact O-CA 3.35Å; C138-I220 HydrophobicContact CB-CG2 3.64Å; I208-I220 HydrophobicContact CD1-CD1 3.5Å; L214-I220 HydrophobicContact CD1-CD1 3.97Å; L214-I220 HydrophobicContact CD1-CG1 4.25Å; L214-I220 HydrophobicContact CD1-CG2 3.88Å; L214-I220 HydrophobicContact CD2-CD1 4.44Å; L214-I220 HydrophobicContact CD2-CG1 3.95Å; L214-I220 HydrophobicContact CD2-CG2 4.18Å
221F94.4Very high89.3Confident1 Ų124.2 Ų24.20%0.00412%0.118CC..EExtended strand (participates in β ladder)trans-108.2123.8166-60.3-36.4000109.2W100 V114 K115 L129 A130 L163 L169 W219W100-F221 AromaticContact CH2-CD1 3.62Å; W100-F221 HydrophobicContact CH2-CD1 3.62Å; W100-F221 AromaticContact CH2-CE1 3.58Å; W100-F221 HydrophobicContact CH2-CE1 3.58Å; W100-F221 HydrophobicContact CH2-CG 4.48Å; W100-F221 HydrophobicContact CH2-CZ 4.38Å; W100-F221 AromaticContact CZ2-CD1 3.8Å; W100-F221 HydrophobicContact CZ2-CD1 3.8Å; W100-F221 AromaticContact CZ2-CE1 3.25Å; W100-F221 HydrophobicContact CZ2-CE1 3.25Å; W100-F221 AromaticContact CZ2-CZ 3.71Å; W100-F221 HydrophobicContact CZ2-CZ 3.71Å; V114-F221 WeakPolarHBondContact O-CA 3.39Å; K115-F221 HydrophobicContact CB-CD1 3.99Å; K115-F221 HydrophobicContact CB-CE1 4.03Å; K115-F221 HydrophobicContact CD-CE1 3.8Å; K115-F221 HydrophobicContact CG-CD1 4.03Å; K115-F221 HydrophobicContact CG-CE1 3.75Å; L129-F221 PolarHBondContact N-O 3.17Å; A130-F221 HydrophobicContact CB-CB 4.49Å; A130-F221 HydrophobicContact CB-CD2 4.03Å; A130-F221 PolarHBondContact N-O 3.3Å; A130-F221 PolarHBondContact O-N 3.09Å; L163-F221 WeakPolarHBondContact O-CD2 3.28Å; L169-F221 HydrophobicContact CD1-CB 4.22Å; L169-F221 HydrophobicContact CD1-CD1 4.1Å; L169-F221 HydrophobicContact CD1-CD2 3.38Å; L169-F221 HydrophobicContact CD1-CE1 4.29Å; L169-F221 HydrophobicContact CD1-CE2 3.59Å; L169-F221 HydrophobicContact CD1-CG 3.66Å; L169-F221 HydrophobicContact CD1-CZ 4.06Å; L169-F221 HydrophobicContact CD2-CB 4.41Å; L169-F221 HydrophobicContact CD2-CD2 4.24Å; L169-F221 HydrophobicContact CG-CD2 4.07Å; L169-F221 HydrophobicContact CG-CE2 4.39Å; W219-F221 AromaticContact CE3-CD1 3.98Å; W219-F221 HydrophobicContact CE3-CD1 3.98Å; W219-F221 HydrophobicContact CE3-CD2 4.12Å; W219-F221 AromaticContact CE3-CE1 3.81Å; W219-F221 HydrophobicContact CE3-CE1 3.81Å; W219-F221 AromaticContact CE3-CE2 3.97Å; W219-F221 HydrophobicContact CE3-CE2 3.97Å; W219-F221 HydrophobicContact CE3-CG 4.13Å; W219-F221 AromaticContact CE3-CZ 3.81Å; W219-F221 HydrophobicContact CE3-CZ 3.81Å; W219-F221 HydrophobicContact CH2-CD2 4.16Å; W219-F221 AromaticContact CH2-CE2 3.7Å; W219-F221 HydrophobicContact CH2-CE2 3.7Å; W219-F221 HydrophobicContact CH2-CZ 4.09Å; W219-F221 HydrophobicContact CZ3-CD1 4.12Å; W219-F221 AromaticContact CZ3-CD2 3.41Å; W219-F221 HydrophobicContact CZ3-CD2 3.41Å; W219-F221 VanDerWaalsContact CZ3-CD2 3.41Å; W219-F221 AromaticContact CZ3-CE1 3.99Å; W219-F221 HydrophobicContact CZ3-CE1 3.99Å; W219-F221 AromaticContact CZ3-CE2 3.28Å; W219-F221 HydrophobicContact CZ3-CE2 3.28Å; W219-F221 AromaticContact CZ3-CG 3.84Å; W219-F221 HydrophobicContact CZ3-CG 3.84Å; W219-F221 AromaticContact CZ3-CZ 3.59Å; W219-F221 HydrophobicContact CZ3-CZ 3.59Å
222G93.9Very high89.5Confident1 Ų123.7 Ų23.71%0.0111%0.112CC..EExtended strand (participates in β ladder)trans-130.6144.3-178.100000112.6V114 V127V114-G222 PolarHBondContact N-O 3.5Å; V114-G222 PolarHBondContact O-N 3.34Å; V127-G222 CarbonylContact O-C 3.52Å; V127-G222 WeakPolarHBondContact O-CA 3.23Å
223L94.1Very high89.1Confident33 Ų3324 Ų2417%0.17311%0.114CC..EExtended strand (participates in β ladder)trans-93.2127.1171.6179.271.8000110G111 L113 L126 V127 L129 V176 V225G111-L223 WeakPolarHBondContact O-CD1 3.25Å; L113-L223 HydrophobicContact CD2-CB 4.31Å; L113-L223 HydrophobicContact CD2-CD1 3.91Å; L113-L223 HydrophobicContact CG-CD1 4.49Å; L126-L223 CarbonylContact C-O 3.41Å; L126-L223 VanDerWaalsContact CA-O 3.29Å; L126-L223 WeakPolarHBondContact CA-O 3.26Å; V127-L223 HydrophobicContact CB-CB 4.47Å; V127-L223 PolarHBondContact N-O 3.46Å; V127-L223 PolarHBondContact O-N 3.46Å; L129-L223 HydrophobicContact CD1-CB 4.26Å; V176-L223 HydrophobicContact CB-CD2 4.25Å; V176-L223 HydrophobicContact CG2-CD2 3.55Å; L223-V225 PolarHBondContact O-N 3.12Å
224T93.6Very high88.7Confident2 Ų224.5 Ų24.51%0.01212%0.115CC..EExtended strand (participates in β ladder)trans-72.9119.8-179.9-54.20000111.9L108 G111 D112 V114 A124 L126 T227L108-T224 HydrophobicContact CD2-CG2 4.19Å; L108-T224 HydrophobicContact CG-CG2 4.32Å; G111-T224 PolarHBondContact N-O 3.12Å; D112-T224 WeakPolarHBondContact O-CB 3.17Å; D112-T224 PolarHBondContact O-N 2.94Å; D112-T224 PolarHBondContact O-OG1 2.76Å; V114-T224 VanDerWaalsContact CG2-OG1 3.3Å; V114-T224 WeakPolarHBondContact CG2-OG1 3.38Å; A124-T224 HydrophobicContact CB-CG2 3.81Å; L126-T224 HydrophobicContact CD2-CG2 4.35Å; L126-T224 WeakPolarHBondContact CD2-OG1 3.45Å; T224-T227 HydrophobicContact CG2-CG2 3.37Å
225V92.3Very high88.2Confident12 Ų1226.8 Ų26.87%0.07313%0.127CC..EExtended strand (participates in β ladder)trans-106.1-53.9-179.9179.30000112.4V110 D125 V127 C178 L223V110-V225 WeakPolarHBondContact CG1-O 3.38Å; V110-V225 WeakPolarHBondContact CG2-O 3.27Å; D125-V225 PolarHBondContact O-N 3.25Å; V127-V225 HydrophobicContact CB-CG2 4.31Å; V127-V225 HydrophobicContact CG2-CG2 3.5Å; V127-V225 VanDerWaalsContact CG2-CG2 3.5Å; C178-V225 HydrophobicContact CB-CG1 4.47Å; C178-V225 VanDerWaalsContact SG-CG1 3.59Å; L223-V225 PolarHBondContact O-N 3.12Å
226Y91.4Very high87.6Confident9 Ų926.3 Ų26.34%0.03513%0.127CC..EExtended strand (participates in β ladder)trans-120.7131.3178.1-52-58.4000111.6A124 D125 E179 P181 F188A124-Y226 WeakPolarHBondContact CB-O 3.45Å; D125-Y226 HydrophobicContact CB-CD2 4.07Å; D125-Y226 PolarHBondContact N-O 3.2Å; D125-Y226 PolarHBondContact O-N 3.29Å; E179-Y226 PolarHBondContact O-OH 3.45Å; P181-Y226 HydrophobicContact CB-CD1 4.01Å; P181-Y226 HydrophobicContact CB-CE1 3.95Å; P181-Y226 HydrophobicContact CB-CG 4.41Å; P181-Y226 HydrophobicContact CG-CE1 4.48Å; F188-Y226 HydrophobicContact CE2-CE2 4.08Å
227T88.6Confident86.7Confident8 Ų826.9 Ų26.95%0.04913%0.133CC..  trans-118.9159.3-17859.40000112.1L9 V110 A124 T224 K229 E230L9-T227 HydrophobicContact CD1-CG2 3.82Å; V110-T227 HydrophobicContact CG2-CG2 3.89Å; A124-T227 HydrophobicContact CB-CG2 4.22Å; T224-T227 HydrophobicContact CG2-CG2 3.37Å; T227-K229 PolarHBondContact O-N 2.76Å; T227-E230 PolarHBondContact O-N 3.01Å; T227-E230 VanDerWaalsContact O-N 3.07Å
228G81.6Confident85.7Confident6 Ų630.2 Ų30.26%0.06215%0.154CC..G310 helixtrans56.5-125.8171.200000113.8R210 E230 S231 M234R210-G228 PolarHBondContact NH1-O 3.11Å; G228-E230 VanDerWaalsContact C-N 3.26Å; G228-E230 PolarHBondContact O-N 3.02Å; G228-S231 PolarHBondContact O-N 3.06Å; G228-S231 PolarHBondContact O-OG 3.39Å; G228-M234 WeakPolarHBondContact O-CB 3.37Å; G228-M234 VanDerWaalsContact O-CG 3.31Å; G228-M234 WeakPolarHBondContact O-CG 3.3Å
229K80.3Confident84.6Confident157 Ų15730.2 Ų30.268%0.68317%0.171SC*.G310 helixtrans-72.3-14.6-178.7-67.7-174.3178.2-177.20114.3T227 L235T227-K229 PolarHBondContact O-N 2.76Å; K229-L235 WeakPolarHBondContact O-CD2 3.39Å
230E86.2Confident83.4Confident76 Ų7631.7 Ų31.736%0.35519%0.185SC..G310 helixtrans-86.3-17.1179.5-62.7-175169.700112.4L6 P181 T227 G228L6-E230 WeakPolarHBondContact CD2-OE2 3.39Å; P181-E230 HydrophobicContact CB-CB 4.23Å; P181-E230 WeakPolarHBondContact CB-O 3.45Å; P181-E230 HydrophobicContact CG-CB 4.19Å; P181-E230 HydrophobicContact CG-CG 4.4Å; T227-E230 PolarHBondContact O-N 3.01Å; T227-E230 VanDerWaalsContact O-N 3.07Å; G228-E230 VanDerWaalsContact C-N 3.26Å; G228-E230 PolarHBondContact O-N 3.02Å
231S86.7Confident82.3Confident0 Ų034.7 Ų34.70%020%0.204CC..SBendtrans-57.2141.5171.163.30000111.2D125 R210 G228 V233 M234 L235D125-S231 VanDerWaalsContact OD2-CA 3.28Å; D125-S231 WeakPolarHBondContact OD2-CA 3.33Å; R210-S231 WeakPolarHBondContact CD-OG 3.37Å; G228-S231 PolarHBondContact O-N 3.06Å; G228-S231 PolarHBondContact O-OG 3.39Å; S231-V233 PolarHBondContact O-N 2.9Å; S231-V233 VanDerWaalsContact O-N 3.13Å; S231-M234 PolarHBondContact O-N 3.35Å; S231-M234 WeakPolarHBondContact OG-CB 3.24Å; S231-M234 VanDerWaalsContact OG-CG 3.23Å; S231-M234 WeakPolarHBondContact OG-CG 3.34Å; S231-L235 PolarHBondContact O-N 3.41Å
232K86.4Confident81.2Confident0 Ų039 Ų390%023%0.227CC..Hα-helixtrans-58.1-34.8-172.4-64.1-166.2171.1-138.90113.3D125 E179 N182 K184 L185 E187 L209 L235 N236D125-K232 PolarHBondContact OD2-N 2.96Å; E179-K232 IonicContact OE1-NZ 3.75Å; N182-K232 PolarHBondContact OD1-NZ 2.69Å; K184-K232 WeakPolarHBondContact O-CD 3.41Å; K184-K232 PolarHBondContact O-NZ 3Å; L185-K232 HydrophobicContact CD2-CB 4.01Å; E187-K232 PolarHBondContact O-NZ 2.97Å; L209-K232 HydrophobicContact CD2-CB 4.45Å; L209-K232 HydrophobicContact CD2-CD 3.92Å; L209-K232 HydrophobicContact CD2-CG 4.36Å; K232-L235 PolarHBondContact O-N 3.44Å; K232-N236 PolarHBondContact O-N 3.4Å; K232-N236 PolarHBondContact O-ND2 3Å
233V81.9Confident80.5Confident8 Ų840.1 Ų40.15%0.04823%0.231CC..Hα-helixtrans-66.4-43.7177.5-174.50000111.5L145 R210 S231 L235 N236 S237 A815L145-V233 HydrophobicContact CD1-CG2 4.31Å; L145-V233 HydrophobicContact CD2-CB 4.34Å; L145-V233 HydrophobicContact CD2-CG1 3.95Å; L145-V233 HydrophobicContact CD2-CG2 3.41Å; L145-V233 VanDerWaalsContact CD2-CG2 3.41Å; L145-V233 HydrophobicContact CG-CG2 4.47Å; R210-V233 WeakPolarHBondContact O-CG2 3.46Å; S231-V233 PolarHBondContact O-N 2.9Å; S231-V233 VanDerWaalsContact O-N 3.13Å; V233-L235 VanDerWaalsContact C-N 3.34Å; V233-L235 PolarHBondContact O-N 2.88Å; V233-N236 PolarHBondContact O-N 3.21Å; V233-S237 PolarHBondContact O-N 2.87Å; V233-S237 VanDerWaalsContact O-N 3.13Å; V233-A815 HydrophobicContact CG1-CB 3.57Å
234M79.5Confident79.7Confident23 Ų2343 Ų4311%0.11324%0.24CC..Hα-helixtrans-71.9-29.9179.6-65.8-6398.200112.2F11 G228 S231 N236 S237F11-M234 HydrophobicContact CD2-SD 3.76Å; F11-M234 HydrophobicContact CE2-CE 4.32Å; F11-M234 HydrophobicContact CE2-SD 3.81Å; G228-M234 WeakPolarHBondContact O-CB 3.37Å; G228-M234 VanDerWaalsContact O-CG 3.31Å; G228-M234 WeakPolarHBondContact O-CG 3.3Å; S231-M234 PolarHBondContact O-N 3.35Å; S231-M234 WeakPolarHBondContact OG-CB 3.24Å; S231-M234 VanDerWaalsContact OG-CG 3.23Å; S231-M234 WeakPolarHBondContact OG-CG 3.34Å; M234-N236 PolarHBondContact O-N 3.05Å; M234-S237 PolarHBondContact O-N 3.31Å; M234-S237 VanDerWaalsContact O-N 3.13Å; M234-S237 PolarHBondContact O-OG 2.93Å
235L80.6Confident79.2Confident48 Ų4843 Ų4325%0.25124%0.24SC..Hα-helixtrans-64.8-25.5171.9-73.9178.5000113.7P181 N182 R183 K229 S231 K232 V233P181-L235 HydrophobicContact CB-CD1 3.97Å; N182-L235 WeakPolarHBondContact O-CD1 3.36Å; R183-L235 HydrophobicContact CG-CB 3.93Å; R183-L235 PolarHBondContact NE-O 3.41Å; K229-L235 WeakPolarHBondContact O-CD2 3.39Å; S231-L235 PolarHBondContact O-N 3.41Å; K232-L235 PolarHBondContact O-N 3.44Å; V233-L235 VanDerWaalsContact C-N 3.34Å; V233-L235 PolarHBondContact O-N 2.88Å
236N75.3Confident78.8Confident39 Ų3943.6 Ų43.621%0.20924%0.243CC..Hα-helixtrans-87.2-18.9173.1-74.6-43.8000113.2R183 K232 V233 M234R183-N236 WeakPolarHBondContact CB-OD1 3.44Å; R183-N236 PolarHBondContact O-ND2 3.03Å; R183-N236 PolarHBondContact O-OD1 2.81Å; K232-N236 PolarHBondContact O-N 3.4Å; K232-N236 PolarHBondContact O-ND2 3Å; V233-N236 PolarHBondContact O-N 3.21Å; M234-N236 PolarHBondContact O-N 3.05Å
237S69Low78.6Confident41 Ų4143.1 Ų43.129%0.28724%0.242SC..SBendtrans-74.4138.2169.779.60000110.8V233 M234V233-S237 PolarHBondContact O-N 2.87Å; V233-S237 VanDerWaalsContact O-N 3.13Å; M234-S237 PolarHBondContact O-N 3.31Å; M234-S237 VanDerWaalsContact O-N 3.13Å; M234-S237 PolarHBondContact O-OG 2.93Å
238T66.3Low78.4Confident71 Ų7143.4 Ų43.444%0.43624%0.242SC..PPolyproline II helixtrans-100.9156.6171.557.20000111A240 Q822T238-A240 PolarHBondContact O-N 2.99Å; T238-Q822 VanDerWaalsContact O-CD 3.25Å; T238-Q822 PolarHBondContact O-NE2 3.3Å; T238-Q822 PolarHBondContact O-OE1 3.06Å; T238-Q822 PolarHBondContact OG1-OE1 3.39Å
239A67.2Low78.6Confident94 Ų9449.6 Ų49.678%0.77726%0.264SS*.PPolyproline II helixtrans-61.5135169.900000108.8P241A239-P241 VanDerWaalsContact O-CD 3.32Å; A239-P241 WeakPolarHBondContact O-CD 2.88Å
240A67.2Low78.9Confident37 Ų3745.1 Ų45.131%0.30625%0.245SC..PPolyproline II helixtrans-54.8116.2-177.700000110.2T238T238-A240 PolarHBondContact O-N 2.99Å
241P72.6Confident78.9Confident62 Ų6241.8 Ų41.840%0.40323%0.23SC..PPolyproline II helixtrans-72.1150.7-176.927.8-32.7000110.7A239 K243 Q822A239-P241 VanDerWaalsContact O-CD 3.32Å; A239-P241 WeakPolarHBondContact O-CD 2.88Å; P241-K243 HydrophobicContact CG-CG 4.34Å; P241-K243 PolarHBondContact O-N 2.74Å; P241-Q822 HydrophobicContact CG-CB 4.33Å; P241-Q822 WeakPolarHBondContact CG-O 3.33Å
242L71.4Confident78.8Confident91 Ų9143 Ų4348%0.47624%0.237SC..  trans-73.597.3169.1-67.9170.3000109.1
243K77.7Confident78.7Confident26 Ų2647.2 Ų47.211%0.11326%0.263CS..  trans-79.2137.3176.3-61-176.7-179.5-171.60109.8P241 L400 I821 Q822 A824 H825 D843P241-K243 HydrophobicContact CG-CG 4.34Å; P241-K243 PolarHBondContact O-N 2.74Å; K243-L400 HydrophobicContact CB-CD1 3.97Å; K243-L400 HydrophobicContact CB-CD2 4.01Å; K243-L400 HydrophobicContact CD-CD1 3.94Å; K243-I821 PolarHBondContact NZ-O 3.33Å; K243-Q822 WeakPolarHBondContact CE-O 3.21Å; K243-A824 WeakPolarHBondContact CE-O 3.46Å; K243-A824 PolarHBondContact NZ-O 2.96Å; K243-H825 WeakPolarHBondContact CD-O 3.25Å; K243-D843 WeakPolarHBondContact CD-OD2 3.26Å; K243-D843 WeakPolarHBondContact CE-OD2 3.3Å; K243-D843 IonicContact NZ-OD2 3.18Å; K243-D843 PolarHBondContact NZ-OD2 3.4Å
244R76.7Confident79Confident94 Ų9447.5 Ų47.536%0.35526%0.263SS..  trans-122.4134.9176.7-67.9-176.6178.6-174.6-6.1108.9
245S84.4Confident79.3Confident0 Ų047.1 Ų47.10%026%0.261CS..  trans-64.8144.5174.3167.60000111.7V247 E248 R249 E402 E403S245-V247 VanDerWaalsContact C-N 3.3Å; S245-V247 PolarHBondContact OG-N 3.27Å; S245-E248 WeakPolarHBondContact O-CB 3.38Å; S245-E248 PolarHBondContact O-N 2.77Å; S245-R249 PolarHBondContact O-N 3.19Å; S245-R249 VanDerWaalsContact O-N 3.11Å; S245-E402 WeakPolarHBondContact CB-OE1 2.99Å; S245-E402 WeakPolarHBondContact OG-CG 3.23Å; S245-E402 PolarHBondContact OG-OE1 3.24Å; S245-E403 WeakPolarHBondContact CA-OE1 3.36Å; S245-E403 VanDerWaalsContact CB-OE1 3.27Å; S245-E403 WeakPolarHBondContact CB-OE1 3.3Å; S245-E403 PolarHBondContact OG-OE1 3.26Å
246T84.5Confident79.4Confident25 Ų2550.1 Ų50.115%0.15328%0.277CS..Hα-helixtrans-55.6-40.7166.363.90000112.1E248 R249 Q250 E403 Q406 V807T246-E248 VanDerWaalsContact C-N 3.32Å; T246-E248 PolarHBondContact O-N 3.49Å; T246-R249 WeakPolarHBondContact O-CB 3.27Å; T246-R249 PolarHBondContact O-N 3.49Å; T246-R249 VanDerWaalsContact O-N 3.16Å; T246-Q250 PolarHBondContact O-N 3.05Å; T246-E403 WeakPolarHBondContact CB-OE1 3.39Å; T246-E403 PolarHBondContact N-OE1 3.35Å; T246-E403 PolarHBondContact OG1-OE1 3.26Å; T246-Q406 PolarHBondContact OG1-OE1 3.07Å; T246-V807 HydrophobicContact CG2-CG2 4.14Å
247V86.8Confident79.9Confident0 Ų050.4 Ų50.40%028%0.281CS..Hα-helixtrans-63-38.8176.2-179.60000110.9S245 Q250 T251 E402 Y864 L867 I871 F948S245-V247 VanDerWaalsContact C-N 3.3Å; S245-V247 PolarHBondContact OG-N 3.27Å; V247-Q250 PolarHBondContact O-N 3.48Å; V247-T251 WeakPolarHBondContact O-CB 3.13Å; V247-T251 PolarHBondContact O-N 2.89Å; V247-T251 PolarHBondContact O-OG1 3.24Å; V247-E402 HydrophobicContact CB-CG 4.08Å; V247-E402 HydrophobicContact CG2-CB 4.48Å; V247-E402 HydrophobicContact CG2-CG 3.91Å; V247-Y864 HydrophobicContact CG2-CD2 4.21Å; V247-Y864 HydrophobicContact CG2-CE2 3.93Å; V247-L867 HydrophobicContact CG1-CD2 4.4Å; V247-I871 HydrophobicContact CG1-CD1 3.57Å; V247-F948 HydrophobicContact CG1-CD1 4.42Å; V247-F948 HydrophobicContact CG1-CE1 4.1Å
248E84.5Confident80.6Confident14 Ų1448.5 Ų48.57%0.06527%0.268CS..Hα-helixtrans-66.4-39.8174.5-174.2169.1154.800111.7R32 S245 T246 T251 N252 R371R32-E248 IonicContact CZ-OE1 3.55Å; R32-E248 IonicContact NE-OE1 2.78Å; R32-E248 PolarHBondContact NE-OE1 3.25Å; R32-E248 IonicContact NH2-OE1 3.16Å; S245-E248 WeakPolarHBondContact O-CB 3.38Å; S245-E248 PolarHBondContact O-N 2.77Å; T246-E248 VanDerWaalsContact C-N 3.32Å; T246-E248 PolarHBondContact O-N 3.49Å; E248-T251 PolarHBondContact O-N 2.85Å; E248-N252 PolarHBondContact O-N 3Å; E248-N252 PolarHBondContact O-ND2 2.8Å; E248-R371 IonicContact OE2-CZ 3.8Å; E248-R371 IonicContact OE2-NH1 3.72Å; E248-R371 PolarHBondContact OE2-NH1 3.47Å; E248-R371 IonicContact OE2-NH2 3.11Å
249R84.5Confident81.3Confident136 Ų13648.2 Ų48.251%0.51326%0.261SS..Hα-helixtrans-61-47.1174.4-69.6178.6179.7179.5-2.1111.5S245 T246 N252 T253S245-R249 PolarHBondContact O-N 3.19Å; S245-R249 VanDerWaalsContact O-N 3.11Å; T246-R249 WeakPolarHBondContact O-CB 3.27Å; T246-R249 PolarHBondContact O-N 3.49Å; T246-R249 VanDerWaalsContact O-N 3.16Å; R249-N252 WeakPolarHBondContact O-CB 3.34Å; R249-N252 PolarHBondContact O-N 3.34Å; R249-T253 PolarHBondContact O-N 3.41Å; R249-T253 VanDerWaalsContact O-N 3.13Å; R249-T253 PolarHBondContact O-OG1 3.47Å
250Q86.6Confident81.9Confident63 Ų6345.6 Ų45.629%0.29424%0.243SC..Hα-helixtrans-65.6-39.8177.7-72.2178.5-1100112.1T246 V247 N252 T253 Y254 F948T246-Q250 PolarHBondContact O-N 3.05Å; V247-Q250 PolarHBondContact O-N 3.48Å; Q250-N252 VanDerWaalsContact C-N 3.32Å; Q250-N252 PolarHBondContact O-N 3.35Å; Q250-T253 WeakPolarHBondContact O-CA 3.24Å; Q250-T253 WeakPolarHBondContact O-CB 3.5Å; Q250-T253 PolarHBondContact O-N 3.34Å; Q250-T253 VanDerWaalsContact O-N 3.09Å; Q250-Y254 PolarHBondContact O-N 3.06Å; Q250-F948 HydrophobicContact CB-CD1 4.36Å; Q250-F948 HydrophobicContact CB-CE1 3.74Å
251T87Confident82.7Confident6 Ų646.5 Ų46.54%0.03724%0.244CC..Hα-helixtrans-60.2-42.3174.5-58.70000111.2V247 E248 T253 Y254 I255 L363 I871 F875V247-T251 WeakPolarHBondContact O-CB 3.13Å; V247-T251 PolarHBondContact O-N 2.89Å; V247-T251 PolarHBondContact O-OG1 3.24Å; E248-T251 PolarHBondContact O-N 2.85Å; T251-T253 VanDerWaalsContact C-N 3.31Å; T251-T253 PolarHBondContact O-N 3.21Å; T251-Y254 PolarHBondContact O-N 2.87Å; T251-Y254 VanDerWaalsContact O-N 3.14Å; T251-I255 HydrophobicContact CG2-CD1 4.13Å; T251-I255 HydrophobicContact CG2-CG1 4.5Å; T251-I255 WeakPolarHBondContact O-CG1 3.44Å; T251-I255 PolarHBondContact O-N 2.97Å; T251-L363 HydrophobicContact CG2-CD2 4.14Å; T251-I871 HydrophobicContact CG2-CG2 4.13Å; T251-F875 HydrophobicContact CG2-CE2 4.25Å; T251-F875 HydrophobicContact CG2-CZ 4.06Å
252N83.8Confident83.3Confident25 Ų2543.5 Ų43.513%0.13423%0.225CC..Hα-helixtrans-60.8-39173.9-75.7-45.5000112.1E248 R249 Q250 I255 L256E248-N252 PolarHBondContact O-N 3Å; E248-N252 PolarHBondContact O-ND2 2.8Å; R249-N252 WeakPolarHBondContact O-CB 3.34Å; R249-N252 PolarHBondContact O-N 3.34Å; Q250-N252 VanDerWaalsContact C-N 3.32Å; Q250-N252 PolarHBondContact O-N 3.35Å; N252-I255 PolarHBondContact O-N 2.98Å; N252-L256 PolarHBondContact O-N 3.03Å
253T85.6Confident83.6Confident89 Ų8942.9 Ų42.955%0.54622%0.222SC..Hα-helixtrans-62.9-40.4173-53.20000112R249 Q250 T251 L256 C257R249-T253 PolarHBondContact O-N 3.41Å; R249-T253 VanDerWaalsContact O-N 3.13Å; R249-T253 PolarHBondContact O-OG1 3.47Å; Q250-T253 WeakPolarHBondContact O-CA 3.24Å; Q250-T253 WeakPolarHBondContact O-CB 3.5Å; Q250-T253 PolarHBondContact O-N 3.34Å; Q250-T253 VanDerWaalsContact O-N 3.09Å; T251-T253 VanDerWaalsContact C-N 3.31Å; T251-T253 PolarHBondContact O-N 3.21Å; T253-L256 WeakPolarHBondContact O-CB 3.24Å; T253-L256 PolarHBondContact O-N 3.07Å; T253-C257 PolarHBondContact O-N 3.26Å
254Y88.5Confident84Confident14 Ų1448.1 Ų48.16%0.05525%0.245CC..Hα-helixtrans-70.3-35.4176.5-60.9-24.8000113.1Q250 T251 L256 C257 L258 F948 P950 F953Q250-Y254 PolarHBondContact O-N 3.06Å; T251-Y254 PolarHBondContact O-N 2.87Å; T251-Y254 VanDerWaalsContact O-N 3.14Å; Y254-L256 VanDerWaalsContact C-N 3.33Å; Y254-C257 WeakPolarHBondContact O-CB 3.48Å; Y254-C257 PolarHBondContact O-N 2.92Å; Y254-L258 PolarHBondContact O-N 3.06Å; Y254-F948 HydrophobicContact CD2-CE1 4.18Å; Y254-F948 HydrophobicContact CD2-CE2 4.2Å; Y254-F948 AromaticContact CD2-CZ 3.63Å; Y254-F948 HydrophobicContact CD2-CZ 3.63Å; Y254-F948 HydrophobicContact CE2-CD1 4.23Å; Y254-F948 HydrophobicContact CE2-CD2 4.45Å; Y254-F948 AromaticContact CE2-CE1 3.58Å; Y254-F948 HydrophobicContact CE2-CE1 3.58Å; Y254-F948 AromaticContact CE2-CE2 3.84Å; Y254-F948 HydrophobicContact CE2-CE2 3.84Å; Y254-F948 AromaticContact CE2-CZ 3.36Å; Y254-F948 HydrophobicContact CE2-CZ 3.36Å; Y254-P950 HydrophobicContact CE1-CB 4.3Å; Y254-P950 HydrophobicContact CE1-CG 4.2Å; Y254-P950 WeakPolarHBondContact OH-CD 3.16Å; Y254-P950 VanDerWaalsContact OH-N 3.11Å; Y254-F953 HydrophobicContact CD1-CD1 4.1Å; Y254-F953 HydrophobicContact CD1-CE1 4.45Å; Y254-F953 HydrophobicContact CD1-CG 4.15Å; Y254-F953 HydrophobicContact CD2-CB 4.39Å; Y254-F953 AromaticContact CD2-CD2 3.89Å; Y254-F953 HydrophobicContact CD2-CD2 3.89Å; Y254-F953 HydrophobicContact CD2-CE2 4.41Å; Y254-F953 HydrophobicContact CD2-CG 4.11Å; Y254-F953 HydrophobicContact CE1-CB 4.4Å; Y254-F953 HydrophobicContact CE1-CG 4.42Å; Y254-F953 HydrophobicContact CE2-CB 4.14Å; Y254-F953 HydrophobicContact CE2-CD2 4.45Å; Y254-F953 HydrophobicContact CE2-CG 4.35Å; Y254-F953 HydrophobicContact CG-CD1 4.28Å; Y254-F953 AromaticContact CG-CD2 3.95Å; Y254-F953 HydrophobicContact CG-CD2 3.95Å; Y254-F953 HydrophobicContact CG-CE1 4.47Å; Y254-F953 HydrophobicContact CG-CE2 4.16Å; Y254-F953 HydrophobicContact CG-CG 4.02Å; Y254-F953 HydrophobicContact CG-CZ 4.41Å
255I84.6Confident84.3Confident15 Ų1544.5 Ų44.58%0.07723%0.232CC..Hα-helixtrans-60.8-44.1170.7-69.1168.8000110.1A34 T251 N252 C257 L258 F259 V359 F875A34-I255 HydrophobicContact CB-CD1 4.33Å; T251-I255 HydrophobicContact CG2-CD1 4.13Å; T251-I255 HydrophobicContact CG2-CG1 4.5Å; T251-I255 WeakPolarHBondContact O-CG1 3.44Å; T251-I255 PolarHBondContact O-N 2.97Å; N252-I255 PolarHBondContact O-N 2.98Å; I255-C257 VanDerWaalsContact C-N 3.3Å; I255-C257 PolarHBondContact O-N 3.48Å; I255-L258 PolarHBondContact O-N 3.41Å; I255-F259 WeakPolarHBondContact O-CB 3.46Å; I255-F259 PolarHBondContact O-N 3.43Å; I255-V359 HydrophobicContact CG2-CG1 3.92Å; I255-F875 HydrophobicContact CG1-CE1 3.99Å; I255-F875 HydrophobicContact CG1-CZ 3.81Å
256L83.1Confident84Confident110 Ų11044.8 Ų44.858%0.57623%0.234SC*.Hα-helixtrans-62.1-38.7176.1-169.276.4000111.8N252 T253 Y254 F259 G260N252-L256 PolarHBondContact O-N 3.03Å; T253-L256 WeakPolarHBondContact O-CB 3.24Å; T253-L256 PolarHBondContact O-N 3.07Å; Y254-L256 VanDerWaalsContact C-N 3.33Å; L256-F259 WeakPolarHBondContact O-CB 3.29Å; L256-F259 PolarHBondContact O-N 2.85Å; L256-G260 PolarHBondContact O-N 3.05Å
257C86.1Confident83.7Confident45 Ų4549.2 Ų49.230%0.30425%0.251SS..Hα-helixtrans-62.7-46.4174.5-177.20000111.9T253 Y254 I255 F259 G260 V261T253-C257 PolarHBondContact O-N 3.26Å; Y254-C257 WeakPolarHBondContact O-CB 3.48Å; Y254-C257 PolarHBondContact O-N 2.92Å; I255-C257 VanDerWaalsContact C-N 3.3Å; I255-C257 PolarHBondContact O-N 3.48Å; C257-F259 VanDerWaalsContact C-N 3.31Å; C257-F259 PolarHBondContact O-N 3.28Å; C257-G260 PolarHBondContact O-N 3.41Å; C257-G260 VanDerWaalsContact O-N 3.13Å; C257-V261 PolarHBondContact O-N 2.83Å; C257-V261 VanDerWaalsContact O-N 3.08Å
258L83.2Confident83.7Confident2 Ų253.6 Ų53.61%0.0127%0.27CS..Hα-helixtrans-64.2-35.5175-72.4171.4000112.5Y254 I255 G260 V261 L262 M358 F875 V879 F953 I957Y254-L258 PolarHBondContact O-N 3.06Å; I255-L258 PolarHBondContact O-N 3.41Å; L258-G260 VanDerWaalsContact C-N 3.3Å; L258-G260 PolarHBondContact O-N 3.42Å; L258-V261 PolarHBondContact O-N 3.42Å; L258-L262 WeakPolarHBondContact O-CB 3.43Å; L258-L262 PolarHBondContact O-N 3.14Å; L258-M358 HydrophobicContact CD2-CE 3.55Å; L258-F875 HydrophobicContact CD1-CD1 3.19Å; L258-F875 HydrophobicContact CD1-CE1 3.44Å; L258-F875 VanDerWaalsContact CD1-CE1 3.44Å; L258-F875 HydrophobicContact CD1-CG 4.03Å; L258-F875 HydrophobicContact CD1-CZ 4.42Å; L258-V879 HydrophobicContact CD2-CG2 4.12Å; L258-F953 HydrophobicContact CD1-CZ 4.22Å; L258-F953 HydrophobicContact CD2-CZ 4.23Å; L258-F953 HydrophobicContact CG-CZ 3.99Å; L258-I957 HydrophobicContact CD2-CD1 3.94Å
259F80.8Confident83.4Confident65 Ų6553 Ų5329%0.28527%0.268SS..Hα-helixtrans-62.2-38.7172.6-179.7-101.6000111.7F37 I255 L256 C257 L262 L263 F352F37-F259 AromaticContact CD2-CD2 3.78Å; F37-F259 HydrophobicContact CD2-CD2 3.78Å; F37-F259 AromaticContact CD2-CE2 3.64Å; F37-F259 HydrophobicContact CD2-CE2 3.64Å; F37-F259 AromaticContact CE2-CD2 3.71Å; F37-F259 HydrophobicContact CE2-CD2 3.71Å; F37-F259 AromaticContact CE2-CE2 3.64Å; F37-F259 HydrophobicContact CE2-CE2 3.64Å; I255-F259 WeakPolarHBondContact O-CB 3.46Å; I255-F259 PolarHBondContact O-N 3.43Å; L256-F259 WeakPolarHBondContact O-CB 3.29Å; L256-F259 PolarHBondContact O-N 2.85Å; C257-F259 VanDerWaalsContact C-N 3.31Å; C257-F259 PolarHBondContact O-N 3.28Å; F259-L262 HydrophobicContact CD2-CD2 4.16Å; F259-L262 WeakPolarHBondContact O-CB 3.49Å; F259-L262 PolarHBondContact O-N 2.92Å; F259-L263 HydrophobicContact CD1-CD1 4.05Å; F259-L263 HydrophobicContact CD1-CG 4.45Å; F259-L263 HydrophobicContact CE1-CD1 3.49Å; F259-L263 VanDerWaalsContact CE1-CD1 3.49Å; F259-L263 HydrophobicContact CE1-CG 4.03Å; F259-L263 HydrophobicContact CZ-CD1 3.92Å; F259-L263 HydrophobicContact CZ-CD2 4.18Å; F259-L263 HydrophobicContact CZ-CG 4.08Å; F259-L263 WeakPolarHBondContact O-CG 3.22Å; F259-L263 PolarHBondContact O-N 3.03Å; F259-F352 HydrophobicContact CE2-CE2 4.25Å; F259-F352 HydrophobicContact CE2-CZ 4.06Å
260G81.3Confident83Confident38 Ų3848.1 Ų48.139%0.39225%0.25SS..Hα-helixtrans-60.9-43.6170.900000113L256 C257 L258 L263 F264L256-G260 PolarHBondContact O-N 3.05Å; C257-G260 PolarHBondContact O-N 3.41Å; C257-G260 VanDerWaalsContact O-N 3.13Å; L258-G260 VanDerWaalsContact C-N 3.3Å; L258-G260 PolarHBondContact O-N 3.42Å; G260-L263 PolarHBondContact O-N 2.92Å; G260-F264 PolarHBondContact O-N 2.84Å
261V83.9Confident82.6Confident56 Ų5648.6 Ų48.634%0.33925%0.254SS..Hα-helixtrans-64.6-41175.3178.70000111.4C257 L258 F264 L265 M358C257-V261 PolarHBondContact O-N 2.83Å; C257-V261 VanDerWaalsContact O-N 3.08Å; L258-V261 PolarHBondContact O-N 3.42Å; V261-F264 WeakPolarHBondContact O-CB 3.26Å; V261-F264 PolarHBondContact O-N 2.75Å; V261-L265 HydrophobicContact CG1-CD1 4.17Å; V261-L265 HydrophobicContact CG1-CG 4.33Å; V261-L265 WeakPolarHBondContact O-CG 3.21Å; V261-L265 PolarHBondContact O-N 2.66Å; V261-M358 HydrophobicContact CB-CE 4.05Å; V261-M358 HydrophobicContact CG1-CE 3.63Å; V261-M358 HydrophobicContact CG1-SD 4.45Å
262L83.5Confident82.4Confident0 Ų049.2 Ų49.20%026%0.26CS..Hα-helixtrans-56.8-52.5174.4170.165.1000110.8F37 L258 F259 F264 L265 T266 F352 Y355F37-L262 HydrophobicContact CE2-CD2 3.75Å; F37-L262 HydrophobicContact CZ-CD2 3.59Å; L258-L262 WeakPolarHBondContact O-CB 3.43Å; L258-L262 PolarHBondContact O-N 3.14Å; F259-L262 HydrophobicContact CD2-CD2 4.16Å; F259-L262 WeakPolarHBondContact O-CB 3.49Å; F259-L262 PolarHBondContact O-N 2.92Å; L262-F264 VanDerWaalsContact C-N 3.29Å; L262-F264 PolarHBondContact O-N 3.35Å; L262-L265 PolarHBondContact O-N 2.73Å; L262-T266 HydrophobicContact CD1-CG2 3.87Å; L262-T266 HydrophobicContact CG-CG2 4.37Å; L262-T266 WeakPolarHBondContact O-CG2 3.41Å; L262-T266 PolarHBondContact O-N 3.5Å; L262-T266 PolarHBondContact O-OG1 2.69Å; L262-F352 HydrophobicContact CD2-CE2 3.94Å; L262-F352 HydrophobicContact CD2-CZ 4.47Å; L262-F352 HydrophobicContact CG-CD2 4.45Å; L262-F352 HydrophobicContact CG-CE2 4.21Å; L262-Y355 VanDerWaalsContact CD1-C 3.46Å; L262-Y355 HydrophobicContact CD1-CG 4.44Å; L262-Y355 WeakPolarHBondContact CD1-O 3.32Å
263L79.1Confident82.1Confident77 Ų7748.1 Ų48.140%0.40325%0.254SS..Hα-helixtrans-56.9-44.1177.8-73178.1000111.7F259 G260 T266 F267 F352F259-L263 HydrophobicContact CD1-CD1 4.05Å; F259-L263 HydrophobicContact CD1-CG 4.45Å; F259-L263 HydrophobicContact CE1-CD1 3.49Å; F259-L263 VanDerWaalsContact CE1-CD1 3.49Å; F259-L263 HydrophobicContact CE1-CG 4.03Å; F259-L263 HydrophobicContact CZ-CD1 3.92Å; F259-L263 HydrophobicContact CZ-CD2 4.18Å; F259-L263 HydrophobicContact CZ-CG 4.08Å; F259-L263 WeakPolarHBondContact O-CG 3.22Å; F259-L263 PolarHBondContact O-N 3.03Å; G260-L263 PolarHBondContact O-N 2.92Å; L263-T266 WeakPolarHBondContact CA-OG1 3.27Å; L263-T266 PolarHBondContact O-N 3.47Å; L263-T266 PolarHBondContact O-OG1 2.83Å; L263-F267 WeakPolarHBondContact O-CB 3.15Å; L263-F267 PolarHBondContact O-N 2.73Å; L263-F352 HydrophobicContact CD2-CD2 4.36Å; L263-F352 HydrophobicContact CD2-CE2 3.83Å
264F86.1Confident81.5Confident137 Ų13746.8 Ų46.860%0.60124%0.243SC*.Hα-helixtrans-59.1-49.9176.1173.8-97.5000112.4G260 V261 L262 T266 F267 F268G260-F264 PolarHBondContact O-N 2.84Å; V261-F264 WeakPolarHBondContact O-CB 3.26Å; V261-F264 PolarHBondContact O-N 2.75Å; L262-F264 VanDerWaalsContact C-N 3.29Å; L262-F264 PolarHBondContact O-N 3.35Å; F264-T266 VanDerWaalsContact C-N 3.3Å; F264-T266 PolarHBondContact O-N 2.99Å; F264-F267 PolarHBondContact O-N 3.27Å; F264-F268 WeakPolarHBondContact O-CB 3.46Å; F264-F268 PolarHBondContact O-N 3.41Å
265L82.7Confident81.3Confident18 Ų1849 Ų499%0.09426%0.258CS..Hα-helixtrans-61.7-39.8179.2-69.7177.5000111.7V261 L262 F268 T269 Y355 M358 L883 F886V261-L265 HydrophobicContact CG1-CD1 4.17Å; V261-L265 HydrophobicContact CG1-CG 4.33Å; V261-L265 WeakPolarHBondContact O-CG 3.21Å; V261-L265 PolarHBondContact O-N 2.66Å; L262-L265 PolarHBondContact O-N 2.73Å; L265-F268 PolarHBondContact O-N 2.72Å; L265-T269 WeakPolarHBondContact O-CG2 3.13Å; L265-T269 PolarHBondContact O-N 3.12Å; L265-T269 PolarHBondContact O-OG1 3.2Å; L265-Y355 HydrophobicContact CB-CD2 4.31Å; L265-Y355 HydrophobicContact CB-CE2 4.43Å; L265-M358 HydrophobicContact CD1-SD 4.28Å; L265-L883 HydrophobicContact CD1-CD1 4.27Å; L265-F886 HydrophobicContact CD2-CD2 3.99Å; L265-F886 HydrophobicContact CD2-CE2 3.79Å; L265-F886 HydrophobicContact CD2-CZ 4.17Å
266T78.5Confident81.1Confident5 Ų553.4 Ų53.43%0.03127%0.274CS..Hα-helixtrans-68.4-39.3-179.661.40000112.5L262 L263 F264 T269 F270 F352 Y355L262-T266 HydrophobicContact CD1-CG2 3.87Å; L262-T266 HydrophobicContact CG-CG2 4.37Å; L262-T266 WeakPolarHBondContact O-CG2 3.41Å; L262-T266 PolarHBondContact O-N 3.5Å; L262-T266 PolarHBondContact O-OG1 2.69Å; L263-T266 WeakPolarHBondContact CA-OG1 3.27Å; L263-T266 PolarHBondContact O-N 3.47Å; L263-T266 PolarHBondContact O-OG1 2.83Å; F264-T266 VanDerWaalsContact C-N 3.3Å; F264-T266 PolarHBondContact O-N 2.99Å; T266-T269 PolarHBondContact O-OG1 3.43Å; T266-T269 VanDerWaalsContact O-OG1 3.12Å; T266-F270 VanDerWaalsContact O-CB 3.25Å; T266-F270 WeakPolarHBondContact O-CB 3.36Å; T266-F270 PolarHBondContact O-N 3.34Å; T266-F352 HydrophobicContact CG2-CB 4.19Å; T266-F352 HydrophobicContact CG2-CD2 3.96Å; T266-Y355 HydrophobicContact CG2-CD2 3.77Å
267F78.4Confident80.7Confident119 Ų11949.6 Ų49.652%0.52226%0.255SS..Hα-helixtrans-69.3-39.6175-173.2-107.6000111.4L263 F264 F270 I271L263-F267 WeakPolarHBondContact O-CB 3.15Å; L263-F267 PolarHBondContact O-N 2.73Å; F264-F267 PolarHBondContact O-N 3.27Å; F267-F270 HydrophobicContact CD2-CD1 4.42Å; F267-F270 WeakPolarHBondContact O-CB 3.3Å; F267-F270 PolarHBondContact O-N 3.12Å; F267-I271 HydrophobicContact CD1-CD1 3.75Å; F267-I271 HydrophobicContact CE1-CD1 3.22Å; F267-I271 HydrophobicContact CE1-CG1 4.27Å; F267-I271 HydrophobicContact CE2-CD1 4.27Å; F267-I271 HydrophobicContact CG-CD1 4.48Å; F267-I271 HydrophobicContact CZ-CD1 3.53Å; F267-I271 HydrophobicContact CZ-CG1 4.3Å; F267-I271 WeakPolarHBondContact O-CG1 3.47Å; F267-I271 PolarHBondContact O-N 3.44Å
268F85.9Confident80.3Confident91 Ų9150.8 Ų50.840%0.39926%0.264SS..Hα-helixtrans-61.8-48.2175.3178.7-91.6000111.8F264 L265 F270 I271 A272 F886 F894F264-F268 WeakPolarHBondContact O-CB 3.46Å; F264-F268 PolarHBondContact O-N 3.41Å; L265-F268 PolarHBondContact O-N 2.72Å; F268-F270 VanDerWaalsContact C-N 3.31Å; F268-F270 PolarHBondContact O-N 3.03Å; F268-I271 PolarHBondContact O-N 3.35Å; F268-A272 HydrophobicContact CE1-CB 4.48Å; F268-A272 VanDerWaalsContact O-CB 3.26Å; F268-A272 WeakPolarHBondContact O-CB 3.38Å; F268-A272 PolarHBondContact O-N 3.27Å; F268-F886 AromaticContact CD1-CE2 3.79Å; F268-F886 HydrophobicContact CD1-CE2 3.79Å; F268-F886 HydrophobicContact CD1-CZ 4.04Å; F268-F886 HydrophobicContact CE1-CE2 4.06Å; F268-F886 AromaticContact CE1-CZ 3.93Å; F268-F886 HydrophobicContact CE1-CZ 3.93Å; F268-F894 HydrophobicContact CD1-CE1 4.5Å; F268-F894 HydrophobicContact CE1-CE1 4.08Å; F268-F894 HydrophobicContact CE1-CZ 4.15Å
269T77.9Confident80.3Confident1 Ų160.1 Ų60.11%0.00630%0.299CS..Hα-helixtrans-67.1-34.5178.854.90000112.7L265 T266 A272 N273 S351 Y355 F886 F894L265-T269 WeakPolarHBondContact O-CG2 3.13Å; L265-T269 PolarHBondContact O-N 3.12Å; L265-T269 PolarHBondContact O-OG1 3.2Å; T266-T269 PolarHBondContact O-OG1 3.43Å; T266-T269 VanDerWaalsContact O-OG1 3.12Å; T269-A272 PolarHBondContact O-N 3.17Å; T269-N273 VanDerWaalsContact O-CB 3.23Å; T269-N273 WeakPolarHBondContact O-CB 3.43Å; T269-N273 PolarHBondContact O-N 2.87Å; T269-S351 VanDerWaalsContact OG1-CB 3.26Å; T269-S351 WeakPolarHBondContact OG1-CB 3.12Å; T269-S351 PolarHBondContact OG1-OG 3.31Å; T269-Y355 HydrophobicContact CG2-CE2 3.66Å; T269-Y355 WeakPolarHBondContact CG2-OH 3.44Å; T269-F886 HydrophobicContact CG2-CD2 4.04Å; T269-F886 HydrophobicContact CG2-CE2 4.03Å; T269-F894 HydrophobicContact CG2-CD1 3.6Å; T269-F894 HydrophobicContact CG2-CE1 3.99Å
270F76.2Confident80.4Confident34 Ų3458.3 Ų58.315%0.14929%0.292CS..Hα-helixtrans-59.3-52.4172.1167.8-109.7000111.9T266 F267 F268 A272 N273 L274 A344 L348T266-F270 VanDerWaalsContact O-CB 3.25Å; T266-F270 WeakPolarHBondContact O-CB 3.36Å; T266-F270 PolarHBondContact O-N 3.34Å; F267-F270 HydrophobicContact CD2-CD1 4.42Å; F267-F270 WeakPolarHBondContact O-CB 3.3Å; F267-F270 PolarHBondContact O-N 3.12Å; F268-F270 VanDerWaalsContact C-N 3.31Å; F268-F270 PolarHBondContact O-N 3.03Å; F270-A272 PolarHBondContact O-N 2.8Å; F270-N273 PolarHBondContact O-N 3.48Å; F270-L274 HydrophobicContact CD1-CD1 4.49Å; F270-L274 HydrophobicContact CD2-CD1 4.48Å; F270-L274 HydrophobicContact CE1-CD1 3.84Å; F270-L274 HydrophobicContact CE2-CD1 3.81Å; F270-L274 HydrophobicContact CE2-CD2 4.46Å; F270-L274 HydrophobicContact CE2-CG 4.12Å; F270-L274 HydrophobicContact CZ-CD1 3.47Å; F270-L274 VanDerWaalsContact CZ-CD1 3.47Å; F270-L274 HydrophobicContact CZ-CG 4.28Å; F270-L274 WeakPolarHBondContact O-CG 3.45Å; F270-L274 PolarHBondContact O-N 3.32Å; F270-L274 VanDerWaalsContact O-N 3.07Å; F270-A344 HydrophobicContact CE2-CB 3.72Å; F270-A344 WeakPolarHBondContact CE2-O 3.39Å; F270-A344 HydrophobicContact CZ-CB 4.09Å; F270-L348 HydrophobicContact CB-CD1 3.81Å; F270-L348 HydrophobicContact CD1-CD1 4.29Å; F270-L348 HydrophobicContact CD2-CB 3.9Å; F270-L348 HydrophobicContact CD2-CD1 4.39Å; F270-L348 HydrophobicContact CE2-CB 4.35Å; F270-L348 HydrophobicContact CG-CB 4.28Å; F270-L348 HydrophobicContact CG-CD1 3.9Å
271I79.3Confident79.9Confident73 Ų7363.3 Ų63.337%0.37431%0.306SS..Hα-helixtrans-62.1-45.4177.5-69.4175.8000110.9F267 F268 N273 L274 V275F267-I271 HydrophobicContact CD1-CD1 3.75Å; F267-I271 HydrophobicContact CE1-CD1 3.22Å; F267-I271 HydrophobicContact CE1-CG1 4.27Å; F267-I271 HydrophobicContact CE2-CD1 4.27Å; F267-I271 HydrophobicContact CG-CD1 4.48Å; F267-I271 HydrophobicContact CZ-CD1 3.53Å; F267-I271 HydrophobicContact CZ-CG1 4.3Å; F267-I271 WeakPolarHBondContact O-CG1 3.47Å; F267-I271 PolarHBondContact O-N 3.44Å; F268-I271 PolarHBondContact O-N 3.35Å; I271-N273 VanDerWaalsContact C-N 3.31Å; I271-N273 PolarHBondContact O-N 2.54Å; I271-L274 PolarHBondContact O-N 3.05Å; I271-V275 HydrophobicContact CG2-CG2 4.32Å; I271-V275 WeakPolarHBondContact O-CG2 3.25Å; I271-V275 PolarHBondContact O-N 2.75Å
272A82.7Confident79.2Confident19 Ų1970.5 Ų70.516%0.15733%0.332CS..Hα-helixtrans-64.2-37.3-17800000112F268 T269 F270 W276 F894F268-A272 HydrophobicContact CE1-CB 4.48Å; F268-A272 VanDerWaalsContact O-CB 3.26Å; F268-A272 WeakPolarHBondContact O-CB 3.38Å; F268-A272 PolarHBondContact O-N 3.27Å; T269-A272 PolarHBondContact O-N 3.17Å; F270-A272 PolarHBondContact O-N 2.8Å; A272-W276 WeakPolarHBondContact O-CB 3.37Å; A272-W276 PolarHBondContact O-N 2.87Å; A272-F894 HydrophobicContact CB-CD1 4.06Å; A272-F894 HydrophobicContact CB-CD2 3.47Å; A272-F894 VanDerWaalsContact CB-CD2 3.47Å; A272-F894 HydrophobicContact CB-CE1 3.99Å; A272-F894 HydrophobicContact CB-CE2 3.41Å; A272-F894 VanDerWaalsContact CB-CE2 3.41Å; A272-F894 HydrophobicContact CB-CG 3.8Å; A272-F894 HydrophobicContact CB-CZ 3.66Å
273N76.7Confident78.9Confident2 Ų277.7 Ų77.71%0.01136%0.364CS..Hα-helixtrans-62.9-45172.1178.4-99000111.8T269 F270 I271 V275 W276 T277 G893 F894T269-N273 VanDerWaalsContact O-CB 3.23Å; T269-N273 WeakPolarHBondContact O-CB 3.43Å; T269-N273 PolarHBondContact O-N 2.87Å; F270-N273 PolarHBondContact O-N 3.48Å; I271-N273 VanDerWaalsContact C-N 3.31Å; I271-N273 PolarHBondContact O-N 2.54Å; N273-V275 PolarHBondContact O-N 3.35Å; N273-W276 PolarHBondContact O-N 2.93Å; N273-T277 VanDerWaalsContact O-CB 3.24Å; N273-T277 WeakPolarHBondContact O-CB 3.21Å; N273-T277 PolarHBondContact O-N 3.46Å; N273-T277 PolarHBondContact O-OG1 3.18Å; N273-G893 PolarHBondContact ND2-O 3.07Å; N273-F894 HydrophobicContact CB-CB 3.73Å; N273-F894 PolarHBondContact ND2-O 3.18Å
274L73.7Confident78.6Confident61 Ų6175.9 Ų75.932%0.31935%0.353SS..Hα-helixtrans-60.3-46.8177.3-71.7179.2000111.9F270 I271 T277 S278 A344F270-L274 HydrophobicContact CD1-CD1 4.49Å; F270-L274 HydrophobicContact CD2-CD1 4.48Å; F270-L274 HydrophobicContact CE1-CD1 3.84Å; F270-L274 HydrophobicContact CE2-CD1 3.81Å; F270-L274 HydrophobicContact CE2-CD2 4.46Å; F270-L274 HydrophobicContact CE2-CG 4.12Å; F270-L274 HydrophobicContact CZ-CD1 3.47Å; F270-L274 VanDerWaalsContact CZ-CD1 3.47Å; F270-L274 HydrophobicContact CZ-CG 4.28Å; F270-L274 WeakPolarHBondContact O-CG 3.45Å; F270-L274 PolarHBondContact O-N 3.32Å; F270-L274 VanDerWaalsContact O-N 3.07Å; I271-L274 PolarHBondContact O-N 3.05Å; L274-T277 PolarHBondContact O-N 3.14Å; L274-S278 WeakPolarHBondContact O-CB 3.43Å; L274-S278 PolarHBondContact O-N 3.13Å; L274-A344 HydrophobicContact CD2-CB 4.17Å
275V82.9Confident78.2Confident60 Ų6078.7 Ų78.736%0.36436%0.36SS..Hα-helixtrans-62.8-48.8178.1174.60000110.5I271 N273 T277 S278 W279I271-V275 HydrophobicContact CG2-CG2 4.32Å; I271-V275 WeakPolarHBondContact O-CG2 3.25Å; I271-V275 PolarHBondContact O-N 2.75Å; N273-V275 PolarHBondContact O-N 3.35Å; V275-T277 PolarHBondContact O-N 2.98Å; V275-S278 PolarHBondContact O-N 2.86Å; V275-S278 PolarHBondContact O-OG 2.91Å; V275-W279 HydrophobicContact CG1-CD2 4.12Å; V275-W279 HydrophobicContact CG1-CE3 4.48Å; V275-W279 HydrophobicContact CG1-CH2 4.18Å; V275-W279 HydrophobicContact CG1-CZ2 3.77Å; V275-W279 PolarHBondContact O-N 3.04Å; V275-W279 VanDerWaalsContact O-N 3.12Å
276W81.6Confident77.9Confident108 Ų10885.4 Ų85.441%0.40939%0.386SS..Hα-helixtrans-60.5-43.7179.7-178-92.2000112.6A272 N273 W279 N280A272-W276 WeakPolarHBondContact O-CB 3.37Å; A272-W276 PolarHBondContact O-N 2.87Å; N273-W276 PolarHBondContact O-N 2.93Å; W276-W279 PolarHBondContact O-N 3.4Å; W276-N280 WeakPolarHBondContact CZ2-ND2 3.46Å; W276-N280 PolarHBondContact NE1-ND2 2.85Å; W276-N280 WeakPolarHBondContact O-CB 3.47Å; W276-N280 PolarHBondContact O-N 3.21Å
277T74.9Confident77.5Confident31 Ų3190.4 Ų90.419%0.1941%0.412CS..Hα-helixtrans-64.5-43.1178.7-55.30000110.3N273 L274 V275 W279 N280 E281 Y343N273-T277 VanDerWaalsContact O-CB 3.24Å; N273-T277 WeakPolarHBondContact O-CB 3.21Å; N273-T277 PolarHBondContact O-N 3.46Å; N273-T277 PolarHBondContact O-OG1 3.18Å; L274-T277 PolarHBondContact O-N 3.14Å; V275-T277 PolarHBondContact O-N 2.98Å; T277-W279 VanDerWaalsContact C-N 3.27Å; T277-W279 PolarHBondContact O-N 3.32Å; T277-N280 PolarHBondContact O-N 2.95Å; T277-E281 WeakPolarHBondContact O-CA 3.42Å; T277-E281 WeakPolarHBondContact O-CB 3.35Å; T277-E281 PolarHBondContact O-N 3.13Å; T277-Y343 HydrophobicContact CG2-CE1 4.49Å
278S76.6Confident76.4Confident70 Ų7092.3 Ų92.349%0.4942%0.422SS..Hα-helixtrans-60.9-34.217778.30000113.3L274 V275L274-S278 WeakPolarHBondContact O-CB 3.43Å; L274-S278 PolarHBondContact O-N 3.13Å; V275-S278 PolarHBondContact O-N 2.86Å; V275-S278 PolarHBondContact O-OG 2.91Å
279W84.5Confident74.8Confident197 Ų19796.5 Ų96.575%0.74644%0.443SS*.Hα-helixtrans-81.3-31-179.2-69.60.8000113.2V275 W276 T277V275-W279 HydrophobicContact CG1-CD2 4.12Å; V275-W279 HydrophobicContact CG1-CE3 4.48Å; V275-W279 HydrophobicContact CG1-CH2 4.18Å; V275-W279 HydrophobicContact CG1-CZ2 3.77Å; V275-W279 PolarHBondContact O-N 3.04Å; V275-W279 VanDerWaalsContact O-N 3.12Å; W276-W279 PolarHBondContact O-N 3.4Å; T277-W279 VanDerWaalsContact C-N 3.27Å; T277-W279 PolarHBondContact O-N 3.32Å
280N81.7Confident72.9Confident27 Ų27103.6 Ų103.614%0.14448%0.481CS..Hα-helixtrans-109.84-173-72.6-45.6000113.8W276 T277 K282 K283 M284W276-N280 WeakPolarHBondContact CZ2-ND2 3.46Å; W276-N280 PolarHBondContact NE1-ND2 2.85Å; W276-N280 WeakPolarHBondContact O-CB 3.47Å; W276-N280 PolarHBondContact O-N 3.21Å; T277-N280 PolarHBondContact O-N 2.95Å; N280-K282 PolarHBondContact O-N 3.16Å; N280-K282 VanDerWaalsContact O-N 3.13Å; N280-K283 WeakPolarHBondContact O-CA 3.09Å; N280-K283 WeakPolarHBondContact O-CB 3.16Å; N280-K283 PolarHBondContact O-N 3.46Å; N280-M284 HydrophobicContact CB-CE 3.58Å; N280-M284 WeakPolarHBondContact O-CG 3.4Å; N280-M284 PolarHBondContact O-N 3.02Å
281E70.3Confident71.2Confident143 Ų143107.7 Ų107.767%0.66851%0.508SS*.G310 helixtrans-46.1-47.6-179-169.7179.6-179.600112.3T277 K283 M284T277-E281 WeakPolarHBondContact O-CA 3.42Å; T277-E281 WeakPolarHBondContact O-CB 3.35Å; T277-E281 PolarHBondContact O-N 3.13Å; E281-K283 PolarHBondContact O-N 3.13Å; E281-M284 PolarHBondContact O-N 2.98Å; E281-M284 VanDerWaalsContact O-N 3.13Å
282K69.8Low69.2Low208 Ų208110.3 Ų110.390%0.90452%0.523SS*.G310 helixtrans-64.5-21.6179.3-64.8-176.2-179.7179.10114.4N280N280-K282 PolarHBondContact O-N 3.16Å; N280-K282 VanDerWaalsContact O-N 3.13Å
283K76.5Confident67.1Low151 Ų151115.3 Ų115.366%0.65755%0.552SS**G310 helixtrans-90-13.2178.7-63.2179.5-176.7166.80112.7N280 E281 W285N280-K283 WeakPolarHBondContact O-CA 3.09Å; N280-K283 WeakPolarHBondContact O-CB 3.16Å; N280-K283 PolarHBondContact O-N 3.46Å; E281-K283 PolarHBondContact O-N 3.13Å; K283-W285 VanDerWaalsContact C-N 3.35Å; K283-W285 PolarHBondContact O-N 2.96Å
284M73.2Confident65.4Low38 Ų38126.4 Ų126.419%0.18759%0.594CS.*  trans-9435.8-172.6-65.5-174-165.400113.5N280 E281 Y286 L287N280-M284 HydrophobicContact CB-CE 3.58Å; N280-M284 WeakPolarHBondContact O-CG 3.4Å; N280-M284 PolarHBondContact O-N 3.02Å; E281-M284 PolarHBondContact O-N 2.98Å; E281-M284 VanDerWaalsContact O-N 3.13Å; M284-Y286 PolarHBondContact O-N 2.85Å; M284-Y286 VanDerWaalsContact O-N 3.14Å; M284-L287 HydrophobicContact CB-CB 4.45Å; M284-L287 HydrophobicContact CB-CD1 4.11Å; M284-L287 HydrophobicContact CG-CD1 4.15Å; M284-L287 PolarHBondContact O-N 3.49Å; M284-L287 HydrophobicContact SD-CD1 4.01Å
285W77.8Confident64.3Low197 Ų197125.1 Ų125.175%0.74659%0.589SS**G310 helixtrans-59-29.7-176.369.9-91.8000113.5K283 L287 Q288K283-W285 VanDerWaalsContact C-N 3.35Å; K283-W285 PolarHBondContact O-N 2.96Å; W285-L287 VanDerWaalsContact C-N 3.27Å; W285-L287 PolarHBondContact O-N 3.5Å; W285-Q288 PolarHBondContact O-N 3.23Å
286Y77.7Confident62.8Low159 Ų159126.6 Ų126.662%0.62460%0.595SS**G310 helixtrans-76.2-10.4179.362.9-88.6000114M284M284-Y286 PolarHBondContact O-N 2.85Å; M284-Y286 VanDerWaalsContact O-N 3.14Å
287L69.9Low61Low110 Ų110127.6 Ų127.658%0.57661%0.608SS**G310 helixtrans-98.1-1.2176.6-68.2168.3000112.6M284 W285 E289M284-L287 HydrophobicContact CB-CB 4.45Å; M284-L287 HydrophobicContact CB-CD1 4.11Å; M284-L287 HydrophobicContact CG-CD1 4.15Å; M284-L287 PolarHBondContact O-N 3.49Å; M284-L287 HydrophobicContact SD-CD1 4.01Å; W285-L287 VanDerWaalsContact C-N 3.27Å; W285-L287 PolarHBondContact O-N 3.5Å; L287-E289 PolarHBondContact O-N 3.07Å
288Q54.9Low59.8Low158 Ų158135.2 Ų135.274%0.73863%0.633SS**  trans-65.7104.9177.3-82.1179.6-44.200110.4W285 N290W285-Q288 PolarHBondContact O-N 3.23Å; Q288-N290 PolarHBondContact O-N 3.24Å
289E51.4Low58.5Low179 Ų179138 Ų13884%0.83663%0.633SS**  trans-62.3121.6165-86.1-176.2150.600109.3L287 V291L287-E289 PolarHBondContact O-N 3.07Å; E289-V291 PolarHBondContact O-N 2.69Å
290N37.9Very low56.6Low151 Ų151133.3 Ų133.381%0.80762%0.622SS**  trans-55.3110.8163-82.8-33.6000108.2Q288 D292Q288-N290 PolarHBondContact O-N 3.24Å; N290-D292 PolarHBondContact O-N 3.14Å
291V40.4Very low55.1Low120 Ų120136.7 Ų136.773%0.72764%0.64SS**  trans-68.884.3173.3-179.20000108.1E289 T293E289-V291 PolarHBondContact O-N 2.69Å; V291-T293 PolarHBondContact O-N 3.25Å
292D37.5Very low54.1Low128 Ų128135 Ų13568%0.68464%0.635SS**  trans-67104.3166.8-90.5-19.9000108.4N290 R294 S295N290-D292 PolarHBondContact O-N 3.14Å; D292-R294 PolarHBondContact O-N 3.25Å; D292-S295 PolarHBondContact O-N 3Å; D292-S295 PolarHBondContact O-OG 3.15Å
293T39.8Very low53Low123 Ų123131.2 Ų131.276%0.75562%0.619SS**THydrogen-bonded Turntrans-63.110.5-178.3-8.90000113.8V291V291-T293 PolarHBondContact O-N 3.25Å
294R40.8Very low51.7Low236 Ų236127.7 Ų127.789%0.89161%0.607SS**THydrogen-bonded Turntrans-96.2-6.9179.2-99-179.9177.5170.80.3114.4D292D292-R294 PolarHBondContact O-N 3.25Å
295S51.3Low50.4Low33 Ų33129.2 Ų129.223%0.23162%0.618CS.*SBendtrans-78.3-18-176.952.90000115.1D292 L297 R298 R299D292-S295 PolarHBondContact O-N 3Å; D292-S295 PolarHBondContact O-OG 3.15Å; S295-L297 PolarHBondContact O-N 2.74Å; S295-R298 PolarHBondContact O-N 2.93Å; S295-R299 WeakPolarHBondContact O-CB 3.09Å; S295-R299 WeakPolarHBondContact O-CG 3.38Å; S295-R299 PolarHBondContact O-N 3Å; S295-R299 PolarHBondContact OG-NH1 3.15Å; S295-R299 PolarHBondContact OG-NH2 3.34Å; S295-R299 VanDerWaalsContact OG-NH2 3.13Å
296D49.8Very low49Very low91 Ų91123 Ų12349%0.48760%0.604SS.*Hα-helixtrans-72.9-29.7-169.6-64-21.7000113.1R299 L300D296-R299 IonicContact OD1-CZ 2.62Å; D296-R299 IonicContact OD1-NH1 2.88Å; D296-R299 PolarHBondContact OD1-NH1 2.8Å; D296-L300 VanDerWaalsContact O-CB 3.3Å; D296-L300 WeakPolarHBondContact O-CB 3.48Å; D296-L300 PolarHBondContact O-N 2.69Å
297L44.8Very low47.4Very low130 Ų130120.6 Ų120.668%0.68160%0.601SS**Hα-helixtrans-69.5-35.4172.9-128.791.7000112.2S295 L301S295-L297 PolarHBondContact O-N 2.74Å; L297-L301 WeakPolarHBondContact O-CB 3.46Å; L297-L301 WeakPolarHBondContact O-CD1 3.38Å; L297-L301 PolarHBondContact O-N 3.37Å
298R49.5Very low46.5Very low191 Ų191121.1 Ų121.172%0.72160%0.603SS**Hα-helixtrans-78.3-34.8179.6-154165.8-159.8-148.61.5111.9S295 L300 L301 D302S295-R298 PolarHBondContact O-N 2.93Å; R298-L300 VanDerWaalsContact C-N 3.33Å; R298-L301 PolarHBondContact O-N 3.17Å; R298-D302 WeakPolarHBondContact O-CB 3.16Å; R298-D302 VanDerWaalsContact O-CG 3.31Å; R298-D302 PolarHBondContact O-N 2.9Å
299R48.6Very low46.3Very low127 Ų127119.7 Ų119.748%0.47960%0.6SS.*Hα-helixtrans-64.8-35.7169.8-69.5169-174.6162.1-0.5112.1S295 D296 F303S295-R299 WeakPolarHBondContact O-CB 3.09Å; S295-R299 WeakPolarHBondContact O-CG 3.38Å; S295-R299 PolarHBondContact O-N 3Å; S295-R299 PolarHBondContact OG-NH1 3.15Å; S295-R299 PolarHBondContact OG-NH2 3.34Å; S295-R299 VanDerWaalsContact OG-NH2 3.13Å; D296-R299 IonicContact OD1-CZ 2.62Å; D296-R299 IonicContact OD1-NH1 2.88Å; D296-R299 PolarHBondContact OD1-NH1 2.8Å; R299-F303 VanDerWaalsContact O-CB 3.23Å; R299-F303 WeakPolarHBondContact O-CB 3.48Å; R299-F303 PolarHBondContact O-N 2.86Å
300L45.8Very low46.4Very low99 Ų99118.6 Ų118.652%0.51859%0.589SS.*Hα-helixtrans-68.2-42171.7-169.179.8000111.4D296 R298 F303 I304D296-L300 VanDerWaalsContact O-CB 3.3Å; D296-L300 WeakPolarHBondContact O-CB 3.48Å; D296-L300 PolarHBondContact O-N 2.69Å; R298-L300 VanDerWaalsContact C-N 3.33Å; L300-F303 PolarHBondContact O-N 2.99Å; L300-I304 HydrophobicContact CD2-CD1 4.21Å; L300-I304 HydrophobicContact CG-CD1 3.84Å; L300-I304 WeakPolarHBondContact O-CB 3.42Å; L300-I304 WeakPolarHBondContact O-CD1 3.35Å; L300-I304 WeakPolarHBondContact O-CG1 3.1Å; L300-I304 PolarHBondContact O-N 3Å
301L50Low46.7Very low99 Ų99117.3 Ų117.352%0.51858%0.582SS.*Hα-helixtrans-67.3-38.9176-97.2138.5000113L297 R298 I304 T305L297-L301 WeakPolarHBondContact O-CB 3.46Å; L297-L301 WeakPolarHBondContact O-CD1 3.38Å; L297-L301 PolarHBondContact O-N 3.37Å; R298-L301 PolarHBondContact O-N 3.17Å; L301-I304 PolarHBondContact O-N 3.26Å; L301-T305 VanDerWaalsContact O-CB 3.27Å; L301-T305 WeakPolarHBondContact O-CB 3.38Å; L301-T305 PolarHBondContact O-N 3.31Å; L301-T305 PolarHBondContact O-OG1 3.37Å
302D49.9Very low47Very low106 Ų106117.6 Ų117.657%0.56759%0.585SS**Hα-helixtrans-69.1-35.8174.7-70.6-22.9000111.4R298 C306R298-D302 WeakPolarHBondContact O-CB 3.16Å; R298-D302 VanDerWaalsContact O-CG 3.31Å; R298-D302 PolarHBondContact O-N 2.9Å; D302-C306 WeakPolarHBondContact O-CB 3.3Å; D302-C306 PolarHBondContact O-N 3.05Å
303F45.7Very low47.3Very low130 Ų130117.2 Ų117.257%0.5758%0.581SS**Hα-helixtrans-67.3-45.6172178.1-103.3000112.2R299 L300 T305 C306 L307R299-F303 VanDerWaalsContact O-CB 3.23Å; R299-F303 WeakPolarHBondContact O-CB 3.48Å; R299-F303 PolarHBondContact O-N 2.86Å; L300-F303 PolarHBondContact O-N 2.99Å; F303-T305 VanDerWaalsContact C-N 3.33Å; F303-T305 PolarHBondContact O-N 2.94Å; F303-C306 PolarHBondContact O-N 3Å; F303-L307 HydrophobicContact CD1-CD1 4.32Å; F303-L307 HydrophobicContact CE1-CD1 3.61Å; F303-L307 HydrophobicContact CZ-CD1 3.73Å; F303-L307 WeakPolarHBondContact O-CB 3.35Å; F303-L307 PolarHBondContact O-N 3.22Å
304I49.4Very low47.4Very low77 Ų77117 Ų11740%0.39557%0.574SS.*Hα-helixtrans-64.2-37.7175.9-70.5167.3000110.7L300 L301 L307 I308L300-I304 HydrophobicContact CD2-CD1 4.21Å; L300-I304 HydrophobicContact CG-CD1 3.84Å; L300-I304 WeakPolarHBondContact O-CB 3.42Å; L300-I304 WeakPolarHBondContact O-CD1 3.35Å; L300-I304 WeakPolarHBondContact O-CG1 3.1Å; L300-I304 PolarHBondContact O-N 3Å; L301-I304 PolarHBondContact O-N 3.26Å; I304-L307 PolarHBondContact O-N 2.97Å; I304-I308 HydrophobicContact CG2-CD1 3.76Å; I304-I308 HydrophobicContact CG2-CG1 4.48Å; I304-I308 WeakPolarHBondContact O-CD1 3.4Å; I304-I308 WeakPolarHBondContact O-CG1 3.37Å; I304-I308 PolarHBondContact O-N 2.86Å
305T45.6Very low47.3Very low70 Ų70110.6 Ų110.643%0.42956%0.563SS.*Hα-helixtrans-67.8-37.6176.1-54.30000111.6L301 F303 L309L301-T305 VanDerWaalsContact O-CB 3.27Å; L301-T305 WeakPolarHBondContact O-CB 3.38Å; L301-T305 PolarHBondContact O-N 3.31Å; L301-T305 PolarHBondContact O-OG1 3.37Å; F303-T305 VanDerWaalsContact C-N 3.33Å; F303-T305 PolarHBondContact O-N 2.94Å; T305-L309 HydrophobicContact CG2-CD1 4.26Å; T305-L309 PolarHBondContact O-N 3.28Å; T305-L309 VanDerWaalsContact O-N 3.17Å
306C49.4Very low46.8Very low66 Ų66117.1 Ų117.145%0.44659%0.594SS.*Hα-helixtrans-68.3-38.2173.3-145.80000112D302 F303 I308 L309 Y310D302-C306 WeakPolarHBondContact O-CB 3.3Å; D302-C306 PolarHBondContact O-N 3.05Å; F303-C306 PolarHBondContact O-N 3Å; C306-I308 PolarHBondContact O-N 3.31Å; C306-L309 PolarHBondContact O-N 3.08Å; C306-Y310 WeakPolarHBondContact O-CD2 3.48Å; C306-Y310 PolarHBondContact O-N 3.15Å
307L43.8Very low46.8Very low109 Ų109116.6 Ų116.657%0.57160%0.597SS**Hα-helixtrans-68.8-32.2178.3-142.2150.5000112.4F303 I304F303-L307 HydrophobicContact CD1-CD1 4.32Å; F303-L307 HydrophobicContact CE1-CD1 3.61Å; F303-L307 HydrophobicContact CZ-CD1 3.73Å; F303-L307 WeakPolarHBondContact O-CB 3.35Å; F303-L307 PolarHBondContact O-N 3.22Å; I304-L307 PolarHBondContact O-N 2.97Å
308I51.2Low47.2Very low121 Ų121114.7 Ų114.762%0.62159%0.587SS**Hα-helixtrans-74.5-35.4174.6-67.9165.3000111.8I304 C306I304-I308 HydrophobicContact CG2-CD1 3.76Å; I304-I308 HydrophobicContact CG2-CG1 4.48Å; I304-I308 WeakPolarHBondContact O-CD1 3.4Å; I304-I308 WeakPolarHBondContact O-CG1 3.37Å; I304-I308 PolarHBondContact O-N 2.86Å; C306-I308 PolarHBondContact O-N 3.31Å
309L49.1Very low47.6Very low128 Ų128110 Ų11067%0.6758%0.582SS**Hα-helixtrans-73.2-24.3179.5-96.7150.7000114.2T305 C306T305-L309 HydrophobicContact CG2-CD1 4.26Å; T305-L309 PolarHBondContact O-N 3.28Å; T305-L309 VanDerWaalsContact O-N 3.17Å; C306-L309 PolarHBondContact O-N 3.08Å
310Y53.4Low47.9Very low155 Ų155109 Ų10961%0.60859%0.589SS**THydrogen-bonded Turntrans-96.45.2-179.1-84.4-74.7000115C306 T312 I313C306-Y310 WeakPolarHBondContact O-CD2 3.48Å; C306-Y310 PolarHBondContact O-N 3.15Å; Y310-T312 PolarHBondContact O-N 3.39Å; Y310-I313 HydrophobicContact CD1-CD1 4.29Å
311N44.6Very low48.4Very low124 Ų124110 Ų11066%0.66359%0.593SS**THydrogen-bonded Turntrans-70.15.2-175.9-158.43.4000114.6
312T47.4Very low48.7Very low126 Ų126108.6 Ų108.677%0.77359%0.586SS**THydrogen-bonded Turntrans-113.74.8-175.939.50000114.9Y310Y310-T312 PolarHBondContact O-N 3.39Å
313I43.4Very low49.2Very low120 Ų120110.4 Ų110.462%0.61559%0.59SS**  trans-126.653.4-171.1-45.2179.1000112.9Y310Y310-I313 HydrophobicContact CD1-CD1 4.29Å
314I41.3Very low49.8Very low119 Ų119107.8 Ų107.861%0.6159%0.585SS**  trans-118.7109.3179.6-53.8177.4000112.5L318I314-L318 HydrophobicContact CG2-CD1 3.8Å
315P39.4Very low50.2Low101 Ų101107 Ų10766%0.65658%0.584SS**  trans-107.1112160.817.91.3000113.1S317P315-S317 VanDerWaalsContact C-N 3.32Å; P315-S317 PolarHBondContact O-N 3.06Å; P315-S317 PolarHBondContact O-OG 3.21Å
316I39.7Very low50.7Low171 Ų171111.3 Ų111.388%0.87759%0.592SS**SBendtrans41.8-1.8142.3-52.3176.4000122.2L318I316-L318 PolarHBondContact O-N 2.85Å
317S51.4Low51.3Low79 Ų79114.7 Ų114.755%0.55260%0.6SS**  trans-95.516.217757.70000115.3P315 P319P315-S317 VanDerWaalsContact C-N 3.32Å; P315-S317 PolarHBondContact O-N 3.06Å; P315-S317 PolarHBondContact O-OG 3.21Å; S317-P319 VanDerWaalsContact C-CD 3.46Å
318L51.9Low51.9Low91 Ų91114.2 Ų114.248%0.47660%0.596SS.*Hα-helixtrans-57.4-37.9-162.7-141.888.1000117.3I314 I316 L322I314-L318 HydrophobicContact CG2-CD1 3.8Å; I316-L318 PolarHBondContact O-N 2.85Å; L318-L322 HydrophobicContact CB-CD1 4.44Å; L318-L322 HydrophobicContact CD2-CD1 3.52Å; L318-L322 HydrophobicContact CG-CD1 3.69Å; L318-L322 HydrophobicContact CG-CG 4.24Å; L318-L322 WeakPolarHBondContact O-CB 3.49Å; L318-L322 WeakPolarHBondContact O-CD1 3.47Å; L318-L322 VanDerWaalsContact O-CG 3.23Å; L318-L322 WeakPolarHBondContact O-CG 3.37Å; L318-L322 PolarHBondContact O-N 3.33Å
319P57.9Low51.9Low93 Ų93113.4 Ų113.460%0.60459%0.59SS**Hα-helixtrans-70.4-44.1-168.6-20.832.6000114S317 L322 E323S317-P319 VanDerWaalsContact C-CD 3.46Å; P319-L322 PolarHBondContact O-N 3.41Å; P319-E323 PolarHBondContact O-N 3.25Å
320V55.2Low51.7Low104 Ų104109.5 Ų109.563%0.6358%0.577SS**Hα-helixtrans-75.3-37.8-177.6-179.40000110.8L322 E323 V324V320-L322 VanDerWaalsContact C-N 3.32Å; V320-E323 PolarHBondContact O-N 3.05Å; V320-V324 VanDerWaalsContact O-CG2 3.32Å; V320-V324 WeakPolarHBondContact O-CG2 3.21Å; V320-V324 PolarHBondContact O-N 3.1Å
321M56Low51.6Low120 Ų120107.1 Ų107.159%0.59157%0.574SS**Hα-helixtrans-64.9-35.4171-85.3-96.8-83.300111.7V324 V325M321-V324 PolarHBondContact O-N 2.86Å; M321-V325 WeakPolarHBondContact O-CB 3.25Å; M321-V325 WeakPolarHBondContact O-CG2 3.35Å; M321-V325 PolarHBondContact O-N 3.24Å
322L56.8Low51.9Low71 Ų71106.3 Ų106.337%0.37256%0.562SS.*Hα-helixtrans-68.8-35.7174.5-85167.1000112.9L318 P319 V320 R326L318-L322 HydrophobicContact CB-CD1 4.44Å; L318-L322 HydrophobicContact CD2-CD1 3.52Å; L318-L322 HydrophobicContact CG-CD1 3.69Å; L318-L322 HydrophobicContact CG-CG 4.24Å; L318-L322 WeakPolarHBondContact O-CB 3.49Å; L318-L322 WeakPolarHBondContact O-CD1 3.47Å; L318-L322 VanDerWaalsContact O-CG 3.23Å; L318-L322 WeakPolarHBondContact O-CG 3.37Å; L318-L322 PolarHBondContact O-N 3.33Å; P319-L322 PolarHBondContact O-N 3.41Å; V320-L322 VanDerWaalsContact C-N 3.32Å; L322-R326 WeakPolarHBondContact O-CB 3.39Å; L322-R326 WeakPolarHBondContact O-CG 3.48Å; L322-R326 PolarHBondContact O-N 3.28Å
323E60.5Low52.1Low143 Ų143106.6 Ų106.667%0.66856%0.557SS**Hα-helixtrans-70.4-40.5173.5-76.7-168169.300112.1P319 V320 R326 F327P319-E323 PolarHBondContact O-N 3.25Å; V320-E323 PolarHBondContact O-N 3.05Å; E323-R326 CarbonylContact O-C 3.59Å; E323-R326 PolarHBondContact O-N 3.26Å; E323-F327 WeakPolarHBondContact O-CB 3.07Å; E323-F327 PolarHBondContact O-N 3.24Å
324V57.8Low52.3Low76 Ų76108 Ų10846%0.46157%0.566SS.*Hα-helixtrans-65.7-41.9174.4173.40000110.8V320 M321 F327 I328V320-V324 VanDerWaalsContact O-CG2 3.32Å; V320-V324 WeakPolarHBondContact O-CG2 3.21Å; V320-V324 PolarHBondContact O-N 3.1Å; M321-V324 PolarHBondContact O-N 2.86Å; V324-F327 PolarHBondContact O-N 3.3Å; V324-I328 HydrophobicContact CG1-CD1 3.82Å; V324-I328 HydrophobicContact CG1-CG1 4.43Å; V324-I328 WeakPolarHBondContact O-CB 3.4Å; V324-I328 VanDerWaalsContact O-CG1 3.24Å; V324-I328 WeakPolarHBondContact O-CG1 3.41Å; V324-I328 PolarHBondContact O-N 3.46Å
325V59.2Low52.5Low61 Ų61112.3 Ų112.337%0.3758%0.575SS.*Hα-helixtrans-66.2-39.8174.2169.20000110.7M321 Q329M321-V325 WeakPolarHBondContact O-CB 3.25Å; M321-V325 WeakPolarHBondContact O-CG2 3.35Å; M321-V325 PolarHBondContact O-N 3.24Å; V325-Q329 HydrophobicContact CG1-CG 4.21Å; V325-Q329 WeakPolarHBondContact O-CA 2.98Å; V325-Q329 WeakPolarHBondContact O-CB 3.4Å; V325-Q329 WeakPolarHBondContact O-CG 3.43Å; V325-Q329 PolarHBondContact O-N 2.99Å
326R55.9Low52.9Low160 Ų160110.2 Ų110.260%0.60456%0.56SS**Hα-helixtrans-67.7-34.1174.1-78.5172179.3-179.90.5112.5L322 E323 Q329 A330L322-R326 WeakPolarHBondContact O-CB 3.39Å; L322-R326 WeakPolarHBondContact O-CG 3.48Å; L322-R326 PolarHBondContact O-N 3.28Å; E323-R326 CarbonylContact O-C 3.59Å; E323-R326 PolarHBondContact O-N 3.26Å; R326-Q329 CarbonylContact O-C 3.58Å; R326-A330 WeakPolarHBondContact O-CB 3.49Å; R326-A330 PolarHBondContact O-N 3.4Å
327F61.4Low53.2Low137 Ų137107.8 Ų107.860%0.60155%0.549SS*.Hα-helixtrans-71.2-44.3175.4-177.5-99.7000111.1E323 V324 Q329 A330 L331E323-F327 WeakPolarHBondContact O-CB 3.07Å; E323-F327 PolarHBondContact O-N 3.24Å; V324-F327 PolarHBondContact O-N 3.3Å; F327-Q329 VanDerWaalsContact C-N 3.34Å; F327-A330 PolarHBondContact O-N 3.14Å; F327-L331 HydrophobicContact CD1-CD1 3.86Å; F327-L331 HydrophobicContact CE1-CD1 3.45Å; F327-L331 VanDerWaalsContact CE1-CD1 3.45Å; F327-L331 HydrophobicContact CE1-CG 4.32Å; F327-L331 HydrophobicContact CZ-CD1 3.99Å; F327-L331 WeakPolarHBondContact O-CB 3.47Å; F327-L331 WeakPolarHBondContact O-CG 3.5Å; F327-L331 PolarHBondContact O-N 3.33Å
328I56.9Low53.4Low98 Ų98109.7 Ų109.750%0.50355%0.549SS..Hα-helixtrans-64.3-40.2171.9-67.9170.6000110V324 L331 Y332V324-I328 HydrophobicContact CG1-CD1 3.82Å; V324-I328 HydrophobicContact CG1-CG1 4.43Å; V324-I328 WeakPolarHBondContact O-CB 3.4Å; V324-I328 VanDerWaalsContact O-CG1 3.24Å; V324-I328 WeakPolarHBondContact O-CG1 3.41Å; V324-I328 PolarHBondContact O-N 3.46Å; I328-L331 PolarHBondContact O-N 2.89Å; I328-Y332 VanDerWaalsContact O-CB 3.29Å; I328-Y332 WeakPolarHBondContact O-CB 3.36Å; I328-Y332 PolarHBondContact O-N 3.34Å
329Q50.5Low53.8Low104 Ų104110.3 Ų110.349%0.48656%0.557SS.*Hα-helixtrans-65.4-37.3173.2-79.5171.9-2100112.1V325 R326 F327 Y332 I333V325-Q329 HydrophobicContact CG1-CG 4.21Å; V325-Q329 WeakPolarHBondContact O-CA 2.98Å; V325-Q329 WeakPolarHBondContact O-CB 3.4Å; V325-Q329 WeakPolarHBondContact O-CG 3.43Å; V325-Q329 PolarHBondContact O-N 2.99Å; R326-Q329 CarbonylContact O-C 3.58Å; F327-Q329 VanDerWaalsContact C-N 3.34Å; Q329-Y332 CarbonylContact O-C 3.54Å; Q329-Y332 VanDerWaalsContact O-CB 3.31Å; Q329-Y332 WeakPolarHBondContact O-CB 3.37Å; Q329-Y332 PolarHBondContact O-N 3.33Å; Q329-I333 WeakPolarHBondContact O-CB 3.47Å; Q329-I333 WeakPolarHBondContact O-CD1 3.49Å; Q329-I333 WeakPolarHBondContact O-CG1 3.39Å; Q329-I333 PolarHBondContact O-N 2.81Å
330A46Very low53.8Low47 Ų47109.6 Ų109.639%0.38855%0.551SS.*Hα-helixtrans-71.4-36.7176.700000111.8R326 F327 Y332 N334R326-A330 WeakPolarHBondContact O-CB 3.49Å; R326-A330 PolarHBondContact O-N 3.4Å; F327-A330 PolarHBondContact O-N 3.14Å; A330-Y332 VanDerWaalsContact C-N 3.32Å; A330-N334 PolarHBondContact O-N 2.85Å
331L49.9Very low54Low105 Ų105106.5 Ų106.555%0.5553%0.531SS..Hα-helixtrans-65.3-35.6167.8-74.1171.1000111.6F327 I328F327-L331 HydrophobicContact CD1-CD1 3.86Å; F327-L331 HydrophobicContact CE1-CD1 3.45Å; F327-L331 VanDerWaalsContact CE1-CD1 3.45Å; F327-L331 HydrophobicContact CE1-CG 4.32Å; F327-L331 HydrophobicContact CZ-CD1 3.99Å; F327-L331 WeakPolarHBondContact O-CB 3.47Å; F327-L331 WeakPolarHBondContact O-CG 3.5Å; F327-L331 PolarHBondContact O-N 3.33Å; I328-L331 PolarHBondContact O-N 2.89Å
332Y51.1Low54.3Low106 Ų106106.5 Ų106.542%0.41652%0.524SS..Hα-helixtrans-67.1-47.3174.2-141.8-97.2000111I328 Q329 A330 N334 W335 V336 L341I328-Y332 VanDerWaalsContact O-CB 3.29Å; I328-Y332 WeakPolarHBondContact O-CB 3.36Å; I328-Y332 PolarHBondContact O-N 3.34Å; Q329-Y332 CarbonylContact O-C 3.54Å; Q329-Y332 VanDerWaalsContact O-CB 3.31Å; Q329-Y332 WeakPolarHBondContact O-CB 3.37Å; Q329-Y332 PolarHBondContact O-N 3.33Å; A330-Y332 VanDerWaalsContact C-N 3.32Å; Y332-N334 VanDerWaalsContact C-N 3.29Å; Y332-N334 PolarHBondContact O-N 2.81Å; Y332-W335 PolarHBondContact O-N 3.1Å; Y332-V336 HydrophobicContact CD1-CG2 3.63Å; Y332-V336 HydrophobicContact CE1-CG2 3.94Å; Y332-V336 HydrophobicContact CG-CG2 4.24Å; Y332-V336 WeakPolarHBondContact O-CB 3.34Å; Y332-V336 WeakPolarHBondContact O-CG2 3.25Å; Y332-L341 HydrophobicContact CD1-CD2 4.45Å; Y332-L341 HydrophobicContact CD2-CD2 3.92Å; Y332-L341 HydrophobicContact CE1-CD2 3.81Å; Y332-L341 HydrophobicContact CE2-CD2 3.22Å; Y332-L341 HydrophobicContact CE2-CG 4.24Å; Y332-L341 HydrophobicContact CG-CD2 4.49Å; Y332-L341 WeakPolarHBondContact OH-CD2 3.38Å; Y332-L341 WeakPolarHBondContact OH-CG 3.23Å
333I51.5Low54.8Low132 Ų132107.3 Ų107.368%0.67752%0.523SS*.Hα-helixtrans-60.8-36.4-177.2-72.9159.8000111.7Q329 W335Q329-I333 WeakPolarHBondContact O-CB 3.47Å; Q329-I333 WeakPolarHBondContact O-CD1 3.49Å; Q329-I333 WeakPolarHBondContact O-CG1 3.39Å; Q329-I333 PolarHBondContact O-N 2.81Å; I333-W335 VanDerWaalsContact C-N 3.32Å; I333-W335 PolarHBondContact O-N 3.22Å
334N48.1Very low55Low150 Ų150100.9 Ų100.980%0.80249%0.494SS*.THydrogen-bonded Turntrans-81.2-1.5-178.6-83.1-23.5000115A330 Y332A330-N334 PolarHBondContact O-N 2.85Å; Y332-N334 VanDerWaalsContact C-N 3.29Å; Y332-N334 PolarHBondContact O-N 2.81Å
335W46.3Very low55.5Low210 Ų210100.8 Ų100.880%0.79549%0.491SS*.THydrogen-bonded Turntrans-126.25.5-172.8-144.774.1000115.1Y332 I333Y332-W335 PolarHBondContact O-N 3.1Å; I333-W335 VanDerWaalsContact C-N 3.32Å; I333-W335 PolarHBondContact O-N 3.22Å
336V48Very low56.1Low56 Ų56101.2 Ų101.234%0.33949%0.491SS..  trans-106.5106.2-158.1166.60000114.7Y332 E338 L341Y332-V336 HydrophobicContact CD1-CG2 3.63Å; Y332-V336 HydrophobicContact CE1-CG2 3.94Å; Y332-V336 HydrophobicContact CG-CG2 4.24Å; Y332-V336 WeakPolarHBondContact O-CB 3.34Å; Y332-V336 WeakPolarHBondContact O-CG2 3.25Å; V336-E338 HydrophobicContact CG1-CB 3.99Å; V336-E338 HydrophobicContact CG1-CG 4.23Å; V336-L341 HydrophobicContact CG2-CD2 4.37Å
337N45.5Very low56.8Low121 Ų12195 Ų9565%0.64747%0.469SS*.  trans-82.9115.3131.6-82.3-22000107.2T339 T340N337-T339 PolarHBondContact O-N 3.37Å; N337-T340 PolarHBondContact O-N 2.77Å
338E56Low57.2Low119 Ų11991.6 Ų91.656%0.55646%0.457SS*.Hα-helixtrans-60.9-18.7-170.4-148.2-172.4151.200114.1V336 R342V336-E338 HydrophobicContact CG1-CB 3.99Å; V336-E338 HydrophobicContact CG1-CG 4.23Å; E338-R342 WeakPolarHBondContact O-CD 3.21Å; E338-R342 VanDerWaalsContact O-CG 3.31Å; E338-R342 WeakPolarHBondContact O-CG 3.22Å; E338-R342 IonicContact OE1-CZ 2.83Å; E338-R342 IonicContact OE1-NE 2.66Å; E338-R342 IonicContact OE1-NH2 2.99Å; E338-R342 PolarHBondContact OE1-NH2 3.2Å
339T59.7Low58Low103 Ų10388.5 Ų88.563%0.63244%0.441SS*.Hα-helixtrans-81.5-42.2179.947.50000112.8N337 L341 R342 Y343N337-T339 PolarHBondContact O-N 3.37Å; T339-L341 PolarHBondContact O-N 3.23Å; T339-R342 PolarHBondContact O-N 3.05Å; T339-Y343 WeakPolarHBondContact O-CB 3.46Å; T339-Y343 PolarHBondContact O-N 3.11Å
340T58.4Low59.1Low79 Ų7984.3 Ų84.349%0.48542%0.422SS..Hα-helixtrans-66.5-39.2-174.2-46.70000112.3N337 Y343 A344N337-T340 PolarHBondContact O-N 2.77Å; T340-Y343 PolarHBondContact O-N 3.41Å; T340-A344 WeakPolarHBondContact O-CB 3.46Å; T340-A344 PolarHBondContact O-N 3.49Å
341L57.9Low60.4Low39 Ų3982.2 Ų82.220%0.20441%0.405CS..Hα-helixtrans-77-36.1-178.3-172.850.7000112.8Y332 V336 T339 Y343 A344 I345Y332-L341 HydrophobicContact CD1-CD2 4.45Å; Y332-L341 HydrophobicContact CD2-CD2 3.92Å; Y332-L341 HydrophobicContact CE1-CD2 3.81Å; Y332-L341 HydrophobicContact CE2-CD2 3.22Å; Y332-L341 HydrophobicContact CE2-CG 4.24Å; Y332-L341 HydrophobicContact CG-CD2 4.49Å; Y332-L341 WeakPolarHBondContact OH-CD2 3.38Å; Y332-L341 WeakPolarHBondContact OH-CG 3.23Å; V336-L341 HydrophobicContact CG2-CD2 4.37Å; T339-L341 PolarHBondContact O-N 3.23Å; L341-Y343 VanDerWaalsContact C-N 3.32Å; L341-A344 HydrophobicContact CD1-CB 4.44Å; L341-A344 PolarHBondContact O-N 3.05Å; L341-I345 HydrophobicContact CD1-CD1 4.25Å; L341-I345 HydrophobicContact CD1-CG1 4.3Å; L341-I345 HydrophobicContact CG-CD1 4.19Å; L341-I345 WeakPolarHBondContact O-CG1 3.33Å; L341-I345 PolarHBondContact O-N 3.44Å
342R63.4Low61.6Low119 Ų11978.6 Ų78.645%0.44939%0.385SS..Hα-helixtrans-61.5-43.8170.5-72177.2-176.2-1227.6110.7E338 T339 I345 N346E338-R342 WeakPolarHBondContact O-CD 3.21Å; E338-R342 VanDerWaalsContact O-CG 3.31Å; E338-R342 WeakPolarHBondContact O-CG 3.22Å; E338-R342 IonicContact OE1-CZ 2.83Å; E338-R342 IonicContact OE1-NE 2.66Å; E338-R342 IonicContact OE1-NH2 2.99Å; E338-R342 PolarHBondContact OE1-NH2 3.2Å; T339-R342 PolarHBondContact O-N 3.05Å; R342-I345 PolarHBondContact O-N 3.08Å; R342-N346 VanDerWaalsContact O-CB 3.3Å; R342-N346 WeakPolarHBondContact O-CB 3.3Å; R342-N346 PolarHBondContact O-N 3.4Å; R342-N346 PolarHBondContact O-ND2 3.18Å
343Y67.7Low62.8Low88 Ų8873.6 Ų73.635%0.34537%0.365SS..Hα-helixtrans-58.9-48.4173.7-179.4-94.2000111.5T277 T339 T340 L341 I345 N346 M347T277-Y343 HydrophobicContact CG2-CE1 4.49Å; T339-Y343 WeakPolarHBondContact O-CB 3.46Å; T339-Y343 PolarHBondContact O-N 3.11Å; T340-Y343 PolarHBondContact O-N 3.41Å; L341-Y343 VanDerWaalsContact C-N 3.32Å; Y343-I345 PolarHBondContact O-N 2.97Å; Y343-N346 PolarHBondContact O-N 2.83Å; Y343-M347 HydrophobicContact CD1-CG 4.15Å; Y343-M347 HydrophobicContact CD2-CE 4.25Å; Y343-M347 HydrophobicContact CE1-CG 3.79Å; Y343-M347 HydrophobicContact CE2-CE 3.51Å; Y343-M347 HydrophobicContact CE2-CG 4.28Å; Y343-M347 WeakPolarHBondContact O-CB 3.21Å; Y343-M347 VanDerWaalsContact O-CG 3.31Å; Y343-M347 WeakPolarHBondContact O-CG 3.31Å; Y343-M347 PolarHBondContact O-N 2.88Å
344A64.7Low64Low9 Ų967.5 Ų67.57%0.07433%0.334CS..Hα-helixtrans-58.1-49.1178.300000112.7F270 L274 T340 L341 M347 L348F270-A344 HydrophobicContact CE2-CB 3.72Å; F270-A344 WeakPolarHBondContact CE2-O 3.39Å; F270-A344 HydrophobicContact CZ-CB 4.09Å; L274-A344 HydrophobicContact CD2-CB 4.17Å; T340-A344 WeakPolarHBondContact O-CB 3.46Å; T340-A344 PolarHBondContact O-N 3.49Å; L341-A344 HydrophobicContact CD1-CB 4.44Å; L341-A344 PolarHBondContact O-N 3.05Å; A344-M347 PolarHBondContact O-N 3.44Å; A344-L348 PolarHBondContact O-N 2.69Å
345I68.2Low65.4Low74 Ų7460.6 Ų60.638%0.37930%0.296SS..Hα-helixtrans-64.1-44178.4-67.6167.5000110.8L341 R342 Y343 M347 L348 I349L341-I345 HydrophobicContact CD1-CD1 4.25Å; L341-I345 HydrophobicContact CD1-CG1 4.3Å; L341-I345 HydrophobicContact CG-CD1 4.19Å; L341-I345 WeakPolarHBondContact O-CG1 3.33Å; L341-I345 PolarHBondContact O-N 3.44Å; R342-I345 PolarHBondContact O-N 3.08Å; Y343-I345 PolarHBondContact O-N 2.97Å; I345-M347 VanDerWaalsContact C-N 3.28Å; I345-M347 PolarHBondContact O-N 3.26Å; I345-L348 PolarHBondContact O-N 3.25Å; I345-I349 HydrophobicContact CG2-CD1 3.87Å; I345-I349 HydrophobicContact CG2-CG1 4.44Å; I345-I349 WeakPolarHBondContact O-CG1 3.19Å; I345-I349 PolarHBondContact O-N 3.36Å
346N71.4Confident67Low69 Ų6950.7 Ų50.737%0.36926%0.259SS..Hα-helixtrans-60.3-40176.6-73.5-14.3000111.2V50 R342 Y343 I349 T350V50-N346 HydrophobicContact CG2-CB 4.49Å; R342-N346 VanDerWaalsContact O-CB 3.3Å; R342-N346 WeakPolarHBondContact O-CB 3.3Å; R342-N346 PolarHBondContact O-N 3.4Å; R342-N346 PolarHBondContact O-ND2 3.18Å; Y343-N346 PolarHBondContact O-N 2.83Å; N346-I349 PolarHBondContact O-N 3.42Å; N346-T350 VanDerWaalsContact O-CB 3.25Å; N346-T350 WeakPolarHBondContact O-CB 3.35Å; N346-T350 PolarHBondContact O-N 3.1Å; N346-T350 PolarHBondContact O-OG1 2.74Å
347M70.1Confident68.3Low30 Ų3048.7 Ų48.715%0.14825%0.247CC..Hα-helixtrans-69.1-35.5177-73-60.7155.500113.1Y343 A344 I345 S351Y343-M347 HydrophobicContact CD1-CG 4.15Å; Y343-M347 HydrophobicContact CD2-CE 4.25Å; Y343-M347 HydrophobicContact CE1-CG 3.79Å; Y343-M347 HydrophobicContact CE2-CE 3.51Å; Y343-M347 HydrophobicContact CE2-CG 4.28Å; Y343-M347 WeakPolarHBondContact O-CB 3.21Å; Y343-M347 VanDerWaalsContact O-CG 3.31Å; Y343-M347 WeakPolarHBondContact O-CG 3.31Å; Y343-M347 PolarHBondContact O-N 2.88Å; A344-M347 PolarHBondContact O-N 3.44Å; I345-M347 VanDerWaalsContact C-N 3.28Å; I345-M347 PolarHBondContact O-N 3.26Å; M347-S351 VanDerWaalsContact O-CB 3.3Å; M347-S351 WeakPolarHBondContact O-CB 3.49Å; M347-S351 PolarHBondContact O-N 2.83Å; M347-S351 PolarHBondContact O-OG 3.09Å
348L70.7Confident69.9Low66 Ų6643.5 Ų43.535%0.34622%0.219SC..Hα-helixtrans-63.9-47.9173.2-177.267.5000111.2F270 A344 I345 S351 F352F270-L348 HydrophobicContact CB-CD1 3.81Å; F270-L348 HydrophobicContact CD1-CD1 4.29Å; F270-L348 HydrophobicContact CD2-CB 3.9Å; F270-L348 HydrophobicContact CD2-CD1 4.39Å; F270-L348 HydrophobicContact CE2-CB 4.35Å; F270-L348 HydrophobicContact CG-CB 4.28Å; F270-L348 HydrophobicContact CG-CD1 3.9Å; A344-L348 PolarHBondContact O-N 2.69Å; I345-L348 PolarHBondContact O-N 3.25Å; L348-S351 PolarHBondContact O-N 2.93Å; L348-F352 WeakPolarHBondContact O-CB 3.36Å; L348-F352 PolarHBondContact O-N 3.02Å
349I72.2Confident70.9Confident33 Ų3337.9 Ų37.917%0.16919%0.193CC..Hα-helixtrans-66.3-41.2178.1-59.5168.3000110.4I47 V50 I345 N346 S351 F352 I353I47-I349 HydrophobicContact CD1-CD1 4.45Å; V50-I349 HydrophobicContact CG1-CB 3.64Å; V50-I349 HydrophobicContact CG1-CG2 3.4Å; V50-I349 VanDerWaalsContact CG1-CG2 3.4Å; I345-I349 HydrophobicContact CG2-CD1 3.87Å; I345-I349 HydrophobicContact CG2-CG1 4.44Å; I345-I349 WeakPolarHBondContact O-CG1 3.19Å; I345-I349 PolarHBondContact O-N 3.36Å; N346-I349 PolarHBondContact O-N 3.42Å; I349-S351 PolarHBondContact O-N 3.02Å; I349-F352 PolarHBondContact O-N 2.87Å; I349-I353 HydrophobicContact CG2-CD1 3.81Å; I349-I353 HydrophobicContact CG2-CG1 4.27Å; I349-I353 WeakPolarHBondContact O-CG1 3.21Å; I349-I353 PolarHBondContact O-N 3.2Å
350T74.8Confident71.8Confident16 Ų1633.2 Ų33.210%0.09816%0.164CC..Hα-helixtrans-59.5-46.5176-58.40000110.7V50 P52 N346 F352 I353 M354V50-T350 PolarHBondContact O-OG1 2.62Å; P52-T350 HydrophobicContact CG-CG2 4.2Å; N346-T350 VanDerWaalsContact O-CB 3.25Å; N346-T350 WeakPolarHBondContact O-CB 3.35Å; N346-T350 PolarHBondContact O-N 3.1Å; N346-T350 PolarHBondContact O-OG1 2.74Å; T350-F352 VanDerWaalsContact C-N 3.33Å; T350-F352 PolarHBondContact O-N 3.16Å; T350-I353 PolarHBondContact O-N 3.18Å; T350-M354 WeakPolarHBondContact O-CB 3.33Å; T350-M354 PolarHBondContact O-N 3.04Å
351S72.1Confident72.6Confident2 Ų230.3 Ų30.31%0.01415%0.145CC..Hα-helixtrans-59.2-43.4175.1-650000111.7T269 M347 L348 I349 M354 Y355T269-S351 VanDerWaalsContact OG1-CB 3.26Å; T269-S351 WeakPolarHBondContact OG1-CB 3.12Å; T269-S351 PolarHBondContact OG1-OG 3.31Å; M347-S351 VanDerWaalsContact O-CB 3.3Å; M347-S351 WeakPolarHBondContact O-CB 3.49Å; M347-S351 PolarHBondContact O-N 2.83Å; M347-S351 PolarHBondContact O-OG 3.09Å; L348-S351 PolarHBondContact O-N 2.93Å; I349-S351 PolarHBondContact O-N 3.02Å; S351-M354 PolarHBondContact O-N 3.33Å; S351-Y355 WeakPolarHBondContact O-CD2 3.49Å; S351-Y355 PolarHBondContact O-N 3.1Å
352F76.2Confident73.7Confident30 Ų3029.1 Ų29.113%0.13214%0.141CC..Hα-helixtrans-63.7-44.1177.9-169.3-109.5000112.7F37 I41 L44 F259 L262 L263 T266 L348 I349 T350 M354 H356F37-F352 HydrophobicContact CE2-CE1 4.45Å; F37-F352 AromaticContact CE2-CZ 3.85Å; F37-F352 HydrophobicContact CE2-CZ 3.85Å; I41-F352 HydrophobicContact CD1-CD1 3.53Å; I41-F352 HydrophobicContact CD1-CE1 3.19Å; I41-F352 HydrophobicContact CD1-CZ 4.04Å; I41-F352 HydrophobicContact CG1-CE1 4.42Å; L44-F352 HydrophobicContact CD1-CD1 3.99Å; L44-F352 HydrophobicContact CD1-CE1 4.03Å; F259-F352 HydrophobicContact CE2-CE2 4.25Å; F259-F352 HydrophobicContact CE2-CZ 4.06Å; L262-F352 HydrophobicContact CD2-CE2 3.94Å; L262-F352 HydrophobicContact CD2-CZ 4.47Å; L262-F352 HydrophobicContact CG-CD2 4.45Å; L262-F352 HydrophobicContact CG-CE2 4.21Å; L263-F352 HydrophobicContact CD2-CD2 4.36Å; L263-F352 HydrophobicContact CD2-CE2 3.83Å; T266-F352 HydrophobicContact CG2-CB 4.19Å; T266-F352 HydrophobicContact CG2-CD2 3.96Å; L348-F352 WeakPolarHBondContact O-CB 3.36Å; L348-F352 PolarHBondContact O-N 3.02Å; I349-F352 PolarHBondContact O-N 2.87Å; T350-F352 VanDerWaalsContact C-N 3.33Å; T350-F352 PolarHBondContact O-N 3.16Å; F352-M354 VanDerWaalsContact C-N 3.34Å; F352-H356 PolarHBondContact O-N 3.15Å; F352-H356 VanDerWaalsContact O-N 3.13Å
353I75.6Confident74.7Confident0 Ų023.7 Ų23.70%012%0.12CC..Hα-helixtrans-66.8-36.4175.2-64169.5000110.8Q45 V50 P52 I349 T350 Y355 H356Q45-I353 HydrophobicContact CG-CD1 4.18Å; Q45-I353 HydrophobicContact CG-CG1 4.4Å; Q45-I353 HydrophobicContact CG-CG2 3.98Å; V50-I353 HydrophobicContact CG1-CD1 4.26Å; P52-I353 HydrophobicContact CG-CG2 4.38Å; I349-I353 HydrophobicContact CG2-CD1 3.81Å; I349-I353 HydrophobicContact CG2-CG1 4.27Å; I349-I353 WeakPolarHBondContact O-CG1 3.21Å; I349-I353 PolarHBondContact O-N 3.2Å; T350-I353 PolarHBondContact O-N 3.18Å; I353-Y355 VanDerWaalsContact C-N 3.33Å; I353-Y355 PolarHBondContact O-N 3.33Å; I353-H356 PolarHBondContact O-ND1 2.91Å
354M76.1Confident75.2Confident5 Ų520.4 Ų20.43%0.02511%0.108CC..Hα-helixtrans-63.5-38.7-179.6-169.9172.366.400112.4T350 S351 F352 Q885 A889T350-M354 WeakPolarHBondContact O-CB 3.33Å; T350-M354 PolarHBondContact O-N 3.04Å; S351-M354 PolarHBondContact O-N 3.33Å; F352-M354 VanDerWaalsContact C-N 3.34Å; M354-Q885 VanDerWaalsContact CG-OE1 3.28Å; M354-A889 HydrophobicContact CE-CB 4.37Å
355Y79.4Confident76Confident4 Ų421.5 Ų21.52%0.01611%0.114CC..Hα-helixtrans-96-6.1-176.7-61.4-50.8000115L262 L265 T266 T269 S351 I353 T357 M358 F886L262-Y355 VanDerWaalsContact CD1-C 3.46Å; L262-Y355 HydrophobicContact CD1-CG 4.44Å; L262-Y355 WeakPolarHBondContact CD1-O 3.32Å; L265-Y355 HydrophobicContact CB-CD2 4.31Å; L265-Y355 HydrophobicContact CB-CE2 4.43Å; T266-Y355 HydrophobicContact CG2-CD2 3.77Å; T269-Y355 HydrophobicContact CG2-CE2 3.66Å; T269-Y355 WeakPolarHBondContact CG2-OH 3.44Å; S351-Y355 WeakPolarHBondContact O-CD2 3.49Å; S351-Y355 PolarHBondContact O-N 3.1Å; I353-Y355 VanDerWaalsContact C-N 3.33Å; I353-Y355 PolarHBondContact O-N 3.33Å; Y355-T357 PolarHBondContact O-N 3.38Å; Y355-T357 VanDerWaalsContact O-N 3.08Å; Y355-M358 WeakPolarHBondContact O-CB 3.5Å; Y355-M358 PolarHBondContact O-N 2.66Å; Y355-F886 HydrophobicContact CE1-CB 3.73Å; Y355-F886 HydrophobicContact CE1-CD2 4.42Å; Y355-F886 AromaticContact CZ-CD2 3.92Å; Y355-F886 WeakPolarHBondContact OH-CA 3.28Å; Y355-F886 WeakPolarHBondContact OH-CD2 3.25Å
356H78.3Confident76.9Confident3 Ų318.6 Ų18.61%0.01410%0.1CC..G310 helixtrans-57.3-32.6-170.984.6-88000114.5F37 I41 T58 F352 I353 M358 V359F37-H356 HydrophobicContact CE1-CB 4.42Å; F37-H356 HydrophobicContact CZ-CB 3.93Å; I41-H356 HydrophobicContact CD1-CB 3.62Å; I41-H356 HydrophobicContact CG1-CB 3.95Å; I41-H356 HydrophobicContact CG2-CB 4.27Å; T58-H356 PolarHBondContact OG1-CE1 3.41Å; T58-H356 PolarHBondContact OG1-NE2 2.91Å; F352-H356 PolarHBondContact O-N 3.15Å; F352-H356 VanDerWaalsContact O-N 3.13Å; I353-H356 PolarHBondContact O-ND1 2.91Å; H356-M358 PolarHBondContact O-N 2.88Å; H356-V359 PolarHBondContact O-N 2.84Å
357T76.7Confident77.6Confident14 Ų1415.6 Ų15.69%0.0868%0.084CC..G310 helixtrans-72.5-4.5-179.344.80000113.7Y355 V359 N878 Y882Y355-T357 PolarHBondContact O-N 3.38Å; Y355-T357 VanDerWaalsContact O-N 3.08Å; T357-V359 PolarHBondContact O-N 2.85Å; T357-N878 PolarHBondContact O-OD1 3.19Å; T357-Y882 VanDerWaalsContact C-CD2 3.42Å; T357-Y882 VanDerWaalsContact CB-CE1 3.48Å; T357-Y882 WeakPolarHBondContact CB-OH 3.41Å; T357-Y882 HydrophobicContact CG2-CE1 4.14Å; T357-Y882 HydrophobicContact CG2-CE2 4.44Å; T357-Y882 WeakPolarHBondContact O-CD2 3.23Å; T357-Y882 WeakPolarHBondContact O-CE2 3.29Å; T357-Y882 WeakPolarHBondContact OG1-CD1 3.48Å; T357-Y882 WeakPolarHBondContact OG1-CE1 3.4Å; T357-Y882 WeakPolarHBondContact OG1-CE2 3.28Å
358M78.6Confident78.3Confident11 Ų1114.4 Ų14.45%0.0548%0.078CC..G310 helixtrans-55.8-31.9165.4-172.8174.3166.900111.2L258 V261 L265 Y355 H356 V879L258-M358 HydrophobicContact CD2-CE 3.55Å; V261-M358 HydrophobicContact CB-CE 4.05Å; V261-M358 HydrophobicContact CG1-CE 3.63Å; V261-M358 HydrophobicContact CG1-SD 4.45Å; L265-M358 HydrophobicContact CD1-SD 4.28Å; Y355-M358 WeakPolarHBondContact O-CB 3.5Å; Y355-M358 PolarHBondContact O-N 2.66Å; H356-M358 PolarHBondContact O-N 2.88Å; M358-V879 HydrophobicContact CE-CG1 4.21Å; M358-V879 HydrophobicContact CE-CG2 3.98Å; M358-V879 HydrophobicContact CG-CG2 3.88Å
359V77.6Confident79.1Confident2 Ų213.3 Ų13.31%0.0127%0.074CC..SBendtrans-84.1119.3167.3-174.70000108.7F37 F38 I255 H356 T357 I361F37-V359 HydrophobicContact CD1-CB 4.38Å; F37-V359 HydrophobicContact CD1-CG1 4.48Å; F37-V359 HydrophobicContact CE1-CB 3.91Å; F37-V359 HydrophobicContact CE1-CG1 4.49Å; F37-V359 HydrophobicContact CE1-CG2 4.07Å; F37-V359 HydrophobicContact CZ-CG2 4.38Å; F38-V359 HydrophobicContact CE1-CB 4.47Å; F38-V359 HydrophobicContact CZ-CB 4.2Å; F38-V359 HydrophobicContact CZ-CG1 3.86Å; F38-V359 WeakPolarHBondContact CZ-O 3.41Å; I255-V359 HydrophobicContact CG2-CG1 3.92Å; H356-V359 PolarHBondContact O-N 2.84Å; T357-V359 PolarHBondContact O-N 2.85Å; V359-I361 PolarHBondContact O-N 2.82Å; V359-I361 VanDerWaalsContact O-N 3.09Å
360P78.6Confident80Confident5 Ų511.8 Ų11.83%0.0327%0.066CC..  trans-73104.9-171.329-36.3000112.5S362 L363 F875 N878P360-S362 PolarHBondContact O-N 2.93Å; P360-L363 HydrophobicContact CB-CB 3.8Å; P360-L363 HydrophobicContact CG-CB 3.59Å; P360-L363 HydrophobicContact CG-CD2 3.78Å; P360-L363 HydrophobicContact CG-CG 4.31Å; P360-L363 WeakPolarHBondContact O-CB 3.03Å; P360-L363 PolarHBondContact O-N 3.32Å; P360-F875 HydrophobicContact CG-CD1 3.87Å; P360-F875 HydrophobicContact CG-CE1 3.84Å; P360-N878 HydrophobicContact CB-CB 4.41Å; P360-N878 WeakPolarHBondContact CB-ND2 3.45Å
361I75.1Confident80.8Confident17 Ų1711.1 Ų11.19%0.0876%0.062CC..Hα-helixtrans-54.5-43.7172.8-64.7166.8000110.7F38 T58 P61 I65 V359 L363F38-I361 HydrophobicContact CD1-CD1 4.01Å; F38-I361 HydrophobicContact CD1-CG1 3.45Å; F38-I361 VanDerWaalsContact CD1-CG1 3.45Å; F38-I361 HydrophobicContact CD2-CG1 4.16Å; F38-I361 HydrophobicContact CE1-CB 4.22Å; F38-I361 HydrophobicContact CE1-CD1 3.93Å; F38-I361 HydrophobicContact CE1-CG1 3.07Å; F38-I361 HydrophobicContact CE2-CB 4.21Å; F38-I361 HydrophobicContact CE2-CG1 3.84Å; F38-I361 HydrophobicContact CG-CG1 4.01Å; F38-I361 VanDerWaalsContact CZ-CA 3.5Å; F38-I361 HydrophobicContact CZ-CB 3.96Å; F38-I361 HydrophobicContact CZ-CG1 3.28Å; T58-I361 HydrophobicContact CG2-CD1 4Å; P61-I361 HydrophobicContact CB-CG2 4.06Å; I65-I361 HydrophobicContact CD1-CG2 3.19Å; I65-I361 HydrophobicContact CG1-CG2 4.49Å; V359-I361 PolarHBondContact O-N 2.82Å; V359-I361 VanDerWaalsContact O-N 3.09Å; I361-L363 VanDerWaalsContact C-N 3.27Å; I361-L363 PolarHBondContact O-N 3.37Å
362S81.4Confident81.6Confident15 Ų1512.9 Ų12.911%0.1057%0.071CC..Hα-helixtrans-71.8-16.1-17668.80000114.2P360 Q364 V365 C366P360-S362 PolarHBondContact O-N 2.93Å; S362-Q364 VanDerWaalsContact C-N 3.3Å; S362-Q364 PolarHBondContact O-N 2.87Å; S362-V365 PolarHBondContact O-N 2.84Å; S362-C366 WeakPolarHBondContact O-CB 3.26Å; S362-C366 PolarHBondContact O-N 3.06Å; S362-C366 PolarHBondContact O-SG 3.03Å
363L82.8Confident82.3Confident4 Ų413.6 Ų13.62%0.0218%0.078CC..Hα-helixtrans-60-43.5-176.4175.361.8000110.6T251 P360 I361 V365 C366 L367 L870 I871 F875T251-L363 HydrophobicContact CG2-CD2 4.14Å; P360-L363 HydrophobicContact CB-CB 3.8Å; P360-L363 HydrophobicContact CG-CB 3.59Å; P360-L363 HydrophobicContact CG-CD2 3.78Å; P360-L363 HydrophobicContact CG-CG 4.31Å; P360-L363 WeakPolarHBondContact O-CB 3.03Å; P360-L363 PolarHBondContact O-N 3.32Å; I361-L363 VanDerWaalsContact C-N 3.27Å; I361-L363 PolarHBondContact O-N 3.37Å; L363-V365 PolarHBondContact O-N 3.24Å; L363-C366 PolarHBondContact O-N 3.1Å; L363-L367 HydrophobicContact CD1-CD1 3.91Å; L363-L367 HydrophobicContact CD1-CD2 4.28Å; L363-L367 HydrophobicContact CD1-CG 3.87Å; L363-L367 HydrophobicContact CG-CD1 3.87Å; L363-L367 HydrophobicContact CG-CG 4.26Å; L363-L367 WeakPolarHBondContact O-CB 3.26Å; L363-L367 VanDerWaalsContact O-CG 3.22Å; L363-L367 WeakPolarHBondContact O-CG 3.11Å; L363-L367 PolarHBondContact O-N 2.9Å; L363-L870 HydrophobicContact CD1-CD2 3.84Å; L363-I871 HydrophobicContact CD1-CG1 4.32Å; L363-F875 HydrophobicContact CD2-CE1 4.08Å; L363-F875 HydrophobicContact CD2-CE2 4.25Å; L363-F875 HydrophobicContact CD2-CZ 3.79Å
364Q79.5Confident83.1Confident20 Ų2013.7 Ų13.79%0.0938%0.078CC..Hα-helixtrans-62-45.3-177.2-168.460.928.200112S362 L367 E368S362-Q364 VanDerWaalsContact C-N 3.3Å; S362-Q364 PolarHBondContact O-N 2.87Å; Q364-L367 PolarHBondContact O-N 3.37Å; Q364-E368 PolarHBondContact NE2-OE1 2.88Å; Q364-E368 WeakPolarHBondContact O-CG 3.42Å; Q364-E368 PolarHBondContact O-N 2.83Å
365V80.3Confident83.9Confident31 Ų3113.8 Ų13.819%0.1888%0.079CC..Hα-helixtrans-67.8-43176.9167.20000111.5I65 S362 L363 L367 E368 V369I65-V365 HydrophobicContact CB-CG2 3.72Å; I65-V365 HydrophobicContact CG1-CG2 3.4Å; I65-V365 HydrophobicContact CG2-CG2 3.67Å; S362-V365 PolarHBondContact O-N 2.84Å; L363-V365 PolarHBondContact O-N 3.24Å; V365-L367 VanDerWaalsContact C-N 3.29Å; V365-L367 PolarHBondContact O-N 3.39Å; V365-E368 PolarHBondContact O-N 3.38Å; V365-V369 HydrophobicContact CG1-CG2 4.02Å; V365-V369 WeakPolarHBondContact O-CB 3.44Å; V365-V369 VanDerWaalsContact O-CG2 3.3Å; V365-V369 WeakPolarHBondContact O-CG2 2.98Å; V365-V369 PolarHBondContact O-N 3.27Å
366C86.6Confident84.4Confident14 Ų1416.8 Ų16.810%0.09510%0.096CC..Hα-helixtrans-58.2-45177.3-68.30000110.7S362 L363 V370S362-C366 WeakPolarHBondContact O-CB 3.26Å; S362-C366 PolarHBondContact O-N 3.06Å; S362-C366 PolarHBondContact O-SG 3.03Å; L363-C366 PolarHBondContact O-N 3.1Å; C366-V370 WeakPolarHBondContact O-CB 3.4Å; C366-V370 WeakPolarHBondContact O-CG2 3.45Å; C366-V370 PolarHBondContact O-N 3.05Å
367L87.4Confident85Confident6 Ų620.7 Ų20.73%0.03112%0.116CC..Hα-helixtrans-62.2-45.8176.8-68.7174.2000111.8L363 Q364 V365 V370 R371 L867 L870 I871L363-L367 HydrophobicContact CD1-CD1 3.91Å; L363-L367 HydrophobicContact CD1-CD2 4.28Å; L363-L367 HydrophobicContact CD1-CG 3.87Å; L363-L367 HydrophobicContact CG-CD1 3.87Å; L363-L367 HydrophobicContact CG-CG 4.26Å; L363-L367 WeakPolarHBondContact O-CB 3.26Å; L363-L367 VanDerWaalsContact O-CG 3.22Å; L363-L367 WeakPolarHBondContact O-CG 3.11Å; L363-L367 PolarHBondContact O-N 2.9Å; Q364-L367 PolarHBondContact O-N 3.37Å; V365-L367 VanDerWaalsContact C-N 3.29Å; V365-L367 PolarHBondContact O-N 3.39Å; L367-V370 PolarHBondContact O-N 3.39Å; L367-R371 VanDerWaalsContact O-CB 3.23Å; L367-R371 WeakPolarHBondContact O-CB 3.46Å; L367-R371 WeakPolarHBondContact O-CD 3.33Å; L367-R371 WeakPolarHBondContact O-CG 3.29Å; L367-R371 PolarHBondContact O-N 3.35Å; L367-L867 HydrophobicContact CD2-CD1 3.32Å; L367-L867 HydrophobicContact CD2-CD2 4.46Å; L367-L867 HydrophobicContact CD2-CG 3.86Å; L367-L870 HydrophobicContact CD2-CD2 3.72Å; L367-L870 HydrophobicContact CG-CD2 4.37Å; L367-I871 HydrophobicContact CD1-CG1 4.41Å; L367-I871 HydrophobicContact CD2-CD1 4.08Å; L367-I871 HydrophobicContact CD2-CG1 3.68Å
368E84.4Confident85.8Confident4 Ų420.1 Ų20.12%0.01911%0.112CC..Hα-helixtrans-66.3-43-178.5-75.4-176.2-178.500113.2R32 S69 K72 Q364 V365 L372R32-E368 IonicContact CZ-OE1 3.61Å; R32-E368 IonicContact NH1-OE1 3.88Å; R32-E368 PolarHBondContact NH1-OE1 3.15Å; R32-E368 IonicContact NH2-OE1 3.78Å; S69-E368 WeakPolarHBondContact CA-OE2 3.39Å; S69-E368 VanDerWaalsContact CB-OE2 3.25Å; S69-E368 WeakPolarHBondContact CB-OE2 3.47Å; S69-E368 PolarHBondContact OG-OE2 3.42Å; K72-E368 HydrophobicContact CD-CB 4.29Å; Q364-E368 PolarHBondContact NE2-OE1 2.88Å; Q364-E368 WeakPolarHBondContact O-CG 3.42Å; Q364-E368 PolarHBondContact O-N 2.83Å; V365-E368 PolarHBondContact O-N 3.38Å; E368-L372 WeakPolarHBondContact O-CB 3.27Å; E368-L372 PolarHBondContact O-N 3.44Å
369V86.9Confident86.3Confident44 Ų4421.1 Ų21.127%0.26712%0.12SC..Hα-helixtrans-65.6-45.8176.1173.50000110.2V68 V365 R371 L372 V373 M918V68-V369 HydrophobicContact CG1-CG2 4.37Å; V365-V369 HydrophobicContact CG1-CG2 4.02Å; V365-V369 WeakPolarHBondContact O-CB 3.44Å; V365-V369 VanDerWaalsContact O-CG2 3.3Å; V365-V369 WeakPolarHBondContact O-CG2 2.98Å; V365-V369 PolarHBondContact O-N 3.27Å; V369-R371 PolarHBondContact O-N 3.49Å; V369-L372 PolarHBondContact O-N 3.19Å; V369-V373 HydrophobicContact CG1-CG2 4.42Å; V369-V373 WeakPolarHBondContact O-CG2 3.32Å; V369-V373 PolarHBondContact O-N 3.01Å; V369-M918 HydrophobicContact CG1-SD 4.27Å
370V91.5Very high87Confident0 Ų025.8 Ų25.80%015%0.152CC..Hα-helixtrans-62.4-45.9179167.10000111.1C366 L367 L372 V373 Q374 L867 L870 M918 G921 L922C366-V370 WeakPolarHBondContact O-CB 3.4Å; C366-V370 WeakPolarHBondContact O-CG2 3.45Å; C366-V370 PolarHBondContact O-N 3.05Å; L367-V370 PolarHBondContact O-N 3.39Å; V370-L372 VanDerWaalsContact C-N 3.34Å; V370-L372 PolarHBondContact O-N 2.98Å; V370-V373 PolarHBondContact O-N 3.42Å; V370-Q374 HydrophobicContact CG1-CG 4.23Å; V370-Q374 WeakPolarHBondContact O-CB 2.96Å; V370-Q374 WeakPolarHBondContact O-CG 3.38Å; V370-Q374 PolarHBondContact O-N 2.88Å; V370-L867 HydrophobicContact CG1-CD1 4.39Å; V370-L870 HydrophobicContact CB-CD1 4.31Å; V370-L870 HydrophobicContact CG1-CD1 4.33Å; V370-L870 HydrophobicContact CG2-CD1 3.76Å; V370-M918 HydrophobicContact CG2-CG 4.17Å; V370-G921 WeakPolarHBondContact CG1-O 3.32Å; V370-L922 HydrophobicContact CB-CD2 4.33Å; V370-L922 HydrophobicContact CG1-CD2 4.03Å; V370-L922 HydrophobicContact CG2-CD2 4.3Å; V370-L922 HydrophobicContact CG2-CG 4.17Å
371R91Very high87.7Confident2 Ų226.9 Ų26.91%0.00816%0.158CC..Hα-helixtrans-59.5-43175.5-78.8165.6170.5174.57.6111.8E248 L367 V369 A375 S398 N401 E402E248-R371 IonicContact OE2-CZ 3.8Å; E248-R371 IonicContact OE2-NH1 3.72Å; E248-R371 PolarHBondContact OE2-NH1 3.47Å; E248-R371 IonicContact OE2-NH2 3.11Å; L367-R371 VanDerWaalsContact O-CB 3.23Å; L367-R371 WeakPolarHBondContact O-CB 3.46Å; L367-R371 WeakPolarHBondContact O-CD 3.33Å; L367-R371 WeakPolarHBondContact O-CG 3.29Å; L367-R371 PolarHBondContact O-N 3.35Å; V369-R371 PolarHBondContact O-N 3.49Å; R371-A375 WeakPolarHBondContact O-CB 3.27Å; R371-A375 PolarHBondContact O-N 3.01Å; R371-S398 WeakPolarHBondContact CB-O 3.29Å; R371-N401 PolarHBondContact O-ND2 2.73Å; R371-E402 IonicContact CZ-OE1 3.88Å; R371-E402 IonicContact NE-OE1 3.62Å; R371-E402 PolarHBondContact NE-OE1 3.31Å; R371-E402 VanDerWaalsContact NE-OE1 3.13Å; R371-E402 IonicContact NE-OE2 3.52Å; R371-E402 PolarHBondContact NE-OE2 2.64Å; R371-E402 IonicContact NH2-OE1 3.29Å; R371-E402 PolarHBondContact NH2-OE1 2.89Å
372L89.3Confident88.6Confident39 Ų3932.8 Ų32.820%0.20419%0.189CC..Hα-helixtrans-63.8-47.1177.4-179.564.4000111.8E368 V369 V370 A375 L376E368-L372 WeakPolarHBondContact O-CB 3.27Å; E368-L372 PolarHBondContact O-N 3.44Å; V369-L372 PolarHBondContact O-N 3.19Å; V370-L372 VanDerWaalsContact C-N 3.34Å; V370-L372 PolarHBondContact O-N 2.98Å; L372-A375 WeakPolarHBondContact O-CB 3.2Å; L372-A375 PolarHBondContact O-N 3.03Å; L372-L376 WeakPolarHBondContact O-CG 3.46Å; L372-L376 PolarHBondContact O-N 3.44Å
373V91.5Very high89.1Confident45 Ų4537.1 Ų37.127%0.27321%0.211SC..Hα-helixtrans-68.4-39180175.90000111.2V369 V370 A375 L376 L377 L922V369-V373 HydrophobicContact CG1-CG2 4.42Å; V369-V373 WeakPolarHBondContact O-CG2 3.32Å; V369-V373 PolarHBondContact O-N 3.01Å; V370-V373 PolarHBondContact O-N 3.42Å; V373-A375 VanDerWaalsContact C-N 3.3Å; V373-A375 PolarHBondContact O-N 2.89Å; V373-L376 PolarHBondContact O-N 2.97Å; V373-L376 VanDerWaalsContact O-N 3.16Å; V373-L377 HydrophobicContact CG1-CD1 4.17Å; V373-L377 HydrophobicContact CG1-CG 4.3Å; V373-L377 WeakPolarHBondContact O-CG 3.34Å; V373-L377 PolarHBondContact O-N 3.01Å; V373-L922 HydrophobicContact CB-CD1 4.42Å; V373-L922 HydrophobicContact CB-CD2 3.67Å; V373-L922 HydrophobicContact CG1-CD1 4.08Å; V373-L922 HydrophobicContact CG1-CD2 3.61Å; V373-L922 HydrophobicContact CG1-CG 4.47Å
374Q92.9Very high89.5Confident3 Ų337 Ų371%0.01421%0.21CC..Hα-helixtrans-58.4-41.7172-76.2174.1-6.500111.8V370 L376 L377 L378 N401 G921 L922V370-Q374 HydrophobicContact CG1-CG 4.23Å; V370-Q374 WeakPolarHBondContact O-CB 2.96Å; V370-Q374 WeakPolarHBondContact O-CG 3.38Å; V370-Q374 PolarHBondContact O-N 2.88Å; Q374-L376 VanDerWaalsContact C-N 3.35Å; Q374-L377 PolarHBondContact O-N 3.37Å; Q374-L378 WeakPolarHBondContact O-CB 3.41Å; Q374-L378 PolarHBondContact O-N 3.37Å; Q374-N401 WeakPolarHBondContact CB-ND2 3.25Å; Q374-G921 PolarHBondContact NE2-O 3.42Å; Q374-L922 HydrophobicContact CG-CD2 4.19Å
375A91.2Very high90.1Very high6 Ų640.2 Ų40.25%0.0522%0.222CC..Hα-helixtrans-63.9-38.6175.400000112.1R371 L372 V373 S379 A395 N401R371-A375 WeakPolarHBondContact O-CB 3.27Å; R371-A375 PolarHBondContact O-N 3.01Å; L372-A375 WeakPolarHBondContact O-CB 3.2Å; L372-A375 PolarHBondContact O-N 3.03Å; V373-A375 VanDerWaalsContact C-N 3.3Å; V373-A375 PolarHBondContact O-N 2.89Å; A375-S379 PolarHBondContact O-N 3.48Å; A375-S379 VanDerWaalsContact O-N 3.11Å; A375-S379 PolarHBondContact O-OG 3.42Å; A375-S379 VanDerWaalsContact O-OG 3.09Å; A375-A395 HydrophobicContact CB-CB 3.67Å; A375-N401 PolarHBondContact N-ND2 3.41Å
376L90.6Very high90.6Very high68 Ų6839 Ų3936%0.35621%0.214SC..Hα-helixtrans-67.4-43174.5-67.9172000112.3L372 V373 Q374 L378 S379 C380L372-L376 WeakPolarHBondContact O-CG 3.46Å; L372-L376 PolarHBondContact O-N 3.44Å; V373-L376 PolarHBondContact O-N 2.97Å; V373-L376 VanDerWaalsContact O-N 3.16Å; Q374-L376 VanDerWaalsContact C-N 3.35Å; L376-L378 VanDerWaalsContact C-N 3.29Å; L376-L378 PolarHBondContact O-N 2.97Å; L376-S379 PolarHBondContact O-N 3.16Å; L376-C380 PolarHBondContact O-N 3.38Å; L376-C380 PolarHBondContact O-SG 3.43Å
377L91.6Very high90.7Very high84 Ų8442.2 Ų42.244%0.4424%0.237SC..Hα-helixtrans-62.8-37.7177.1-70.9173.6000111.8V373 Q374 C380 D381V373-L377 HydrophobicContact CG1-CD1 4.17Å; V373-L377 HydrophobicContact CG1-CG 4.3Å; V373-L377 WeakPolarHBondContact O-CG 3.34Å; V373-L377 PolarHBondContact O-N 3.01Å; Q374-L377 PolarHBondContact O-N 3.37Å; L377-C380 PolarHBondContact O-N 3.34Å; L377-D381 PolarHBondContact O-N 3.3Å
378L92Very high90.6Very high2 Ų248.6 Ų48.61%0.0127%0.271CS..Hα-helixtrans-61.3-47172.7-176.7161.5000110.8Q374 L376 C380 D381 M384 A393 A395 Y844 L855Q374-L378 WeakPolarHBondContact O-CB 3.41Å; Q374-L378 PolarHBondContact O-N 3.37Å; L376-L378 VanDerWaalsContact C-N 3.29Å; L376-L378 PolarHBondContact O-N 2.97Å; L378-C380 PolarHBondContact O-N 3.45Å; L378-D381 WeakPolarHBondContact O-CB 3.4Å; L378-D381 PolarHBondContact O-N 3Å; L378-M384 HydrophobicContact CD2-CE 4.08Å; L378-M384 HydrophobicContact CG-CE 3.94Å; L378-A393 HydrophobicContact CD2-CB 4.13Å; L378-A395 HydrophobicContact CD2-CB 4.39Å; L378-Y844 HydrophobicContact CD1-CD1 4.27Å; L378-Y844 HydrophobicContact CD1-CE1 4.01Å; L378-L855 HydrophobicContact CD1-CD1 3.55Å; L378-L855 HydrophobicContact CD2-CD1 4.38Å; L378-L855 HydrophobicContact CG-CD1 4.18Å
379S90.1Very high90.5Very high32 Ų3250.3 Ų50.322%0.22428%0.284CS..Hα-helixtrans-70-16.3-179.9-54.40000114.5A375 L376 A393 A395A375-S379 PolarHBondContact O-N 3.48Å; A375-S379 VanDerWaalsContact O-N 3.11Å; A375-S379 PolarHBondContact O-OG 3.42Å; A375-S379 VanDerWaalsContact O-OG 3.09Å; L376-S379 PolarHBondContact O-N 3.16Å; S379-A393 WeakPolarHBondContact CA-O 3.49Å; S379-A393 WeakPolarHBondContact CB-O 3.45Å; S379-A393 PolarHBondContact OG-O 3.26Å; S379-A395 PolarHBondContact OG-N 3.42Å
380C91.7Very high90.5Very high100 Ų10053.6 Ų53.668%0.67630%0.3SS*.THydrogen-bonded Turntrans-96.47176.1-59.90000112.9L376 L377 L378 L382L376-C380 PolarHBondContact O-N 3.38Å; L376-C380 PolarHBondContact O-SG 3.43Å; L377-C380 PolarHBondContact O-N 3.34Å; L378-C380 PolarHBondContact O-N 3.45Å; C380-L382 PolarHBondContact O-N 3.48Å
381D93.8Very high90.2Very high28 Ų2855 Ų5515%0.1531%0.309CS..  trans-79.2109.8-179.6-169.8-3.1000111.1L377 L378 D383 M384 K854 H859L377-D381 PolarHBondContact O-N 3.3Å; L378-D381 WeakPolarHBondContact O-CB 3.4Å; L378-D381 PolarHBondContact O-N 3Å; D381-D383 PolarHBondContact O-N 3.13Å; D381-D383 PolarHBondContact OD1-N 3.01Å; D381-M384 HydrophobicContact CB-CE 3.75Å; D381-M384 PolarHBondContact O-N 2.93Å; D381-M384 VanDerWaalsContact O-N 3.08Å; D381-K854 VanDerWaalsContact CG-NZ 3.26Å; D381-K854 IonicContact OD1-NZ 2.75Å; D381-K854 PolarHBondContact OD1-NZ 3.31Å; D381-K854 VanDerWaalsContact OD2-CE 3.26Å; D381-K854 WeakPolarHBondContact OD2-CE 3.28Å; D381-K854 IonicContact OD2-NZ 2.67Å; D381-K854 PolarHBondContact OD2-NZ 2.95Å; D381-H859 IonicContact OD2-CD2 3.5Å; D381-H859 IonicContact OD2-CE1 3.42Å; D381-H859 IonicContact OD2-NE2 3.79Å; D381-H859 PolarHBondContact OD2-NE2 2.92Å
382L93.2Very high90.2Very high141 Ų14157.6 Ų57.674%0.73833%0.326SS*.G310 helixtrans-63.5-26.1-178.3-66.8174.6000113.4C380 M384 Y385C380-L382 PolarHBondContact O-N 3.48Å; L382-M384 PolarHBondContact O-N 3.15Å; L382-Y385 WeakPolarHBondContact O-CB 3.5Å; L382-Y385 PolarHBondContact O-N 2.83Å
383D91.8Very high90.3Very high107 Ų10755.9 Ų55.957%0.57232%0.317SS*.G310 helixtrans-75.4-8.5177.8-59.7-26.1000112.5D381 F851 K854D381-D383 PolarHBondContact O-N 3.13Å; D381-D383 PolarHBondContact OD1-N 3.01Å; D383-F851 WeakPolarHBondContact O-CD1 3.4Å; D383-F851 WeakPolarHBondContact O-CE1 3.45Å; D383-K854 HydrophobicContact CB-CD 3.9Å; D383-K854 VanDerWaalsContact CB-NZ 3.28Å; D383-K854 VanDerWaalsContact CG-NZ 3.33Å; D383-K854 IonicContact OD2-NZ 2.71Å; D383-K854 PolarHBondContact OD2-NZ 3.41Å
384M92.3Very high90.1Very high0 Ų057.7 Ų57.70%032%0.323CS..G310 helixtrans-113.122.4173.9-58.8-169.2-61.900112.1L378 D381 L382 A393 F851 K854 L855 H859L378-M384 HydrophobicContact CD2-CE 4.08Å; L378-M384 HydrophobicContact CG-CE 3.94Å; D381-M384 HydrophobicContact CB-CE 3.75Å; D381-M384 PolarHBondContact O-N 2.93Å; D381-M384 VanDerWaalsContact O-N 3.08Å; L382-M384 PolarHBondContact O-N 3.15Å; M384-A393 HydrophobicContact CB-CB 3.81Å; M384-A393 HydrophobicContact CE-CB 4.16Å; M384-A393 PolarHBondContact O-N 3.38Å; M384-A393 VanDerWaalsContact O-N 3.13Å; M384-F851 HydrophobicContact CB-CB 4.37Å; M384-F851 HydrophobicContact CB-CD1 4.29Å; M384-F851 HydrophobicContact CB-CG 4.27Å; M384-F851 HydrophobicContact CG-CB 4.28Å; M384-F851 HydrophobicContact CG-CD1 4.37Å; M384-F851 HydrophobicContact CG-CG 4.5Å; M384-K854 HydrophobicContact CG-CB 4.43Å; M384-K854 HydrophobicContact CG-CD 4.21Å; M384-K854 HydrophobicContact SD-CB 4.34Å; M384-L855 HydrophobicContact SD-CB 4.18Å; M384-H859 WeakPolarHBondContact CE-NE2 3.29Å
385Y92.3Very high89.9Confident88 Ų8858 Ų5835%0.34533%0.326SS..EExtended strand (participates in β ladder)trans-101.4134171.7170.3-102.2000109.6L382 D390 P392L382-Y385 WeakPolarHBondContact O-CB 3.5Å; L382-Y385 PolarHBondContact O-N 2.83Å; Y385-D390 WeakPolarHBondContact CE2-OD1 3.41Å; Y385-D390 PolarHBondContact OH-OD1 2.99Å; Y385-P392 HydrophobicContact CD2-CB 4.22Å
386D89.9Confident89.6Confident5 Ų559.8 Ų59.83%0.02733%0.332CS..EExtended strand (participates in β ladder)trans-102119.3175-153.442.2000110.5D388 S389 D390 T391 A847 Q848 R850 F851D386-D388 VanDerWaalsContact C-N 3.31Å; D386-D388 PolarHBondContact O-N 3.23Å; D386-S389 PolarHBondContact OD2-OG 3.28Å; D386-D390 WeakPolarHBondContact O-CA 3.11Å; D386-D390 PolarHBondContact O-N 3.25Å; D386-D390 VanDerWaalsContact O-N 3.1Å; D386-T391 PolarHBondContact N-O 2.5Å; D386-T391 PolarHBondContact O-N 3.13Å; D386-A847 HydrophobicContact CB-CB 3.47Å; D386-A847 VanDerWaalsContact CB-CB 3.47Å; D386-Q848 VanDerWaalsContact OD1-CD 3.28Å; D386-Q848 PolarHBondContact OD1-NE2 3.17Å; D386-Q848 PolarHBondContact OD2-NE2 3.29Å; D386-R850 IonicContact OD1-NH2 3.78Å; D386-R850 PolarHBondContact OD1-NH2 3.02Å; D386-R850 VanDerWaalsContact OD1-NH2 3.11Å; D386-F851 HydrophobicContact CB-CE2 4.02Å; D386-F851 HydrophobicContact CB-CZ 4.25Å
387S89.8Confident89.4Confident83 Ų8357.1 Ų57.158%0.5832%0.318SS*.THydrogen-bonded Turntrans-67.4-32.2-179.551.40000112.9
388D85.6Confident89.1Confident140 Ų14053.2 Ų53.275%0.74930%0.298SS*.THydrogen-bonded Turntrans-76.4-36.5-169.8-60.4-12000111.5D386D386-D388 VanDerWaalsContact C-N 3.31Å; D386-D388 PolarHBondContact O-N 3.23Å
389S82Confident88.8Confident40 Ų4053.7 Ų53.728%0.2830%0.3SS..THydrogen-bonded Turntrans-101.3-3.3177.352.80000114.3D386 T391D386-S389 PolarHBondContact OD2-OG 3.28Å; S389-T391 VanDerWaalsContact C-N 3.26Å; S389-T391 PolarHBondContact O-N 3.01Å; S389-T391 PolarHBondContact OG-OG1 2.93Å
390D87Confident88.8Confident112 Ų11252.2 Ų52.260%0.59929%0.29SS*.THydrogen-bonded Turntrans50.443.8-173.1-169.129.9000112.8Y385 D386Y385-D390 WeakPolarHBondContact CE2-OD1 3.41Å; Y385-D390 PolarHBondContact OH-OD1 2.99Å; D386-D390 WeakPolarHBondContact O-CA 3.11Å; D386-D390 PolarHBondContact O-N 3.25Å; D386-D390 VanDerWaalsContact O-N 3.1Å
391T84.9Confident88.8Confident31 Ų3147.4 Ų47.419%0.1926%0.258CS..EExtended strand (participates in β ladder)trans-119.4116.2-176.846.60000111.5D386 S389 A847D386-T391 PolarHBondContact N-O 2.5Å; D386-T391 PolarHBondContact O-N 3.13Å; S389-T391 VanDerWaalsContact C-N 3.26Å; S389-T391 PolarHBondContact O-N 3.01Å; S389-T391 PolarHBondContact OG-OG1 2.93Å; T391-A847 WeakPolarHBondContact OG1-CB 3.38Å
392P90.3Very high88.6Confident56 Ų5646.1 Ų46.136%0.36425%0.251SS..EExtended strand (participates in β ladder)trans-77.8157.3170.332.2-33.8000110.9Y385 M394Y385-P392 HydrophobicContact CD2-CB 4.22Å; P392-M394 HydrophobicContact CG-CG 4.37Å; P392-M394 PolarHBondContact O-N 2.93Å
393A91Very high88.6Confident2 Ų239.4 Ų39.42%0.01722%0.216CC..  trans-59.5136.7162.900000110.1L378 S379 M384 A845 I846L378-A393 HydrophobicContact CD2-CB 4.13Å; S379-A393 WeakPolarHBondContact CA-O 3.49Å; S379-A393 WeakPolarHBondContact CB-O 3.45Å; S379-A393 PolarHBondContact OG-O 3.26Å; M384-A393 HydrophobicContact CB-CB 3.81Å; M384-A393 HydrophobicContact CE-CB 4.16Å; M384-A393 PolarHBondContact O-N 3.38Å; M384-A393 VanDerWaalsContact O-N 3.13Å; A393-A845 CarbonylContact C-O 3.58Å; A393-A845 WeakPolarHBondContact CA-O 3.26Å; A393-I846 HydrophobicContact CB-CG2 4.21Å
394M88.7Confident88.7Confident84 Ų8434.3 Ų34.341%0.41419%0.189SC..EExtended strand (participates in β ladder)trans-130.7121.6-179.1-66.5-176.268.300111.2P392 Y844 A845P392-M394 HydrophobicContact CG-CG 4.37Å; P392-M394 PolarHBondContact O-N 2.93Å; M394-Y844 CarbonylContact O-C 3.54Å; M394-Y844 WeakPolarHBondContact O-CA 3.34Å; M394-A845 HydrophobicContact CB-CB 4.39Å; M394-A845 PolarHBondContact N-O 3.22Å; M394-A845 PolarHBondContact O-N 3.2Å
395A88.9Confident88.7Confident9 Ų934.3 Ų34.37%0.07419%0.189CC..EExtended strand (participates in β ladder)trans-84.1112.2167.100000110.8A375 L378 S379 Y844A375-A395 HydrophobicContact CB-CB 3.67Å; L378-A395 HydrophobicContact CD2-CB 4.39Å; S379-A395 PolarHBondContact OG-N 3.42Å; A395-Y844 HydrophobicContact CB-CD1 3.81Å; A395-Y844 HydrophobicContact CB-CE1 3.7Å
396R84.2Confident88.7Confident44 Ų4430.7 Ų30.717%0.16618%0.175CC..SBendtrans-93.5-25.7179-67.4-178.5169.1-126.73.8113.4A839 C840 S842 D843R396-A839 WeakPolarHBondContact CD-O 3.23Å; R396-A839 VanDerWaalsContact CZ-O 3.23Å; R396-A839 PolarHBondContact NE-O 3.45Å; R396-C840 PolarHBondContact NH1-O 3.49Å; R396-S842 WeakPolarHBondContact CD-O 3.44Å; R396-D843 WeakPolarHBondContact CA-O 3.4Å; R396-D843 WeakPolarHBondContact CB-O 3.38Å; R396-D843 PolarHBondContact N-O 3.31Å
397T85.2Confident88.9Confident11 Ų1130.4 Ų30.47%0.06717%0.173CC..  trans-120.6105.5173-56.70000108.7R80 N399 L400 D843R80-T397 PolarHBondContact NH2-OG1 2.63Å; T397-N399 VanDerWaalsContact C-N 3.31Å; T397-N399 PolarHBondContact O-N 2.66Å; T397-L400 HydrophobicContact CG2-CD1 3.88Å; T397-L400 HydrophobicContact CG2-CG 3.94Å; T397-D843 WeakPolarHBondContact CB-OD1 3.06Å; T397-D843 PolarHBondContact N-O 3.22Å; T397-D843 VanDerWaalsContact N-O 3.09Å; T397-D843 PolarHBondContact OG1-OD1 2.99Å
398S85.4Confident89Confident2 Ų231.1 Ų31.11%0.01416%0.163CC..G310 helixtrans-74.8-19.1-175.965.70000114.2K72 E76 R371 L400 N401K72-S398 WeakPolarHBondContact CE-OG 3.45Å; K72-S398 PolarHBondContact NZ-OG 2.88Å; E76-S398 VanDerWaalsContact OE1-CB 3.31Å; E76-S398 WeakPolarHBondContact OE1-CB 3.4Å; E76-S398 PolarHBondContact OE1-N 2.86Å; E76-S398 PolarHBondContact OE1-OG 2.82Å; R371-S398 WeakPolarHBondContact CB-O 3.29Å; S398-L400 PolarHBondContact O-N 2.62Å; S398-N401 PolarHBondContact O-ND2 2.75Å
399N85.7Confident89.5Confident12 Ų1225 Ų256%0.06413%0.13CC..G310 helixtrans-75.2-1.6-173.5-67.4-33000115.1K72 T397K72-N399 PolarHBondContact NZ-OD1 3.25Å; T397-N399 VanDerWaalsContact C-N 3.31Å; T397-N399 PolarHBondContact O-N 2.66Å
400L90Very high90.2Very high1 Ų123.1 Ų23.11%0.00512%0.117CC..G310 helixtrans-1158.4-173-57.2176000113.3K243 T397 S398 E402 E403 D843 Y844K243-L400 HydrophobicContact CB-CD1 3.97Å; K243-L400 HydrophobicContact CB-CD2 4.01Å; K243-L400 HydrophobicContact CD-CD1 3.94Å; T397-L400 HydrophobicContact CG2-CD1 3.88Å; T397-L400 HydrophobicContact CG2-CG 3.94Å; S398-L400 PolarHBondContact O-N 2.62Å; L400-E402 PolarHBondContact O-N 2.85Å; L400-E403 HydrophobicContact CB-CB 4.49Å; L400-E403 HydrophobicContact CB-CG 4.45Å; L400-E403 HydrophobicContact CD2-CG 4.15Å; L400-E403 WeakPolarHBondContact O-CB 3.46Å; L400-E403 PolarHBondContact O-N 3.28Å; L400-D843 HydrophobicContact CD1-CB 4.04Å; L400-D843 VanDerWaalsContact CD1-CG 3.47Å; L400-Y844 HydrophobicContact CB-CE2 4.46Å; L400-Y844 PolarHBondContact O-OH 3.08Å
401N92.1Very high90.6Very high0 Ų017.8 Ų17.80%09%0.088CC..THydrogen-bonded Turntrans-59.6-33.4-173.7-71.6-13.3000113.5R371 Q374 A375 S398 Y844 N863R371-N401 PolarHBondContact O-ND2 2.73Å; Q374-N401 WeakPolarHBondContact CB-ND2 3.25Å; A375-N401 PolarHBondContact N-ND2 3.41Å; S398-N401 PolarHBondContact O-ND2 2.75Å; N401-Y844 VanDerWaalsContact CA-OH 3.24Å; N401-Y844 WeakPolarHBondContact CA-OH 3.43Å; N401-Y844 PolarHBondContact N-OH 3.28Å; N401-Y844 VanDerWaalsContact N-OH 3.14Å; N401-Y844 PolarHBondContact OD1-OH 3.47Å; N401-N863 HydrophobicContact CB-CB 4.31Å; N401-N863 WeakPolarHBondContact O-CB 3.11Å
402E91.2Very high91.1Very high0 Ų016.3 Ų16.30%08%0.079CC..THydrogen-bonded Turntrans-77.2-26.1175.664.2-88.6-147.800113.7S245 V247 R371 L400 L404 G405 L867S245-E402 WeakPolarHBondContact CB-OE1 2.99Å; S245-E402 WeakPolarHBondContact OG-CG 3.23Å; S245-E402 PolarHBondContact OG-OE1 3.24Å; V247-E402 HydrophobicContact CB-CG 4.08Å; V247-E402 HydrophobicContact CG2-CB 4.48Å; V247-E402 HydrophobicContact CG2-CG 3.91Å; R371-E402 IonicContact CZ-OE1 3.88Å; R371-E402 IonicContact NE-OE1 3.62Å; R371-E402 PolarHBondContact NE-OE1 3.31Å; R371-E402 VanDerWaalsContact NE-OE1 3.13Å; R371-E402 IonicContact NE-OE2 3.52Å; R371-E402 PolarHBondContact NE-OE2 2.64Å; R371-E402 IonicContact NH2-OE1 3.29Å; R371-E402 PolarHBondContact NH2-OE1 2.89Å; L400-E402 PolarHBondContact O-N 2.85Å; E402-L404 PolarHBondContact O-N 3.26Å; E402-G405 PolarHBondContact O-N 3.21Å; E402-L867 HydrophobicContact CB-CB 4.47Å; E402-L867 HydrophobicContact CB-CD2 3.72Å; E402-L867 HydrophobicContact CG-CD2 3.58Å; E402-L867 VanDerWaalsContact OE1-CD2 3.27Å; E402-L867 WeakPolarHBondContact OE1-CD2 3.37Å
403E92.6Very high91.2Very high1 Ų113.7 Ų13.71%0.0056%0.062CC..G310 helixtrans-66.2-31.6178.4-68.3-68.3126.500111.1S245 T246 L400 G405 Q406 V807 V826S245-E403 WeakPolarHBondContact CA-OE1 3.36Å; S245-E403 VanDerWaalsContact CB-OE1 3.27Å; S245-E403 WeakPolarHBondContact CB-OE1 3.3Å; S245-E403 PolarHBondContact OG-OE1 3.26Å; T246-E403 WeakPolarHBondContact CB-OE1 3.39Å; T246-E403 PolarHBondContact N-OE1 3.35Å; T246-E403 PolarHBondContact OG1-OE1 3.26Å; L400-E403 HydrophobicContact CB-CB 4.49Å; L400-E403 HydrophobicContact CB-CG 4.45Å; L400-E403 HydrophobicContact CD2-CG 4.15Å; L400-E403 WeakPolarHBondContact O-CB 3.46Å; L400-E403 PolarHBondContact O-N 3.28Å; E403-G405 PolarHBondContact O-N 3.13Å; E403-Q406 PolarHBondContact O-N 2.83Å; E403-V807 HydrophobicContact CB-CG1 4.35Å; E403-V807 WeakPolarHBondContact OE2-CG2 3.15Å; E403-V826 HydrophobicContact CB-CG2 3.66Å
404L93.7Very high91.2Very high0 Ų013.6 Ų13.60%06%0.061CC..G310 helixtrans-57-19.8172.6-69.1174.5000112.9E402 L809 V826 Y844 L855 L856 Y939E402-L404 PolarHBondContact O-N 3.26Å; L404-L809 HydrophobicContact CD2-CD1 4.38Å; L404-V826 HydrophobicContact CD2-CG1 3.84Å; L404-Y844 HydrophobicContact CD1-CE1 3.9Å; L404-Y844 HydrophobicContact CD1-CE2 3.88Å; L404-Y844 HydrophobicContact CD2-CD2 4.21Å; L404-Y844 HydrophobicContact CD2-CE2 3.93Å; L404-Y844 HydrophobicContact CG-CE2 3.95Å; L404-L855 HydrophobicContact CD1-CD1 3.78Å; L404-L855 HydrophobicContact CD1-CG 4.19Å; L404-L855 HydrophobicContact CD2-CG 4.39Å; L404-L856 HydrophobicContact CB-CD2 4.16Å; L404-L856 HydrophobicContact CD2-CD2 3.71Å; L404-L856 WeakPolarHBondContact O-CD2 3.43Å; L404-Y939 PolarHBondContact O-OH 3.46Å
405G91.8Very high91.1Very high0 Ų09.6 Ų9.60%04%0.041CC..G310 helixtrans-86.4-6.7175.600000114.9E402 E403 G860 T942E402-G405 PolarHBondContact O-N 3.21Å; E403-G405 PolarHBondContact O-N 3.13Å; G405-G860 VanDerWaalsContact CA-C 3.43Å; G405-G860 WeakPolarHBondContact CA-O 3.46Å; G405-T942 WeakPolarHBondContact O-CB 3.5Å; G405-T942 PolarHBondContact O-OG1 2.69Å
406Q92.3Very high90.9Very high11 Ų119.7 Ų9.75%0.0514%0.043CC..SBendtrans-121.24.2-172.8-66.3177.9-72.300113.7T246 E403 R408 V807 Y864 Y939 S945T246-Q406 PolarHBondContact OG1-OE1 3.07Å; E403-Q406 PolarHBondContact O-N 2.83Å; Q406-R408 PolarHBondContact O-N 3.32Å; Q406-V807 HydrophobicContact CB-CB 4.28Å; Q406-V807 HydrophobicContact CB-CG2 3.68Å; Q406-V807 WeakPolarHBondContact O-CB 3.38Å; Q406-Y864 HydrophobicContact CG-CD2 3.71Å; Q406-Y864 HydrophobicContact CG-CE2 3.67Å; Q406-Y864 HydrophobicContact CG-CG 4.48Å; Q406-Y939 PolarHBondContact N-OH 3.15Å; Q406-S945 PolarHBondContact NE2-OG 3.09Å
407V94.4Very high91.2Very high0 Ų07.6 Ų7.60%04%0.035CC..EExtended strand (participates in β ladder)trans-60.7127.4-177.4177.20000110.3I410 V807 L809 L856 Y939 Q943V407-I410 HydrophobicContact CG1-CG1 3.92Å; V407-V807 HydrophobicContact CG2-CG1 4.22Å; V407-L809 HydrophobicContact CG1-CB 3.58Å; V407-L809 HydrophobicContact CG1-CD1 4.37Å; V407-L809 HydrophobicContact CG2-CB 4.1Å; V407-L809 HydrophobicContact CG2-CD1 4.04Å; V407-L856 HydrophobicContact CB-CD2 4.36Å; V407-L856 HydrophobicContact CG2-CD2 3.92Å; V407-Y939 PolarHBondContact N-OH 2.85Å; V407-Y939 VanDerWaalsContact N-OH 3.12Å; V407-Y939 WeakPolarHBondContact O-CE1 3.31Å; V407-Q943 PolarHBondContact O-NE2 2.95Å
408R92.8Very high91.5Very high97 Ų977.2 Ų7.237%0.3663%0.032SC..EExtended strand (participates in β ladder)trans-115.3-32.4176.6-173.5175.4178.7-177.4-0.3113.2Q406 I690 S691 A806 V807Q406-R408 PolarHBondContact O-N 3.32Å; R408-I690 WeakPolarHBondContact O-CA 3.35Å; R408-S691 PolarHBondContact O-N 3.42Å; R408-A806 HydrophobicContact CB-CB 4.28Å; R408-V807 PolarHBondContact N-O 2.75Å
409Y94.6Very high91.8Very high13 Ų137.1 Ų7.15%0.0513%0.032CC..EExtended strand (participates in β ladder)trans-121.7130.5178.7-61.9-83.9000110S691 L777 V799 I803 A806 V807 T808 L809Y409-S691 WeakPolarHBondContact CA-O 3.47Å; Y409-L777 HydrophobicContact CE1-CD2 4.02Å; Y409-V799 HydrophobicContact CD2-CG1 4.32Å; Y409-V799 HydrophobicContact CG-CG1 4.42Å; Y409-I803 HydrophobicContact CE2-CD1 3.67Å; Y409-A806 HydrophobicContact CD2-CB 4.02Å; Y409-A806 HydrophobicContact CE2-CB 3.84Å; Y409-V807 PolarHBondContact N-O 3.11Å; Y409-T808 WeakPolarHBondContact O-CA 3.45Å; Y409-L809 PolarHBondContact O-N 3.35Å
410I96.5Very high91.8Very high0 Ų011.8 Ų11.80%05%0.049CC..EExtended strand (participates in β ladder)trans-112.6125.3172.7-66.6173000108.4V407 L685 I690 S691 I692 W693 L809 I811 L852 L856V407-I410 HydrophobicContact CG1-CG1 3.92Å; I410-L685 HydrophobicContact CD1-CD1 3.91Å; I410-L685 HydrophobicContact CD1-CD2 4.5Å; I410-I690 HydrophobicContact CB-CG2 4.34Å; I410-I690 HydrophobicContact CD1-CG2 3.51Å; I410-I690 HydrophobicContact CG1-CG2 3.58Å; I410-S691 PolarHBondContact N-O 2.82Å; I410-I692 HydrophobicContact CB-CG1 4.27Å; I410-I692 CarbonylContact O-C 3.52Å; I410-I692 WeakPolarHBondContact O-CA 3.34Å; I410-W693 PolarHBondContact O-N 3.35Å; I410-L809 CarbonylContact C-O 3.6Å; I410-L809 WeakPolarHBondContact CA-O 3.42Å; I410-L809 HydrophobicContact CG1-CB 4.23Å; I410-L809 HydrophobicContact CG1-CD2 4.16Å; I410-L809 HydrophobicContact CG2-CD2 4.03Å; I410-I811 HydrophobicContact CG2-CG2 4.15Å; I410-L852 HydrophobicContact CD1-CD2 4.2Å; I410-L856 HydrophobicContact CD1-CD1 3.91Å
411F96.8Very high91.4Very high0 Ų013.2 Ų13.20%06%0.056CC..EExtended strand (participates in β ladder)trans-100.3115168.9-57.4-82.8000108.2W693 L695 V796 V799 T808 L809 A810 I811 M820F411-W693 CarbonylContact C-O 3.6Å; F411-W693 WeakPolarHBondContact CA-O 3.33Å; F411-W693 HydrophobicContact CD1-CB 3.84Å; F411-W693 HydrophobicContact CD1-CD2 4.45Å; F411-W693 HydrophobicContact CD1-CE3 4.21Å; F411-W693 HydrophobicContact CD1-CG 4.37Å; F411-W693 HydrophobicContact CE1-CB 4.17Å; F411-W693 AromaticContact CE1-CD2 3.88Å; F411-W693 HydrophobicContact CE1-CD2 3.88Å; F411-W693 AromaticContact CE1-CE3 3.51Å; F411-W693 HydrophobicContact CE1-CE3 3.51Å; F411-W693 HydrophobicContact CE1-CG 4.21Å; F411-W693 HydrophobicContact CE1-CZ3 4.14Å; F411-W693 HydrophobicContact CZ-CE3 4.45Å; F411-L695 HydrophobicContact CB-CD1 4.2Å; F411-L695 HydrophobicContact CD1-CD1 3.92Å; F411-L695 HydrophobicContact CD1-CG 4.41Å; F411-L695 HydrophobicContact CG-CD1 4.43Å; F411-V796 HydrophobicContact CB-CG2 4.06Å; F411-V796 HydrophobicContact CD1-CG2 4.01Å; F411-V796 HydrophobicContact CD2-CB 4.42Å; F411-V796 HydrophobicContact CD2-CG1 4.2Å; F411-V796 HydrophobicContact CD2-CG2 3.64Å; F411-V796 HydrophobicContact CE1-CG2 4.37Å; F411-V796 HydrophobicContact CE2-CB 4.42Å; F411-V796 HydrophobicContact CE2-CG1 4.18Å; F411-V796 HydrophobicContact CE2-CG2 4.04Å; F411-V796 HydrophobicContact CG-CG2 3.62Å; F411-V796 HydrophobicContact CZ-CG2 4.39Å; F411-V799 HydrophobicContact CE1-CG2 4.26Å; F411-V799 HydrophobicContact CZ-CB 3.79Å; F411-V799 HydrophobicContact CZ-CG1 3.97Å; F411-V799 HydrophobicContact CZ-CG2 3.83Å; F411-T808 HydrophobicContact CE2-CG2 3.86Å; F411-L809 WeakPolarHBondContact CD2-O 3.2Å; F411-L809 PolarHBondContact N-O 2.98Å; F411-A810 HydrophobicContact CB-CB 4.39Å; F411-A810 CarbonylContact O-C 3.55Å; F411-A810 VanDerWaalsContact O-CA 3.29Å; F411-A810 WeakPolarHBondContact O-CA 3.38Å; F411-I811 PolarHBondContact O-N 2.83Å; F411-M820 HydrophobicContact CB-SD 4.07Å
412S95.1Very high91Very high0 Ų016.8 Ų16.80%08%0.078CC..EExtended strand (participates in β ladder)trans-112.6138.8-178-169.80000110.5T417 W693 V694 L695S412-T417 WeakPolarHBondContact OG-CG2 3.14Å; S412-W693 PolarHBondContact N-O 2.86Å; S412-V694 CarbonylContact O-C 3.52Å; S412-V694 WeakPolarHBondContact O-CA 3.47Å; S412-L695 PolarHBondContact O-N 2.97Å
413D92.3Very high90.9Very high0 Ų017.7 Ų17.70%08%0.082CC..  trans-74165158.4-168.552.2000111.2T415 T417 L418 K792 I811 D817D413-T415 PolarHBondContact OD2-N 3.22Å; D413-T417 WeakPolarHBondContact O-CB 3.44Å; D413-T417 WeakPolarHBondContact O-CG2 3.41Å; D413-L418 WeakPolarHBondContact O-CG 3.47Å; D413-K792 IonicContact OD1-NZ 2.83Å; D413-K792 PolarHBondContact OD1-NZ 3.39Å; D413-I811 PolarHBondContact N-O 3.38Å; D413-D817 WeakPolarHBondContact CB-OD2 3.3Å
414K90.8Very high90.7Very high0 Ų019.7 Ų19.70%09%0.092CC..SBendtrans-94.2-56.4177.3-171.9-144.478.9145.90111.4L418 T419 D672 V694 T696 D698 T702 I706K414-L418 PolarHBondContact O-N 3.01Å; K414-T419 HydrophobicContact CG-CG2 4.46Å; K414-T419 PolarHBondContact O-N 3.15Å; K414-T419 VanDerWaalsContact O-N 3.1Å; K414-T419 PolarHBondContact O-OG1 3.25Å; K414-D672 IonicContact NZ-OD2 3.23Å; K414-D672 PolarHBondContact NZ-OD2 3.06Å; K414-V694 HydrophobicContact CB-CG1 4.35Å; K414-T696 WeakPolarHBondContact CB-OG1 3.21Å; K414-D698 HydrophobicContact CD-CB 4.41Å; K414-D698 IonicContact NZ-OD2 2.72Å; K414-D698 PolarHBondContact NZ-OD2 2.72Å; K414-T702 HydrophobicContact CD-CG2 4.42Å; K414-I706 HydrophobicContact CD-CG1 3.98Å; K414-I706 HydrophobicContact CG-CB 4.35Å; K414-I706 HydrophobicContact CG-CG1 4.17Å; K414-I706 HydrophobicContact CG-CG2 3.99Å
415T86.5Confident90.6Very high1 Ų120 Ų201%0.0069%0.093CC..THydrogen-bonded Turntrans-77.5130.7-165.8-62.20000108.8G147 T149 D413 T417 T419 N421G147-T415 WeakPolarHBondContact O-CB 3.48Å; G147-T415 PolarHBondContact O-OG1 3.39Å; T149-T415 HydrophobicContact CG2-CG2 3.74Å; D413-T415 PolarHBondContact OD2-N 3.22Å; T415-T417 PolarHBondContact O-N 3.3Å; T415-T419 WeakPolarHBondContact CA-OG1 3.31Å; T415-N421 WeakPolarHBondContact CG2-OD1 3.42Å
416G84.2Confident90.4Very high10 Ų1020.6 Ų20.610%0.10310%0.096CC..THydrogen-bonded Turntrans62.3-13.2-175.200000116.4T419 N421 Q675 D813G416-T419 CarbonylContact C-O 3.4Å; G416-T419 VanDerWaalsContact CA-O 3.25Å; G416-T419 WeakPolarHBondContact CA-O 3.37Å; G416-T419 PolarHBondContact N-O 3.2Å; G416-T419 PolarHBondContact N-OG1 3.32Å; G416-N421 PolarHBondContact N-OD1 3.17Å; G416-Q675 PolarHBondContact O-NE2 3.09Å; G416-D813 VanDerWaalsContact CA-OD2 3.29Å; G416-D813 WeakPolarHBondContact CA-OD2 3.5Å
417T90.5Very high90.4Very high0 Ų021.5 Ų21.50%010%0.098CC..THydrogen-bonded Turntrans-95.4-56.7176.4-67.30000112.5S412 D413 T415 Q675 I811 G812 D813 I830 F849S412-T417 WeakPolarHBondContact OG-CG2 3.14Å; D413-T417 WeakPolarHBondContact O-CB 3.44Å; D413-T417 WeakPolarHBondContact O-CG2 3.41Å; T415-T417 PolarHBondContact O-N 3.3Å; T417-Q675 VanDerWaalsContact O-CD 3.24Å; T417-Q675 PolarHBondContact O-NE2 3.01Å; T417-I811 HydrophobicContact CG2-CG1 4.23Å; T417-I811 HydrophobicContact CG2-CG2 4.28Å; T417-G812 WeakPolarHBondContact OG1-CA 3.23Å; T417-D813 PolarHBondContact OG1-N 3.48Å; T417-I830 HydrophobicContact CG2-CD1 3.62Å; T417-F849 HydrophobicContact CG2-CD2 4.1Å
418L92.9Very high90.3Very high3 Ų321.5 Ų21.52%0.01610%0.098CC..THydrogen-bonded Turntrans-92.5-35.1175.2-62.5176.6000110.9D413 K414 L674 Q675 V678 I682 V694 I706 F849D413-L418 WeakPolarHBondContact O-CG 3.47Å; K414-L418 PolarHBondContact O-N 3.01Å; L418-L674 CarbonylContact O-C 3.55Å; L418-L674 WeakPolarHBondContact O-CA 3.49Å; L418-Q675 PolarHBondContact O-N 3.04Å; L418-V678 HydrophobicContact CD2-CG1 3.79Å; L418-I682 HydrophobicContact CD2-CD1 4.07Å; L418-V694 HydrophobicContact CD1-CG1 4.43Å; L418-V694 HydrophobicContact CD1-CG2 4.2Å; L418-I706 HydrophobicContact CD1-CG2 4.41Å; L418-F849 HydrophobicContact CD2-CD1 4.4Å; L418-F849 HydrophobicContact CD2-CD2 3.88Å; L418-F849 HydrophobicContact CD2-CE1 4.21Å; L418-F849 HydrophobicContact CD2-CE2 3.66Å; L418-F849 HydrophobicContact CD2-CG 4.25Å; L418-F849 HydrophobicContact CD2-CZ 3.85Å
419T90.6Very high90.3Very high0 Ų016.9 Ų16.90%08%0.081CC..EExtended strand (participates in β ladder)trans-98.2157.7178.760.50000111.5K414 T415 G416 N421 K673 L674 I706K414-T419 HydrophobicContact CG-CG2 4.46Å; K414-T419 PolarHBondContact O-N 3.15Å; K414-T419 VanDerWaalsContact O-N 3.1Å; K414-T419 PolarHBondContact O-OG1 3.25Å; T415-T419 WeakPolarHBondContact CA-OG1 3.31Å; G416-T419 CarbonylContact C-O 3.4Å; G416-T419 VanDerWaalsContact CA-O 3.25Å; G416-T419 WeakPolarHBondContact CA-O 3.37Å; G416-T419 PolarHBondContact N-O 3.2Å; G416-T419 PolarHBondContact N-OG1 3.32Å; T419-N421 PolarHBondContact OG1-OD1 2.8Å; T419-N421 VanDerWaalsContact OG1-OD1 3.05Å; T419-K673 CarbonylContact C-O 3.56Å; T419-K673 WeakPolarHBondContact CA-O 3.23Å; T419-L674 HydrophobicContact CG2-CD2 4.14Å; T419-I706 HydrophobicContact CG2-CD1 3.62Å; T419-I706 HydrophobicContact CG2-CG1 4.18Å
420R85.7Confident90.2Very high111 Ų11116.3 Ų16.342%0.4198%0.079SC..EExtended strand (participates in β ladder)trans-920.9170.1-60.9-176.4-167.1-161.31.9113V422 K673 L674 Q675 T676R420-V422 HydrophobicContact CB-CG2 4.4Å; R420-V422 PolarHBondContact O-N 3.44Å; R420-K673 PolarHBondContact N-O 3.39Å; R420-L674 PolarHBondContact NE-O 2.85Å; R420-Q675 HydrophobicContact CG-CB 4.43Å; R420-Q675 HydrophobicContact CG-CG 4.04Å; R420-T676 PolarHBondContact NH2-OG1 3.2Å
421N81.1Confident89.7Confident31 Ų3117 Ų1717%0.1669%0.085CC..EExtended strand (participates in β ladder)trans59.232-172.9-54.4-20.5000113.4T415 G416 T419 E834T415-N421 WeakPolarHBondContact CG2-OD1 3.42Å; G416-N421 PolarHBondContact N-OD1 3.17Å; T419-N421 PolarHBondContact OG1-OD1 2.8Å; T419-N421 VanDerWaalsContact OG1-OD1 3.05Å; N421-E834 PolarHBondContact ND2-OE1 2.8Å; N421-E834 VanDerWaalsContact ND2-OE1 3.08Å; N421-E834 PolarHBondContact ND2-OE2 2.85Å
422V85.4Confident89.2Confident75 Ų7517.7 Ų17.746%0.4559%0.093SC..EExtended strand (participates in β ladder)trans-117.8118.4177.11790000109.1R420 K673R420-V422 HydrophobicContact CB-CG2 4.4Å; R420-V422 PolarHBondContact O-N 3.44Å; V422-K673 HydrophobicContact CB-CB 4.46Å; V422-K673 VanDerWaalsContact O-CB 3.27Å; V422-K673 WeakPolarHBondContact O-CB 3.48Å; V422-K673 PolarHBondContact O-N 2.56Å
423M88.5Confident89Confident19 Ų1921.3 Ų21.39%0.09411%0.112CC..EExtended strand (participates in β ladder)trans-89.5124174.2-58.2-57.2168.900109.9P517 A521 R616 I670 E671 D672M423-P517 HydrophobicContact CB-CB 4.4Å; M423-P517 HydrophobicContact CE-CG 4.13Å; M423-P517 HydrophobicContact CG-CB 3.68Å; M423-P517 HydrophobicContact CG-CG 3.93Å; M423-A521 HydrophobicContact CB-CB 3.99Å; M423-A521 WeakPolarHBondContact O-CB 3.48Å; M423-R616 VanDerWaalsContact CE-CZ 3.46Å; M423-R616 VanDerWaalsContact CE-NH2 3.26Å; M423-I670 HydrophobicContact CB-CG2 3.85Å; M423-E671 WeakPolarHBondContact CA-O 3.42Å; M423-D672 HydrophobicContact CE-CB 4.11Å; M423-D672 HydrophobicContact SD-CB 3.64Å
424E88.5Confident88.8Confident43 Ų4322.6 Ų22.620%0.20112%0.118CC..EExtended strand (participates in β ladder)trans-121.4132.2-177.9-170.1170.7175.200110.5K426 N443 I670 E671 K673E424-K426 PolarHBondContact O-N 3.3Å; E424-K426 VanDerWaalsContact O-N 3.14Å; E424-N443 PolarHBondContact OE1-ND2 2.79Å; E424-I670 CarbonylContact O-C 3.56Å; E424-I670 WeakPolarHBondContact O-CA 3.35Å; E424-E671 PolarHBondContact N-O 3.38Å; E424-E671 PolarHBondContact O-N 3.46Å; E424-K673 IonicContact OE2-NZ 2.88Å; E424-K673 PolarHBondContact OE2-NZ 3.12Å
425F91Very high88.7Confident7 Ų722.7 Ų22.73%0.03112%0.119CC..EExtended strand (participates in β ladder)trans-74.4104.6175.8-174.1-88.8000109.6C428 A444 L445 L468 L522 A525 T668F425-C428 HydrophobicContact CE1-CB 4.02Å; F425-C428 HydrophobicContact CZ-CB 3.64Å; F425-A444 HydrophobicContact CE1-CB 4.42Å; F425-L445 HydrophobicContact CD1-CD2 4.42Å; F425-L445 HydrophobicContact CD1-CG 4.34Å; F425-L468 HydrophobicContact CE2-CD1 4.44Å; F425-L522 HydrophobicContact CD2-CD2 3.91Å; F425-L522 HydrophobicContact CE2-CD2 3.94Å; F425-A525 HydrophobicContact CB-CB 3.68Å; F425-A525 HydrophobicContact CD1-CB 3.95Å; F425-A525 HydrophobicContact CD2-CB 3.93Å; F425-A525 HydrophobicContact CE2-CB 4.49Å; F425-A525 HydrophobicContact CG-CB 3.59Å; F425-T668 HydrophobicContact CE2-CG2 3.67Å; F425-T668 HydrophobicContact CZ-CG2 4.26Å
426K88.3Confident88.4Confident12 Ų1222.8 Ų22.85%0.05212%0.119CC..EExtended strand (participates in β ladder)trans-96.4-53.3-168.6-166.365.2174.8-174.50113E424 E440 D441 S442 N443 A444 L615 A669 E671E424-K426 PolarHBondContact O-N 3.3Å; E424-K426 VanDerWaalsContact O-N 3.14Å; K426-E440 WeakPolarHBondContact CE-O 3.25Å; K426-D441 PolarHBondContact NZ-O 2.84Å; K426-S442 VanDerWaalsContact CE-O 3.23Å; K426-S442 WeakPolarHBondContact CE-O 3.31Å; K426-N443 WeakPolarHBondContact CD-OD1 3.39Å; K426-N443 WeakPolarHBondContact CE-OD1 3.34Å; K426-N443 PolarHBondContact NZ-OD1 3.07Å; K426-A444 VanDerWaalsContact O-CB 3.28Å; K426-A444 WeakPolarHBondContact O-CB 3.3Å; K426-A444 PolarHBondContact O-N 3.14Å; K426-L615 HydrophobicContact CB-CD2 4.15Å; K426-L615 HydrophobicContact CG-CD2 4.29Å; K426-A669 PolarHBondContact N-O 3.45Å; K426-E671 HydrophobicContact CB-CB 4.09Å; K426-E671 WeakPolarHBondContact CD-OE2 3.4Å
427R90.8Very high87.7Confident29 Ų2926.9 Ų26.911%0.10914%0.139CC..EExtended strand (participates in β ladder)trans-133.9159.9-176.4-60.8-175.7177.5153.80.8111.6G436 F610 L615 A669R427-G436 PolarHBondContact NE-O 3Å; R427-F610 HydrophobicContact CB-CD1 4.21Å; R427-F610 HydrophobicContact CB-CE1 3.61Å; R427-F610 HydrophobicContact CB-CZ 3.92Å; R427-F610 HydrophobicContact CG-CE1 4.29Å; R427-L615 HydrophobicContact CB-CD1 4.46Å; R427-L615 HydrophobicContact CG-CD1 4.25Å; R427-A669 HydrophobicContact CB-CB 3.95Å; R427-A669 PolarHBondContact N-O 3.39Å; R427-A669 WeakPolarHBondContact O-CA 3.41Å; R427-A669 WeakPolarHBondContact O-CB 3.44Å; R427-A669 PolarHBondContact O-N 3.48Å
428C92.2Very high86.5Confident0 Ų029.4 Ų29.40%017%0.165CC..EExtended strand (participates in β ladder)trans-147.2154.4168.961.40000111.7F425 I430 Y435 F464 A667F425-C428 HydrophobicContact CE1-CB 4.02Å; F425-C428 HydrophobicContact CZ-CB 3.64Å; C428-I430 HydrophobicContact CB-CG1 4.39Å; C428-Y435 PolarHBondContact N-O 3.46Å; C428-Y435 PolarHBondContact O-N 2.85Å; C428-F464 HydrophobicContact CB-CE1 4.4Å; C428-F464 HydrophobicContact CB-CZ 4.3Å; C428-A667 CarbonylContact C-O 3.52Å; C428-A667 WeakPolarHBondContact CA-O 3.2Å
429S92.8Very high85Confident0 Ų034.2 Ų34.20%020%0.195CC..EExtended strand (participates in β ladder)trans-112.5117.9168.6178.10000107.2I433 H606 G666 A667S429-I433 CarbonylContact C-O 3.55Å; S429-I433 VanDerWaalsContact CA-O 3.3Å; S429-I433 WeakPolarHBondContact CA-O 3.38Å; S429-H606 PolarHBondContact OG-ND1 3.36Å; S429-G666 CarbonylContact O-C 3.4Å; S429-G666 WeakPolarHBondContact O-CA 3.16Å; S429-A667 PolarHBondContact N-O 2.84Å; S429-A667 PolarHBondContact O-N 2.9Å
430I92.6Very high83.5Confident2 Ų242.7 Ų42.71%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-129.3124178.4-49.2172000108.4C428 G432 I433 Y435 L450 V461 F464 F465C428-I430 HydrophobicContact CB-CG1 4.39Å; I430-G432 VanDerWaalsContact C-N 3.26Å; I430-G432 PolarHBondContact O-N 2.9Å; I430-I433 PolarHBondContact N-O 2.85Å; I430-I433 PolarHBondContact O-N 3.14Å; I430-I433 VanDerWaalsContact O-N 3.16Å; I430-Y435 HydrophobicContact CB-CD2 4.49Å; I430-Y435 HydrophobicContact CB-CE2 3.84Å; I430-Y435 HydrophobicContact CD1-CD2 4.46Å; I430-Y435 HydrophobicContact CD1-CE2 4.35Å; I430-Y435 HydrophobicContact CG1-CD2 4.37Å; I430-Y435 HydrophobicContact CG1-CE2 4.18Å; I430-L450 HydrophobicContact CD1-CD1 4Å; I430-V461 HydrophobicContact CG2-CG2 4.13Å; I430-F464 HydrophobicContact CD1-CB 4.42Å; I430-F464 HydrophobicContact CD1-CD1 3.48Å; I430-F464 VanDerWaalsContact CD1-CD1 3.48Å; I430-F464 HydrophobicContact CD1-CE1 3.74Å; I430-F464 HydrophobicContact CD1-CG 3.94Å; I430-F464 HydrophobicContact CD1-CZ 4.4Å; I430-F464 HydrophobicContact CG1-CD1 3.84Å; I430-F464 HydrophobicContact CG1-CD2 4.11Å; I430-F464 HydrophobicContact CG1-CE1 3.88Å; I430-F464 HydrophobicContact CG1-CE2 4.15Å; I430-F464 HydrophobicContact CG1-CG 3.93Å; I430-F464 HydrophobicContact CG1-CZ 4.02Å; I430-F464 HydrophobicContact CG2-CB 4.07Å; I430-F464 HydrophobicContact CG2-CD2 4.42Å; I430-F464 HydrophobicContact CG2-CG 4.22Å; I430-F465 HydrophobicContact CD1-CE2 4.24Å
431G87.8Confident82.3Confident13 Ų1343.9 Ų43.913%0.13425%0.249CC..THydrogen-bonded Turntrans59.735-179.400000113.5I433 F599 L665G431-I433 VanDerWaalsContact C-N 3.3Å; G431-I433 PolarHBondContact O-N 2.87Å; G431-F599 WeakPolarHBondContact O-CD1 3.33Å; G431-L665 PolarHBondContact N-O 3.4Å
432G85.6Confident81.3Confident16 Ų1643.3 Ų43.317%0.16525%0.247CC..THydrogen-bonded Turntrans74.112.7-178.300000115.4I430 S602 H606I430-G432 VanDerWaalsContact C-N 3.26Å; I430-G432 PolarHBondContact O-N 2.9Å; G432-S602 WeakPolarHBondContact CA-OG 3.38Å; G432-H606 PolarHBondContact O-CE1 3.41Å; G432-H606 VanDerWaalsContact O-CE1 3.24Å
433I89.7Confident80.6Confident76 Ų7640.9 Ų40.939%0.3923%0.232SC..EExtended strand (participates in β ladder)trans-115.8131.3176.4-65.7163.7000109.4S429 I430 G431 Y435S429-I433 CarbonylContact C-O 3.55Å; S429-I433 VanDerWaalsContact CA-O 3.3Å; S429-I433 WeakPolarHBondContact CA-O 3.38Å; I430-I433 PolarHBondContact N-O 2.85Å; I430-I433 PolarHBondContact O-N 3.14Å; I430-I433 VanDerWaalsContact O-N 3.16Å; G431-I433 VanDerWaalsContact C-N 3.3Å; G431-I433 PolarHBondContact O-N 2.87Å; I433-Y435 HydrophobicContact CB-CE2 4.17Å; I433-Y435 HydrophobicContact CG2-CE1 3.92Å; I433-Y435 HydrophobicContact CG2-CE2 4.03Å; I433-Y435 WeakPolarHBondContact O-CD2 2.9Å; I433-Y435 VanDerWaalsContact O-CE2 3.27Å; I433-Y435 WeakPolarHBondContact O-CE2 3.13Å
434M89Confident79.7Confident26 Ų2640 Ų4013%0.12823%0.227CC..EExtended strand (participates in β ladder)trans-88130.2177.4-171.7-177.1-55.500110.8N437 H606 N609 F610M434-N437 PolarHBondContact SD-ND2 3.18Å; M434-N437 PolarHBondContact SD-OD1 2.98Å; M434-H606 HydrophobicContact CE-CB 3.6Å; M434-H606 WeakPolarHBondContact CE-CD2 3.34Å; M434-H606 VanDerWaalsContact CE-CG 3.41Å; M434-H606 PolarHBondContact N-CE1 3.26Å; M434-N609 HydrophobicContact CE-CB 4.17Å; M434-F610 HydrophobicContact CE-CE1 4.11Å; M434-F610 HydrophobicContact CE-CZ 4.45Å; M434-F610 HydrophobicContact CG-CE1 3.81Å; M434-F610 HydrophobicContact CG-CZ 3.87Å; M434-F610 HydrophobicContact SD-CE1 3.72Å; M434-F610 HydrophobicContact SD-CZ 4.31Å
435Y88.9Confident79.1Confident3 Ų339.6 Ų39.61%0.01223%0.227CC..EExtended strand (participates in β ladder)trans-113.7146.9175.1-53.8-85.2000110.4C428 I430 I433 D447 N449 L450 K453C428-Y435 PolarHBondContact N-O 3.46Å; C428-Y435 PolarHBondContact O-N 2.85Å; I430-Y435 HydrophobicContact CB-CD2 4.49Å; I430-Y435 HydrophobicContact CB-CE2 3.84Å; I430-Y435 HydrophobicContact CD1-CD2 4.46Å; I430-Y435 HydrophobicContact CD1-CE2 4.35Å; I430-Y435 HydrophobicContact CG1-CD2 4.37Å; I430-Y435 HydrophobicContact CG1-CE2 4.18Å; I433-Y435 HydrophobicContact CB-CE2 4.17Å; I433-Y435 HydrophobicContact CG2-CE1 3.92Å; I433-Y435 HydrophobicContact CG2-CE2 4.03Å; I433-Y435 WeakPolarHBondContact O-CD2 2.9Å; I433-Y435 VanDerWaalsContact O-CE2 3.27Å; I433-Y435 WeakPolarHBondContact O-CE2 3.13Å; Y435-D447 WeakPolarHBondContact CA-OD2 3.48Å; Y435-N449 HydrophobicContact CE1-CB 4.45Å; Y435-L450 HydrophobicContact CD1-CB 3.7Å; Y435-L450 HydrophobicContact CD1-CD1 4.14Å; Y435-L450 HydrophobicContact CD1-CG 4.43Å; Y435-L450 HydrophobicContact CD2-CD1 4.15Å; Y435-L450 HydrophobicContact CE1-CB 4.11Å; Y435-L450 HydrophobicContact CE1-CD1 4.1Å; Y435-L450 HydrophobicContact CE2-CD1 4.15Å; Y435-L450 HydrophobicContact CG-CB 4.18Å; Y435-L450 HydrophobicContact CG-CD1 4.15Å; Y435-K453 HydrophobicContact CE1-CD 4.36Å; Y435-K453 VanDerWaalsContact OH-CD 3.24Å; Y435-K453 WeakPolarHBondContact OH-CD 3.29Å; Y435-K453 WeakPolarHBondContact OH-CE 3.21Å; Y435-K453 PolarHBondContact OH-NZ 3.33Å
436G80.3Confident78.4Confident2 Ų245.6 Ų45.62%0.02126%0.255CS..  trans89.232.8-17800000115.2R427 D447R427-G436 PolarHBondContact NE-O 3Å; G436-D447 PolarHBondContact N-OD2 3.47Å; G436-D447 VanDerWaalsContact N-OD2 3.09Å
437N70Confident77.9Confident96 Ų9646.6 Ų46.651%0.51326%0.26SS..  trans-92.117.8-177.4-99.6-6.8000115.1M434M434-N437 PolarHBondContact SD-ND2 3.18Å; M434-N437 PolarHBondContact SD-OD1 2.98Å
438G63.8Low77.4Confident53 Ų5349.9 Ų49.955%0.54628%0.277SS..SBendtrans-75.7-143.1179.700000113.4S442G438-S442 WeakPolarHBondContact CA-OG 3.3Å; G438-S442 PolarHBondContact N-OG 2.91Å
439T61.8Low76.8Confident105 Ų10555 Ų5564%0.64430%0.304SS*.SBendtrans-59.5163.8172.748.20000111.7D441 S442T439-D441 PolarHBondContact O-N 3.07Å; T439-S442 PolarHBondContact N-OG 2.99Å; T439-S442 WeakPolarHBondContact O-CB 3.36Å; T439-S442 PolarHBondContact O-N 3.42Å; T439-S442 PolarHBondContact O-OG 3.22Å
440E59.3Low76.4Confident178 Ų17855 Ų5583%0.83230%0.304SS*.THydrogen-bonded Turntrans-51-31.4179.1-67.9-178.2165.400112.7K426K426-E440 WeakPolarHBondContact CE-O 3.25Å
441D60.5Low75.8Confident136 Ų13656.6 Ų56.673%0.72731%0.313SS*.THydrogen-bonded Turntrans-86.6-8.9177.6-67.2-35.7000115.1K426 T439 N443K426-D441 PolarHBondContact NZ-O 2.84Å; T439-D441 PolarHBondContact O-N 3.07Å; D441-N443 PolarHBondContact O-N 3.14Å
442S60.3Low75.6Confident19 Ų1960.2 Ų60.213%0.13333%0.329CS..  trans-67130.7-176.462.30000112.7K426 G438 T439K426-S442 VanDerWaalsContact CE-O 3.23Å; K426-S442 WeakPolarHBondContact CE-O 3.31Å; G438-S442 WeakPolarHBondContact CA-OG 3.3Å; G438-S442 PolarHBondContact N-OG 2.91Å; T439-S442 PolarHBondContact N-OG 2.99Å; T439-S442 WeakPolarHBondContact O-CB 3.36Å; T439-S442 PolarHBondContact O-N 3.42Å; T439-S442 PolarHBondContact O-OG 3.22Å
443N71.7Confident75.5Confident23 Ų2362.2 Ų62.212%0.12333%0.333CS..  trans-99.2140.9179.4-73.7-14.7000110.2E424 K426 D441 L445 E446E424-N443 PolarHBondContact OE1-ND2 2.79Å; K426-N443 WeakPolarHBondContact CD-OD1 3.39Å; K426-N443 WeakPolarHBondContact CE-OD1 3.34Å; K426-N443 PolarHBondContact NZ-OD1 3.07Å; D441-N443 PolarHBondContact O-N 3.14Å; N443-L445 PolarHBondContact O-N 3.06Å; N443-L445 VanDerWaalsContact O-N 3.17Å; N443-E446 HydrophobicContact CB-CG 4.28Å; N443-E446 PolarHBondContact O-N 3.47Å
444A69.8Low75.1Confident0 Ų059.5 Ų59.50%032%0.319CS..G310 helixtrans-60.5-25.6175.900000113.4F425 K426 E446 D447 L450F425-A444 HydrophobicContact CE1-CB 4.42Å; K426-A444 VanDerWaalsContact O-CB 3.28Å; K426-A444 WeakPolarHBondContact O-CB 3.3Å; K426-A444 PolarHBondContact O-N 3.14Å; A444-E446 PolarHBondContact O-N 3.09Å; A444-D447 WeakPolarHBondContact O-CB 3.37Å; A444-D447 PolarHBondContact O-N 3.38Å; A444-L450 WeakPolarHBondContact O-CD2 3.42Å
445L73.9Confident74.7Confident36 Ų3663.7 Ų63.719%0.18834%0.342CS..G310 helixtrans-68.1-22.3175.6-62.2172.3000112.8F425 N443 A525 T528 M529F425-L445 HydrophobicContact CD1-CD2 4.42Å; F425-L445 HydrophobicContact CD1-CG 4.34Å; N443-L445 PolarHBondContact O-N 3.06Å; N443-L445 VanDerWaalsContact O-N 3.17Å; L445-A525 HydrophobicContact CD1-CB 4.4Å; L445-A525 HydrophobicContact CD2-CB 4.24Å; L445-T528 HydrophobicContact CD1-CG2 4.3Å; L445-M529 HydrophobicContact CD2-CG 3.63Å; L445-M529 HydrophobicContact CD2-SD 3.65Å
446E76.7Confident74.4Confident133 Ų13367.7 Ų67.762%0.62138%0.376SS*.G310 helixtrans-94.3-4.2177.7-62.8173.3-172.800112.2N443 A444 Q448N443-E446 HydrophobicContact CB-CG 4.28Å; N443-E446 PolarHBondContact O-N 3.47Å; A444-E446 PolarHBondContact O-N 3.09Å; E446-Q448 PolarHBondContact O-N 3.03Å; E446-Q448 VanDerWaalsContact O-N 3.15Å
447D78.3Confident74.3Confident32 Ų3269.4 Ų69.417%0.17139%0.394CS..  trans-70.4110.5-178.3-165.9-24000110.5Y435 G436 A444 N449 L450 I451Y435-D447 WeakPolarHBondContact CA-OD2 3.48Å; G436-D447 PolarHBondContact N-OD2 3.47Å; G436-D447 VanDerWaalsContact N-OD2 3.09Å; A444-D447 WeakPolarHBondContact O-CB 3.37Å; A444-D447 PolarHBondContact O-N 3.38Å; D447-N449 PolarHBondContact O-N 3.25Å; D447-N449 VanDerWaalsContact O-N 3.12Å; D447-N449 WeakPolarHBondContact OD1-CB 3.45Å; D447-N449 PolarHBondContact OD1-N 2.86Å; D447-N449 PolarHBondContact OD1-ND2 3.01Å; D447-L450 HydrophobicContact CB-CB 4.36Å; D447-L450 WeakPolarHBondContact O-CB 3.16Å; D447-L450 PolarHBondContact O-N 3.15Å; D447-I451 PolarHBondContact O-N 3.49Å
448Q79.7Confident75.1Confident99 Ų9967.3 Ų67.346%0.46338%0.382SS..Hα-helixtrans-55.5-31179.7-69.7-67.5-2400112.5E446 I451 N452E446-Q448 PolarHBondContact O-N 3.03Å; E446-Q448 VanDerWaalsContact O-N 3.15Å; Q448-I451 PolarHBondContact O-N 3.3Å; Q448-N452 VanDerWaalsContact O-CB 3.28Å; Q448-N452 WeakPolarHBondContact O-CB 3.37Å; Q448-N452 PolarHBondContact O-N 2.97Å; Q448-N452 PolarHBondContact O-ND2 3.46Å; Q448-N452 VanDerWaalsContact O-ND2 3.1Å
449N81.3Confident76.2Confident106 Ų10670.1 Ų70.157%0.56738%0.384SS*.Hα-helixtrans-67.4-38.3178.8-66.5-44.5000112.3Y435 D447 K453Y435-N449 HydrophobicContact CE1-CB 4.45Å; D447-N449 PolarHBondContact O-N 3.25Å; D447-N449 VanDerWaalsContact O-N 3.12Å; D447-N449 WeakPolarHBondContact OD1-CB 3.45Å; D447-N449 PolarHBondContact OD1-N 2.86Å; D447-N449 PolarHBondContact OD1-ND2 3.01Å; N449-K453 WeakPolarHBondContact O-CG 3.41Å; N449-K453 PolarHBondContact O-N 3.03Å
450L82.6Confident77.5Confident0 Ų067.6 Ų67.60%037%0.366CS..Hα-helixtrans-68.7-45.3177.8-176.562.8000110.6I430 Y435 A444 D447 N452 K453 L454 V461 F465 M529I430-L450 HydrophobicContact CD1-CD1 4Å; Y435-L450 HydrophobicContact CD1-CB 3.7Å; Y435-L450 HydrophobicContact CD1-CD1 4.14Å; Y435-L450 HydrophobicContact CD1-CG 4.43Å; Y435-L450 HydrophobicContact CD2-CD1 4.15Å; Y435-L450 HydrophobicContact CE1-CB 4.11Å; Y435-L450 HydrophobicContact CE1-CD1 4.1Å; Y435-L450 HydrophobicContact CE2-CD1 4.15Å; Y435-L450 HydrophobicContact CG-CB 4.18Å; Y435-L450 HydrophobicContact CG-CD1 4.15Å; A444-L450 WeakPolarHBondContact O-CD2 3.42Å; D447-L450 HydrophobicContact CB-CB 4.36Å; D447-L450 WeakPolarHBondContact O-CB 3.16Å; D447-L450 PolarHBondContact O-N 3.15Å; L450-N452 VanDerWaalsContact C-N 3.31Å; L450-N452 PolarHBondContact O-N 2.95Å; L450-K453 PolarHBondContact O-N 3.43Å; L450-L454 WeakPolarHBondContact O-CB 3.19Å; L450-L454 PolarHBondContact O-N 2.89Å; L450-V461 HydrophobicContact CD1-CG1 4.07Å; L450-F465 HydrophobicContact CD1-CE2 4.32Å; L450-F465 HydrophobicContact CD2-CE2 4.43Å; L450-F465 HydrophobicContact CD2-CZ 4.14Å; L450-M529 HydrophobicContact CD2-CE 3.7Å; L450-M529 HydrophobicContact CG-CE 3.75Å
451I81.7Confident78.9Confident36 Ų3659.1 Ų59.119%0.18533%0.327CS..Hα-helixtrans-60-43.5176.7-61.7170.2000110.2D447 Q448 K453 L454 N455D447-I451 PolarHBondContact O-N 3.49Å; Q448-I451 PolarHBondContact O-N 3.3Å; I451-K453 PolarHBondContact O-N 2.98Å; I451-L454 PolarHBondContact O-N 3.13Å; I451-N455 WeakPolarHBondContact O-CB 3.36Å; I451-N455 VanDerWaalsContact O-CG 3.23Å; I451-N455 PolarHBondContact O-N 2.75Å; I451-N455 PolarHBondContact O-ND2 3.48Å
452N82.9Confident80.2Confident90 Ų9054.2 Ų54.248%0.48130%0.301SS..Hα-helixtrans-62.8-42.3177.4-72.8-23.1000112.6Q448 L450 N455 A456Q448-N452 VanDerWaalsContact O-CB 3.28Å; Q448-N452 WeakPolarHBondContact O-CB 3.37Å; Q448-N452 PolarHBondContact O-N 2.97Å; Q448-N452 PolarHBondContact O-ND2 3.46Å; Q448-N452 VanDerWaalsContact O-ND2 3.1Å; L450-N452 VanDerWaalsContact C-N 3.31Å; L450-N452 PolarHBondContact O-N 2.95Å; N452-N455 PolarHBondContact O-N 2.9Å; N452-A456 WeakPolarHBondContact O-CB 3.28Å; N452-A456 PolarHBondContact O-N 2.88Å
453K83Confident81.6Confident58 Ų5855.7 Ų55.725%0.25231%0.305SS..Hα-helixtrans-67.4-37.4175.5-78.3-174170.7-161.80113.2Y435 N449 L450 I451 A456 G457 D458 V461Y435-K453 HydrophobicContact CE1-CD 4.36Å; Y435-K453 VanDerWaalsContact OH-CD 3.24Å; Y435-K453 WeakPolarHBondContact OH-CD 3.29Å; Y435-K453 WeakPolarHBondContact OH-CE 3.21Å; Y435-K453 PolarHBondContact OH-NZ 3.33Å; N449-K453 WeakPolarHBondContact O-CG 3.41Å; N449-K453 PolarHBondContact O-N 3.03Å; L450-K453 PolarHBondContact O-N 3.43Å; I451-K453 PolarHBondContact O-N 2.98Å; K453-A456 PolarHBondContact O-N 2.96Å; K453-G457 PolarHBondContact O-N 3.31Å; K453-G457 VanDerWaalsContact O-N 3.17Å; K453-D458 HydrophobicContact CB-CB 4.34Å; K453-D458 PolarHBondContact O-N 2.95Å; K453-D458 VanDerWaalsContact O-N 3.15Å; K453-V461 HydrophobicContact CB-CG2 4.4Å
454L81.7Confident82.7Confident19 Ų1954.6 Ų54.610%0.09930%0.3CS..Hα-helixtrans-62.2-48174.1-174.172.5000110.1L450 I451 A456 G457 V461 M529 Y531 R546L450-L454 WeakPolarHBondContact O-CB 3.19Å; L450-L454 PolarHBondContact O-N 2.89Å; I451-L454 PolarHBondContact O-N 3.13Å; L454-A456 VanDerWaalsContact C-N 3.27Å; L454-A456 PolarHBondContact O-N 3.49Å; L454-G457 PolarHBondContact O-N 3.45Å; L454-V461 HydrophobicContact CD1-CG1 4.02Å; L454-M529 HydrophobicContact CD2-CB 4.33Å; L454-M529 HydrophobicContact CD2-CE 4.04Å; L454-M529 WeakPolarHBondContact CD2-O 3.31Å; L454-Y531 HydrophobicContact CD1-CE2 3.8Å; L454-Y531 WeakPolarHBondContact CD1-OH 3.37Å; L454-R546 PolarHBondContact O-NH2 3.5Å
455N80.9Confident83.7Confident114 Ų11454.6 Ų54.661%0.6130%0.3SS*.Hα-helixtrans-61.9-34.3176.1-70.7-23.2000112.3I451 N452 G457I451-N455 WeakPolarHBondContact O-CB 3.36Å; I451-N455 VanDerWaalsContact O-CG 3.23Å; I451-N455 PolarHBondContact O-N 2.75Å; I451-N455 PolarHBondContact O-ND2 3.48Å; N452-N455 PolarHBondContact O-N 2.9Å; N455-G457 PolarHBondContact O-N 3.28Å
456A83Confident84.6Confident87 Ų8753.2 Ų53.272%0.71929%0.293SS*.THydrogen-bonded Turntrans-70.7-12173.600000114N452 K453 L454N452-A456 WeakPolarHBondContact O-CB 3.28Å; N452-A456 PolarHBondContact O-N 2.88Å; K453-A456 PolarHBondContact O-N 2.96Å; L454-A456 VanDerWaalsContact C-N 3.27Å; L454-A456 PolarHBondContact O-N 3.49Å
457G78.5Confident85.3Confident38 Ų3847.2 Ų47.239%0.39227%0.265SS..THydrogen-bonded Turntrans76.533.1179.500000114.1K453 L454 N455 L459K453-G457 PolarHBondContact O-N 3.31Å; K453-G457 VanDerWaalsContact O-N 3.17Å; L454-G457 PolarHBondContact O-N 3.45Å; N455-G457 PolarHBondContact O-N 3.28Å; G457-L459 PolarHBondContact O-N 2.94Å
458D85.5Confident86Confident51 Ų5145.9 Ų45.927%0.27326%0.258SS..  trans-58.3120.4176.3-170.6-11.2000111K453 L460 V461 D462K453-D458 HydrophobicContact CB-CB 4.34Å; K453-D458 PolarHBondContact O-N 2.95Å; K453-D458 VanDerWaalsContact O-N 3.15Å; D458-L460 VanDerWaalsContact C-N 3.29Å; D458-L460 PolarHBondContact O-N 3.03Å; D458-L460 PolarHBondContact OD1-N 2.91Å; D458-V461 HydrophobicContact CB-CB 4.26Å; D458-V461 HydrophobicContact CB-CG2 4.01Å; D458-V461 PolarHBondContact O-N 3.44Å; D458-D462 PolarHBondContact O-N 3.44Å
459L86.9Confident86.6Confident113 Ų11341.2 Ų41.259%0.59224%0.236SC*.Hα-helixtrans-61.9-36.2-174.5-17371.2000112G457 D462 Q463G457-L459 PolarHBondContact O-N 2.94Å; L459-D462 PolarHBondContact O-N 3.31Å; L459-Q463 WeakPolarHBondContact O-CB 3.33Å; L459-Q463 VanDerWaalsContact O-CG 3.3Å; L459-Q463 WeakPolarHBondContact O-CG 3.42Å; L459-Q463 PolarHBondContact O-N 2.92Å
460L88.8Confident87.1Confident51 Ų5136.2 Ų36.227%0.26721%0.209SC..Hα-helixtrans-68.1-40.1-179.5-68.3175.7000111.4D458 F464 F599 L665D458-L460 VanDerWaalsContact C-N 3.29Å; D458-L460 PolarHBondContact O-N 3.03Å; D458-L460 PolarHBondContact OD1-N 2.91Å; L460-F464 VanDerWaalsContact O-CB 3.28Å; L460-F464 WeakPolarHBondContact O-CB 3.08Å; L460-F464 PolarHBondContact O-N 3.24Å; L460-F599 HydrophobicContact CD1-CE2 4.05Å; L460-F599 HydrophobicContact CD1-CZ 4.23Å; L460-L665 HydrophobicContact CD2-CD2 3.89Å
461V88.6Confident87.5Confident1 Ų136.3 Ų36.31%0.00621%0.21CC..Hα-helixtrans-68.9-41.8177.4-179.20000110.2I430 L450 K453 L454 D458 F464 F465I430-V461 HydrophobicContact CG2-CG2 4.13Å; L450-V461 HydrophobicContact CD1-CG1 4.07Å; K453-V461 HydrophobicContact CB-CG2 4.4Å; L454-V461 HydrophobicContact CD1-CG1 4.02Å; D458-V461 HydrophobicContact CB-CB 4.26Å; D458-V461 HydrophobicContact CB-CG2 4.01Å; D458-V461 PolarHBondContact O-N 3.44Å; V461-F464 PolarHBondContact O-N 3.34Å; V461-F465 HydrophobicContact CG1-CD2 3.72Å; V461-F465 HydrophobicContact CG1-CE2 3.7Å; V461-F465 WeakPolarHBondContact O-CD2 3.3Å; V461-F465 PolarHBondContact O-N 2.82Å; V461-F465 VanDerWaalsContact O-N 3.08Å
462D89.4Confident88Confident32 Ų3234.7 Ų34.717%0.17120%0.202CC..Hα-helixtrans-61.6-45.4176.3-168.166000111.9D458 L459 T466 Y531D458-D462 PolarHBondContact O-N 3.44Å; L459-D462 PolarHBondContact O-N 3.31Å; D462-T466 VanDerWaalsContact O-CB 3.24Å; D462-T466 WeakPolarHBondContact O-CB 3.33Å; D462-T466 PolarHBondContact O-N 3.41Å; D462-T466 PolarHBondContact O-OG1 3.41Å; D462-Y531 WeakPolarHBondContact CA-OH 3.44Å; D462-Y531 WeakPolarHBondContact OD1-CE1 3.41Å; D462-Y531 PolarHBondContact OD1-OH 2.59Å
463Q89.8Confident88.2Confident50 Ų5030.5 Ų30.523%0.23418%0.179CC..Hα-helixtrans-63.7-43.7175.6-75.4179.7-7.200112L459 T466 I467 L665L459-Q463 WeakPolarHBondContact O-CB 3.33Å; L459-Q463 VanDerWaalsContact O-CG 3.3Å; L459-Q463 WeakPolarHBondContact O-CG 3.42Å; L459-Q463 PolarHBondContact O-N 2.92Å; Q463-T466 PolarHBondContact O-N 3.28Å; Q463-I467 WeakPolarHBondContact O-CG1 3.05Å; Q463-I467 PolarHBondContact O-N 3.43Å; Q463-L665 HydrophobicContact CB-CD1 4.29Å; Q463-L665 HydrophobicContact CB-CD2 4.42Å
464F92.9Very high88.6Confident0 Ų027.7 Ų27.70%017%0.167CC..Hα-helixtrans-59-51.7179.8-175.8-93.7000112.1C428 I430 L460 V461 T466 I467 L468 I620 L665 T668C428-F464 HydrophobicContact CB-CE1 4.4Å; C428-F464 HydrophobicContact CB-CZ 4.3Å; I430-F464 HydrophobicContact CD1-CB 4.42Å; I430-F464 HydrophobicContact CD1-CD1 3.48Å; I430-F464 VanDerWaalsContact CD1-CD1 3.48Å; I430-F464 HydrophobicContact CD1-CE1 3.74Å; I430-F464 HydrophobicContact CD1-CG 3.94Å; I430-F464 HydrophobicContact CD1-CZ 4.4Å; I430-F464 HydrophobicContact CG1-CD1 3.84Å; I430-F464 HydrophobicContact CG1-CD2 4.11Å; I430-F464 HydrophobicContact CG1-CE1 3.88Å; I430-F464 HydrophobicContact CG1-CE2 4.15Å; I430-F464 HydrophobicContact CG1-CG 3.93Å; I430-F464 HydrophobicContact CG1-CZ 4.02Å; I430-F464 HydrophobicContact CG2-CB 4.07Å; I430-F464 HydrophobicContact CG2-CD2 4.42Å; I430-F464 HydrophobicContact CG2-CG 4.22Å; L460-F464 VanDerWaalsContact O-CB 3.28Å; L460-F464 WeakPolarHBondContact O-CB 3.08Å; L460-F464 PolarHBondContact O-N 3.24Å; V461-F464 PolarHBondContact O-N 3.34Å; F464-T466 VanDerWaalsContact C-N 3.35Å; F464-T466 PolarHBondContact O-N 3.4Å; F464-I467 PolarHBondContact O-N 3.04Å; F464-L468 HydrophobicContact CD1-CD1 3.99Å; F464-L468 HydrophobicContact CE1-CD1 3.65Å; F464-L468 HydrophobicContact CE1-CG 4.41Å; F464-L468 HydrophobicContact CZ-CD1 4.41Å; F464-L468 WeakPolarHBondContact O-CG 3.37Å; F464-L468 PolarHBondContact O-N 3.05Å; F464-L468 VanDerWaalsContact O-N 3.13Å; F464-I620 HydrophobicContact CD2-CB 4.41Å; F464-I620 HydrophobicContact CD2-CD1 4.29Å; F464-I620 HydrophobicContact CE2-CB 4.16Å; F464-I620 HydrophobicContact CE2-CD1 3.78Å; F464-I620 HydrophobicContact CE2-CG1 4.13Å; F464-I620 HydrophobicContact CZ-CD1 4.02Å; F464-L665 HydrophobicContact CD2-CB 4.29Å; F464-T668 HydrophobicContact CE1-CG2 4.19Å; F464-T668 HydrophobicContact CE2-CG2 4.39Å; F464-T668 HydrophobicContact CZ-CG2 3.54Å
465F91.8Very high88.9Confident0 Ų027.1 Ų27.10%016%0.164CC..Hα-helixtrans-70.9-29.3178.4-75.8-67.3000113.2I430 L450 V461 L468 A469 A526 M529 Y531I430-F465 HydrophobicContact CD1-CE2 4.24Å; L450-F465 HydrophobicContact CD1-CE2 4.32Å; L450-F465 HydrophobicContact CD2-CE2 4.43Å; L450-F465 HydrophobicContact CD2-CZ 4.14Å; V461-F465 HydrophobicContact CG1-CD2 3.72Å; V461-F465 HydrophobicContact CG1-CE2 3.7Å; V461-F465 WeakPolarHBondContact O-CD2 3.3Å; V461-F465 PolarHBondContact O-N 2.82Å; V461-F465 VanDerWaalsContact O-N 3.08Å; F465-L468 HydrophobicContact CD1-CD1 3.95Å; F465-L468 HydrophobicContact CE1-CD1 4.23Å; F465-L468 PolarHBondContact O-N 3.29Å; F465-A469 WeakPolarHBondContact O-CB 3.18Å; F465-A469 PolarHBondContact O-N 3.5Å; F465-A526 HydrophobicContact CD1-CB 4.43Å; F465-M529 HydrophobicContact CD1-CB 4.25Å; F465-M529 HydrophobicContact CD1-CG 4.26Å; F465-M529 HydrophobicContact CE1-CB 4.15Å; F465-M529 HydrophobicContact CE1-CG 3.66Å; F465-M529 HydrophobicContact CE2-CB 4.41Å; F465-M529 HydrophobicContact CE2-CE 4.25Å; F465-M529 HydrophobicContact CE2-CG 4.18Å; F465-M529 HydrophobicContact CG-CB 4.45Å; F465-M529 HydrophobicContact CZ-CB 4.24Å; F465-M529 HydrophobicContact CZ-CE 4.23Å; F465-M529 HydrophobicContact CZ-CG 3.63Å; F465-Y531 HydrophobicContact CB-CD1 4.07Å; F465-Y531 HydrophobicContact CB-CD2 3.49Å; F465-Y531 VanDerWaalsContact CB-CD2 3.49Å; F465-Y531 HydrophobicContact CB-CE1 4.09Å; F465-Y531 HydrophobicContact CB-CE2 3.53Å; F465-Y531 HydrophobicContact CB-CG 3.81Å; F465-Y531 HydrophobicContact CD2-CE2 4.25Å; F465-Y531 HydrophobicContact CG-CD2 4.13Å; F465-Y531 HydrophobicContact CG-CE2 4.08Å
466T91.8Very high89.3Confident8 Ų821.9 Ų21.95%0.04914%0.136CC..Hα-helixtrans-62.6-45.1171.6-62.20000111.1D462 Q463 F464 L468 A469 V470 I545 Y552D462-T466 VanDerWaalsContact O-CB 3.24Å; D462-T466 WeakPolarHBondContact O-CB 3.33Å; D462-T466 PolarHBondContact O-N 3.41Å; D462-T466 PolarHBondContact O-OG1 3.41Å; Q463-T466 PolarHBondContact O-N 3.28Å; F464-T466 VanDerWaalsContact C-N 3.35Å; F464-T466 PolarHBondContact O-N 3.4Å; T466-L468 VanDerWaalsContact C-N 3.33Å; T466-L468 PolarHBondContact O-N 3.26Å; T466-A469 CarbonylContact O-C 3.58Å; T466-A469 PolarHBondContact O-N 3.23Å; T466-A469 VanDerWaalsContact O-N 3.16Å; T466-V470 HydrophobicContact CG2-CG2 4.33Å; T466-V470 WeakPolarHBondContact O-CB 3.4Å; T466-V470 VanDerWaalsContact O-CG2 3.31Å; T466-V470 WeakPolarHBondContact O-CG2 3.29Å; T466-V470 PolarHBondContact O-N 2.94Å; T466-V470 VanDerWaalsContact O-N 3.07Å; T466-I545 HydrophobicContact CG2-CD1 4.28Å; T466-Y552 HydrophobicContact CG2-CE1 4.21Å; T466-Y552 HydrophobicContact CG2-CE2 4.48Å; T466-Y552 VanDerWaalsContact CG2-OH 3.28Å; T466-Y552 WeakPolarHBondContact CG2-OH 3.12Å
467I92.5Very high89.3Confident6 Ų619.9 Ų19.93%0.03111%0.112CC..Hα-helixtrans-63.7-40.6177.3-67.6171.8000110.9Q463 F464 A469 V470 C471 M581 I620 W622 L665Q463-I467 WeakPolarHBondContact O-CG1 3.05Å; Q463-I467 PolarHBondContact O-N 3.43Å; F464-I467 PolarHBondContact O-N 3.04Å; I467-A469 VanDerWaalsContact C-N 3.26Å; I467-A469 PolarHBondContact O-N 3.1Å; I467-V470 PolarHBondContact O-N 3.09Å; I467-C471 HydrophobicContact CG2-CB 3.91Å; I467-C471 VanDerWaalsContact O-CB 3.27Å; I467-C471 WeakPolarHBondContact O-CB 3.46Å; I467-C471 PolarHBondContact O-N 3.41Å; I467-M581 HydrophobicContact CB-SD 4.45Å; I467-M581 HydrophobicContact CD1-CG 4.4Å; I467-M581 HydrophobicContact CG1-CB 4.34Å; I467-M581 HydrophobicContact CG1-CE 4.22Å; I467-M581 HydrophobicContact CG1-CG 3.93Å; I467-M581 HydrophobicContact CG1-SD 3.84Å; I467-M581 HydrophobicContact CG2-CB 4.08Å; I467-I620 HydrophobicContact CB-CG2 4.12Å; I467-I620 HydrophobicContact CD1-CG2 3.99Å; I467-I620 HydrophobicContact CG2-CG2 3.55Å; I467-W622 HydrophobicContact CD1-CB 3.9Å; I467-W622 HydrophobicContact CD1-CG 4.33Å; I467-L665 HydrophobicContact CD1-CD1 3.27Å
468L92.4Very high89.3Confident5 Ų524 Ų243%0.02612%0.116CC..Hα-helixtrans-59.7-35.4174.6-71.4-177.8000113.2F425 F464 F465 T466 H472 L522 A526 I620 T668F425-L468 HydrophobicContact CE2-CD1 4.44Å; F464-L468 HydrophobicContact CD1-CD1 3.99Å; F464-L468 HydrophobicContact CE1-CD1 3.65Å; F464-L468 HydrophobicContact CE1-CG 4.41Å; F464-L468 HydrophobicContact CZ-CD1 4.41Å; F464-L468 WeakPolarHBondContact O-CG 3.37Å; F464-L468 PolarHBondContact O-N 3.05Å; F464-L468 VanDerWaalsContact O-N 3.13Å; F465-L468 HydrophobicContact CD1-CD1 3.95Å; F465-L468 HydrophobicContact CE1-CD1 4.23Å; F465-L468 PolarHBondContact O-N 3.29Å; T466-L468 VanDerWaalsContact C-N 3.33Å; T466-L468 PolarHBondContact O-N 3.26Å; L468-H472 PolarHBondContact O-CD2 3.04Å; L468-L522 HydrophobicContact CD2-CB 4.12Å; L468-L522 HydrophobicContact CD2-CD1 4.08Å; L468-L522 HydrophobicContact CD2-CD2 3.79Å; L468-L522 HydrophobicContact CD2-CG 4.2Å; L468-A526 HydrophobicContact CB-CB 4.16Å; L468-I620 HydrophobicContact CD2-CD1 3.29Å; L468-I620 HydrophobicContact CG-CD1 3.88Å; L468-T668 HydrophobicContact CD1-CG2 4.44Å; L468-T668 HydrophobicContact CD2-CG2 4.11Å
469A91.9Very high88.2Confident0 Ų024.1 Ų24.10%012%0.121CC..Hα-helixtrans-86.8-5.7179.700000114.7F465 T466 I467 H472 A526 V543F465-A469 WeakPolarHBondContact O-CB 3.18Å; F465-A469 PolarHBondContact O-N 3.5Å; T466-A469 CarbonylContact O-C 3.58Å; T466-A469 PolarHBondContact O-N 3.23Å; T466-A469 VanDerWaalsContact O-N 3.16Å; I467-A469 VanDerWaalsContact C-N 3.26Å; I467-A469 PolarHBondContact O-N 3.1Å; A469-H472 VanDerWaalsContact C-CD2 3.46Å; A469-H472 VanDerWaalsContact C-NE2 3.34Å; A469-H472 PolarHBondContact O-NE2 3.23Å; A469-A526 HydrophobicContact CB-CB 4.09Å; A469-V543 HydrophobicContact CB-CG1 3.92Å; A469-V543 HydrophobicContact CB-CG2 4.36Å
470V92Very high86.7Confident1 Ų124.4 Ų24.41%0.00613%0.127CC..Hα-helixtrans-118.8-44.9-178.5176.30000111.8T466 I467 H472 V543 Y552 V571 M581T466-V470 HydrophobicContact CG2-CG2 4.33Å; T466-V470 WeakPolarHBondContact O-CB 3.4Å; T466-V470 VanDerWaalsContact O-CG2 3.31Å; T466-V470 WeakPolarHBondContact O-CG2 3.29Å; T466-V470 PolarHBondContact O-N 2.94Å; T466-V470 VanDerWaalsContact O-N 3.07Å; I467-V470 PolarHBondContact O-N 3.09Å; V470-H472 PolarHBondContact O-N 3.1Å; V470-V543 HydrophobicContact CG2-CG2 3.93Å; V470-Y552 HydrophobicContact CG1-CG 4.44Å; V470-Y552 HydrophobicContact CG2-CD1 4.32Å; V470-Y552 HydrophobicContact CG2-CD2 3.97Å; V470-Y552 HydrophobicContact CG2-CE2 4.2Å; V470-Y552 HydrophobicContact CG2-CG 4.05Å; V470-V571 HydrophobicContact CG1-CG1 3.9Å; V470-M581 HydrophobicContact CB-SD 4.18Å; V470-M581 HydrophobicContact CG1-SD 4.03Å
471C91.6Very high84.5Confident2 Ų228.1 Ų28.11%0.01415%0.147CC..SBendtrans-83.672.2-176.2-171.40000111.3I467 V569 M581 K583I467-C471 HydrophobicContact CG2-CB 3.91Å; I467-C471 VanDerWaalsContact O-CB 3.27Å; I467-C471 WeakPolarHBondContact O-CB 3.46Å; I467-C471 PolarHBondContact O-N 3.41Å; C471-V569 HydrophobicContact CB-CG2 4.46Å; C471-M581 HydrophobicContact CB-CB 4.13Å; C471-M581 PolarHBondContact SG-O 2.98Å; C471-K583 WeakPolarHBondContact O-CE 3.46Å; C471-K583 PolarHBondContact O-NZ 3.05Å
472H91.4Very high82.3Confident3 Ų336.2 Ų36.21%0.01419%0.185CC..SBendtrans-157.3167.7178.16275.1000113.2L468 A469 V470 V474 V523 F533 R536L468-H472 PolarHBondContact O-CD2 3.04Å; A469-H472 VanDerWaalsContact C-CD2 3.46Å; A469-H472 VanDerWaalsContact C-NE2 3.34Å; A469-H472 PolarHBondContact O-NE2 3.23Å; V470-H472 PolarHBondContact O-N 3.1Å; H472-V474 HydrophobicContact CB-CG2 4.16Å; H472-V474 WeakPolarHBondContact ND1-CB 3.48Å; H472-V474 PolarHBondContact ND1-N 2.98Å; H472-V523 HydrophobicContact CB-CG2 4.09Å; H472-V523 WeakPolarHBondContact CD2-CG2 3.42Å; H472-F533 AromaticContact CE1-CD1 3.6Å; H472-F533 AromaticContact CE1-CE1 3.45Å; H472-F533 VanDerWaalsContact CE1-CE1 3.45Å; H472-F533 WeakPolarHBondContact CE1-CE1 3.38Å; H472-F533 AromaticContact CE1-CZ 3.73Å; H472-F533 AromaticContact NE2-CD1 3.99Å; H472-R536 PolarHBondContact CE1-NH2 3.14Å; H472-R536 PolarHBondContact ND1-NH2 2.87Å; H472-R536 PolarHBondContact O-NH2 2.67Å
473T88.8Confident79.8Confident1 Ų141.4 Ų41.41%0.00621%0.212CC..  trans-97.4-5.1175.2710000114E519 R536 M567 Q1178 I1182T473-E519 WeakPolarHBondContact CA-OE2 3.41Å; T473-E519 WeakPolarHBondContact CB-OE2 3.22Å; T473-E519 PolarHBondContact N-OE2 3.25Å; T473-E519 PolarHBondContact OG1-OE2 2.84Å; T473-R536 PolarHBondContact O-NH1 3.45Å; T473-M567 HydrophobicContact CG2-CE 3.54Å; T473-M567 HydrophobicContact CG2-SD 4.43Å; T473-Q1178 HydrophobicContact CG2-CB 3.95Å; T473-Q1178 HydrophobicContact CG2-CG 4.06Å; T473-I1182 HydrophobicContact CG2-CD1 4.22Å
474V90.1Very high77.3Confident0 Ų046.3 Ų46.30%024%0.24CC..  trans-53.4138.5-179.9-172.10000113.6H472 Y512 Q513 A514 E519 V523 F533 R536H472-V474 HydrophobicContact CB-CG2 4.16Å; H472-V474 WeakPolarHBondContact ND1-CB 3.48Å; H472-V474 PolarHBondContact ND1-N 2.98Å; V474-Y512 HydrophobicContact CG1-CD1 3.96Å; V474-Y512 HydrophobicContact CG1-CG 4.08Å; V474-Q513 CarbonylContact C-O 3.53Å; V474-Q513 VanDerWaalsContact CA-O 3.32Å; V474-Q513 WeakPolarHBondContact CA-O 3.42Å; V474-Q513 WeakPolarHBondContact CG1-O 3.48Å; V474-A514 HydrophobicContact CB-CB 4.41Å; V474-A514 HydrophobicContact CG1-CB 4.39Å; V474-A514 HydrophobicContact CG2-CB 3.76Å; V474-E519 HydrophobicContact CG2-CB 3.93Å; V474-V523 HydrophobicContact CB-CG2 4.23Å; V474-V523 HydrophobicContact CG2-CB 4.38Å; V474-V523 HydrophobicContact CG2-CG2 3.71Å; V474-F533 VanDerWaalsContact O-CE1 3.26Å; V474-F533 WeakPolarHBondContact O-CE1 3.21Å; V474-R536 PolarHBondContact O-NE 3.06Å; V474-R536 PolarHBondContact O-NH1 3.03Å; V474-R536 VanDerWaalsContact O-NH1 3.12Å; V474-R536 PolarHBondContact O-NH2 2.73Å
475V88.4Confident74.7Confident6 Ų652 Ų524%0.03628%0.275CS..EExtended strand (participates in β ladder)trans-108130.4174.8-179.70000109.5Q513 Y1185V475-Q513 HydrophobicContact CB-CB 4.44Å; V475-Q513 PolarHBondContact N-O 3.4Å; V475-Q513 PolarHBondContact O-N 3.41Å; V475-Y1185 HydrophobicContact CB-CD1 4.42Å; V475-Y1185 HydrophobicContact CG1-CD1 3.74Å; V475-Y1185 HydrophobicContact CG1-CE1 4.28Å; V475-Y1185 HydrophobicContact CG1-CG 4.31Å; V475-Y1185 HydrophobicContact CG2-CD1 3.91Å; V475-Y1185 HydrophobicContact CG2-CD2 4.17Å; V475-Y1185 HydrophobicContact CG2-CE1 4.29Å; V475-Y1185 HydrophobicContact CG2-CG 3.82Å
476P89.7Confident71.9Confident4 Ų458.6 Ų58.63%0.02631%0.311CS..EExtended strand (participates in β ladder)trans-87.3127.2176.932.7-23.8000109.9I510 Y512 F533 T534P476-I510 HydrophobicContact CB-CG2 3.7Å; P476-Y512 HydrophobicContact CB-CD1 4.35Å; P476-Y512 HydrophobicContact CB-CE1 4.21Å; P476-F533 HydrophobicContact CB-CD1 4.1Å; P476-F533 HydrophobicContact CB-CE1 3.85Å; P476-F533 HydrophobicContact CB-CZ 4.41Å; P476-F533 VanDerWaalsContact CD-CZ 3.45Å; P476-F533 HydrophobicContact CG-CD1 4.14Å; P476-F533 HydrophobicContact CG-CE1 3.51Å; P476-F533 HydrophobicContact CG-CE2 4.21Å; P476-F533 HydrophobicContact CG-CZ 3.59Å; P476-T534 WeakPolarHBondContact CG-O 3.45Å
477E83.2Confident69.3Low45 Ų4565.7 Ų65.721%0.2135%0.348CS..EExtended strand (participates in β ladder)trans-114126.1174.8-172.4171.7-131.600110I510 N511 Q513 K1191E477-I510 WeakPolarHBondContact O-CA 3.28Å; E477-N511 PolarHBondContact N-O 3.29Å; E477-N511 PolarHBondContact O-N 2.94Å; E477-Q513 HydrophobicContact CB-CG 4.39Å; E477-Q513 VanDerWaalsContact CD-NE2 3.29Å; E477-Q513 PolarHBondContact OE2-NE2 3.45Å; E477-K1191 IonicContact OE1-NZ 3.67Å; E477-K1191 PolarHBondContact OE1-NZ 2.74Å
478R78.1Confident66.4Low126 Ų12672.6 Ų72.648%0.47539%0.385SS..EExtended strand (participates in β ladder)trans-86.4118.3175.1-62.3-177.2-174.5-1791.5108.8V480 T535R478-V480 PolarHBondContact O-N 3Å; R478-T535 PolarHBondContact NH2-OG1 3.13Å
479S62.4Low63.5Low53 Ų5379.2 Ų79.237%0.37142%0.421SS..  trans-67.5115.2172.461.80000109.8N481 L509S479-N481 PolarHBondContact O-N 3.45Å; S479-L509 PolarHBondContact OG-O 3.47Å
480V55.2Low60.9Low119 Ų11986.8 Ų86.872%0.72146%0.461SS*.  trans-83.7103.3171.1-175.20000107.3R478 E482R478-V480 PolarHBondContact O-N 3Å; V480-E482 HydrophobicContact CG1-CG 4.12Å; V480-E482 PolarHBondContact O-N 2.96Å
481N42.3Very low58.1Low129 Ų12994.8 Ų94.869%0.6950%0.504SS*.  trans-70.297.6169-89.9-3.2000108.6S479 N483S479-N481 PolarHBondContact O-N 3.45Å; N481-N483 PolarHBondContact O-N 3.37Å; N481-N483 VanDerWaalsContact O-N 3.16Å
482E42.2Very low55.6Low171 Ų171101.6 Ų101.680%0.79954%0.538SS*.THydrogen-bonded Turntrans-72.99.7174-77-173.3154.100114V480V480-E482 HydrophobicContact CG1-CG 4.12Å; V480-E482 PolarHBondContact O-N 2.96Å
483N37.2Very low52.8Low140 Ų140108.1 Ų108.175%0.74957%0.574SS**THydrogen-bonded Turntrans-102.98.7-174.6-76.3-8.5000116.5N481 T485N481-N483 PolarHBondContact O-N 3.37Å; N481-N483 VanDerWaalsContact O-N 3.16Å; N483-T485 VanDerWaalsContact C-N 3.28Å; N483-T485 PolarHBondContact O-N 3.11Å
484N36.7Very low50Low154 Ų154116.2 Ų116.282%0.82462%0.617SS**THydrogen-bonded Turntrans-85.326.7-177.4-91.76.6000115.9
485T38.5Very low47.2Very low120 Ų120123.7 Ų123.774%0.73666%0.657SS**THydrogen-bonded Turntrans-112.7-1.3173.540.30000116N483N483-T485 VanDerWaalsContact C-N 3.28Å; N483-T485 PolarHBondContact O-N 3.11Å
486N33.5Very low44.5Very low138 Ų138130.3 Ų130.374%0.73870%0.697SS**SBendtrans-148.6131.4172.3-76.9-47.3000112.5
487N36.4Very low41.6Very low157 Ų157134 Ų13484%0.8473%0.728SS**  trans93.795164.1-57-15.5000118
488N31.7Very low39.1Very low150 Ų150137.2 Ų137.280%0.80275%0.75SS**  trans-54.9147.5144-69.6-35.4000110.4
489N33.1Very low36.8Very low145 Ų145139 Ų13978%0.77576%0.762SS**  trans92.4100.2173.1-49.6-22.5000114.5
490D37.2Very low35.4Very low159 Ų159141.9 Ų141.985%0.8578%0.781SS**  -178.5109.9112.2-81.5-18.9000111.1
491N31.9Very low34.4Very low168 Ų168143.4 Ų143.490%0.89879%0.785SS**  trans-84104.9174.8-81.8-35.1000110.3
492I39.7Very low33.7Very low145 Ų145144.6 Ų144.674%0.74479%0.791SS**  trans-147.3107162.5-59-174.7000112
493N31.8Very low33.3Very low141 Ų141144 Ų14475%0.75479%0.793SS**  trans62.194.6144.1-54.8-15000121.7
494N31.6Very low33.5Very low170 Ų170142.8 Ų142.891%0.90979%0.786SS**  trans-113.2107.2152-87.7-18000110
495N30.6Very low33.3Very low158 Ų158142.7 Ų142.785%0.84579%0.786SS**  trans-110.788168-86-15.9000108.9
496V32.3Very low33.1Very low144 Ų144144.7 Ų144.787%0.87379%0.792SS**  trans-155.190.7144.3-174.30000107.8
497A28.5Very low33.6Very low83 Ų83142.6 Ų142.669%0.68678%0.778SS**  trans-76.1155151.900000107.2
498V30.6Very low34.4Very low112 Ų112140.7 Ų140.768%0.67976%0.764SS**  -163.4150.654.3-163.40000110.2
499F29.5Very low36.1Very low162 Ų162140 Ų14071%0.71176%0.759SS**SBendtrans89.675164.1-59.6-72.8000118.2
500C34Very low38.4Very low114 Ų114134.1 Ų134.177%0.7773%0.728SS**SBend-176.2102.3120.9-88.10000109.7
501N32.1Very low40.7Very low152 Ų152130.5 Ų130.581%0.81371%0.708SS**  trans19.393.4161.7-70.6-8.9000119.4N503N501-N503 VanDerWaalsContact C-N 3.3Å; N501-N503 PolarHBondContact O-N 3.19Å
502D28.6Very low43.4Very low154 Ų154123 Ų12382%0.82467%0.668SS**SBend35.623.9122.1-69.9-10.6000122.8
503N33.7Very low45.6Very low157 Ų157116.3 Ų116.384%0.8463%0.633SS**  trans-138.915.4171.6-90.1-32.3000116.3N501N501-N503 VanDerWaalsContact C-N 3.3Å; N501-N503 PolarHBondContact O-N 3.19Å
504L40.6Very low48.1Very low115 Ų115110 Ų11060%0.60260%0.601SS**  trans-98.814.9179.6-103.3122.4000115.3N506 E507L504-N506 PolarHBondContact O-N 3.28Å; L504-E507 HydrophobicContact CD2-CB 4.14Å
505N33.6Very low50.5Low153 Ų153102.5 Ų102.582%0.81856%0.561SS**THydrogen-bonded Turntrans-7212.2-174.3-74.9-12.4000115.9
506N35Very low53Low161 Ų16195 Ų9586%0.86152%0.521SS*.THydrogen-bonded Turntrans-147.68174.8-96.8-26.8000115.5L504 Q508L504-N506 PolarHBondContact O-N 3.28Å; N506-Q508 PolarHBondContact O-N 2.82Å; N506-Q508 VanDerWaalsContact O-N 3.17Å
507E44.2Very low55.5Low94 Ų9489.6 Ų89.644%0.43949%0.489SS..SBendtrans-86.195.8175.4-69.2-17117200109.7L504 K544L504-E507 HydrophobicContact CD2-CB 4.14Å; E507-K544 IonicContact OE1-NZ 3.86Å; E507-K544 PolarHBondContact OE1-NZ 3.37Å; E507-K544 IonicContact OE2-NZ 2.82Å
508Q53.2Low58.3Low118 Ų11885.7 Ų85.755%0.55146%0.457SS*.  trans-23.9128.9172.7-66.3171.3-12.600112.9N506 I510N506-Q508 PolarHBondContact O-N 2.82Å; N506-Q508 VanDerWaalsContact O-N 3.17Å; Q508-I510 PolarHBondContact O-N 2.84Å
509L67.1Low61Low135 Ų13580.4 Ų80.471%0.70743%0.425SS*.  trans-54.598.2175.4-112.7109.5000110.1S479 N511S479-L509 PolarHBondContact OG-O 3.47Å; L509-N511 PolarHBondContact O-N 2.81Å
510I81.2Confident63.8Low21 Ų2173.3 Ų73.311%0.10840%0.396CS..EExtended strand (participates in β ladder)trans-74120.6171-57.3-179.8000107.2P476 E477 Q508 Y512 R527 V532 T534P476-I510 HydrophobicContact CB-CG2 3.7Å; E477-I510 WeakPolarHBondContact O-CA 3.28Å; Q508-I510 PolarHBondContact O-N 2.84Å; I510-Y512 HydrophobicContact CG2-CD1 4.19Å; I510-Y512 HydrophobicContact CG2-CE1 3.79Å; I510-R527 PolarHBondContact O-NH1 2.85Å; I510-V532 HydrophobicContact CD1-CG1 4.4Å; I510-T534 HydrophobicContact CD1-CG2 4.29Å
511N84.8Confident66.5Low83 Ų8368.2 Ų68.244%0.44436%0.362SS..EExtended strand (participates in β ladder)trans-89.8133.1170.8-169.119.2000109.4E477 L509E477-N511 PolarHBondContact N-O 3.29Å; E477-N511 PolarHBondContact O-N 2.94Å; L509-N511 PolarHBondContact O-N 2.81Å
512Y87.8Confident69.4Low11 Ų1161.1 Ų61.14%0.04332%0.324CS..EExtended strand (participates in β ladder)trans-99.5105.5-179.2-72.7-47.1000109.7V474 P476 I510 V523 K524 R527 F533V474-Y512 HydrophobicContact CG1-CD1 3.96Å; V474-Y512 HydrophobicContact CG1-CG 4.08Å; P476-Y512 HydrophobicContact CB-CD1 4.35Å; P476-Y512 HydrophobicContact CB-CE1 4.21Å; I510-Y512 HydrophobicContact CG2-CD1 4.19Å; I510-Y512 HydrophobicContact CG2-CE1 3.79Å; Y512-V523 HydrophobicContact CD1-CG1 4.08Å; Y512-V523 HydrophobicContact CD2-CG1 3.98Å; Y512-V523 HydrophobicContact CE1-CG1 4Å; Y512-V523 HydrophobicContact CE2-CG1 3.85Å; Y512-V523 HydrophobicContact CG-CG1 4.11Å; Y512-K524 HydrophobicContact CD2-CG 4.04Å; Y512-R527 HydrophobicContact CE2-CB 4.03Å; Y512-R527 HydrophobicContact CE2-CG 4.4Å; Y512-F533 HydrophobicContact CD1-CD1 4.03Å; Y512-F533 HydrophobicContact CE1-CB 4.12Å; Y512-F533 AromaticContact CE1-CD1 3.64Å; Y512-F533 HydrophobicContact CE1-CD1 3.64Å; Y512-F533 HydrophobicContact CE1-CG 4.31Å; Y512-F533 WeakPolarHBondContact CE1-O 3.44Å; Y512-F533 PolarHBondContact OH-N 3.23Å; Y512-F533 PolarHBondContact OH-O 3.31Å
513Q86.3Confident72.4Confident5 Ų553.8 Ų53.82%0.02329%0.285CS..EExtended strand (participates in β ladder)trans-87.3121.8176.7-60.7-172.2-23.400109.3N216 V474 V475 E477N216-Q513 HydrophobicContact CB-CB 4.06Å; N216-Q513 HydrophobicContact CB-CG 4.08Å; N216-Q513 PolarHBondContact O-NE2 2.86Å; N216-Q513 VanDerWaalsContact O-NE2 3.12Å; N216-Q513 PolarHBondContact O-OE1 3.49Å; V474-Q513 CarbonylContact C-O 3.53Å; V474-Q513 VanDerWaalsContact CA-O 3.32Å; V474-Q513 WeakPolarHBondContact CA-O 3.42Å; V474-Q513 WeakPolarHBondContact CG1-O 3.48Å; V475-Q513 HydrophobicContact CB-CB 4.44Å; V475-Q513 PolarHBondContact N-O 3.4Å; V475-Q513 PolarHBondContact O-N 3.41Å; E477-Q513 HydrophobicContact CB-CG 4.39Å; E477-Q513 VanDerWaalsContact CD-NE2 3.29Å; E477-Q513 PolarHBondContact OE2-NE2 3.45Å
514A85Confident75.1Confident8 Ų851.6 Ų51.67%0.06627%0.268CS..  trans-135.1149.2179.900000110.4L151 N216 V474 S516 A520L151-A514 WeakPolarHBondContact CD1-O 3.37Å; N216-A514 PolarHBondContact ND2-N 2.8Å; N216-A514 PolarHBondContact ND2-O 3.25Å; V474-A514 HydrophobicContact CB-CB 4.41Å; V474-A514 HydrophobicContact CG1-CB 4.39Å; V474-A514 HydrophobicContact CG2-CB 3.76Å; A514-S516 VanDerWaalsContact CB-O 3.27Å; A514-S516 WeakPolarHBondContact CB-O 3.32Å; A514-A520 HydrophobicContact CB-CB 3.84Å
515S81.3Confident77.5Confident12 Ų1246.2 Ų46.28%0.08424%0.24CC..SBendtrans-72.8-39.5168.955.70000111.3L151 Q1170L151-S515 PolarHBondContact N-O 3.48Å; S515-Q1170 PolarHBondContact OG-NE2 3.36Å
516S83.7Confident80.2Confident0 Ų039 Ų390%020%0.201CC..SBendtrans-100.3128.3176.1175.10000111.6A514 D518 E519 A520 S1169A514-S516 VanDerWaalsContact CB-O 3.27Å; A514-S516 WeakPolarHBondContact CB-O 3.32Å; S516-D518 PolarHBondContact O-N 3.06Å; S516-D518 PolarHBondContact OG-N 3.49Å; S516-E519 PolarHBondContact O-N 3.07Å; S516-A520 PolarHBondContact O-N 3.24Å; S516-S1169 WeakPolarHBondContact CB-O 3.2Å; S516-S1169 PolarHBondContact OG-O 3.03Å
517P84.9Confident82.8Confident32 Ų3235.2 Ų35.221%0.20818%0.175CC..Hα-helixtrans-67.8-25.7174.329.8-35.4000112.3M423 A520 A521M423-P517 HydrophobicContact CB-CB 4.4Å; M423-P517 HydrophobicContact CE-CG 4.13Å; M423-P517 HydrophobicContact CG-CB 3.68Å; M423-P517 HydrophobicContact CG-CG 3.93Å; P517-A520 PolarHBondContact O-N 3.15Å; P517-A521 PolarHBondContact O-N 3.07Å
518D86.5Confident84.8Confident1 Ų135.2 Ų35.21%0.00518%0.182CC..Hα-helixtrans-63.2-45.8175.2-61.2-32.6000110S516 A520 A521 L522 R616 I670 F1168 S1169S516-D518 PolarHBondContact O-N 3.06Å; S516-D518 PolarHBondContact OG-N 3.49Å; D518-A520 PolarHBondContact O-N 3.48Å; D518-A521 PolarHBondContact O-N 3.29Å; D518-L522 WeakPolarHBondContact O-CG 3.49Å; D518-L522 PolarHBondContact O-N 2.94Å; D518-R616 IonicContact OD1-NH1 3.96Å; D518-R616 PolarHBondContact OD1-NH1 2.87Å; D518-R616 IonicContact OD2-NH1 3.96Å; D518-R616 PolarHBondContact OD2-NH1 3.09Å; D518-I670 HydrophobicContact CB-CD1 3.98Å; D518-F1168 HydrophobicContact CB-CD2 4.1Å; D518-F1168 HydrophobicContact CB-CE2 3.97Å; D518-S1169 PolarHBondContact OD2-N 3.39Å
519E88.1Confident86.4Confident0 Ų030.4 Ų30.40%016%0.159CC..Hα-helixtrans-64-39.4175.7-66.3-161.414900112.7T473 V474 S516 A521 L522 V523 K583 F1168T473-E519 WeakPolarHBondContact CA-OE2 3.41Å; T473-E519 WeakPolarHBondContact CB-OE2 3.22Å; T473-E519 PolarHBondContact N-OE2 3.25Å; T473-E519 PolarHBondContact OG1-OE2 2.84Å; V474-E519 HydrophobicContact CG2-CB 3.93Å; S516-E519 PolarHBondContact O-N 3.07Å; E519-A521 VanDerWaalsContact C-N 3.29Å; E519-A521 PolarHBondContact O-N 2.81Å; E519-L522 PolarHBondContact O-N 3.06Å; E519-V523 WeakPolarHBondContact O-CG2 3.46Å; E519-V523 PolarHBondContact O-N 2.78Å; E519-K583 IonicContact OE1-NZ 2.89Å; E519-K583 PolarHBondContact OE1-NZ 3.06Å; E519-F1168 HydrophobicContact CG-CE2 4.22Å; E519-F1168 HydrophobicContact CG-CZ 3.85Å
520A88.6Confident87.2Confident13 Ų1325.4 Ų25.411%0.10714%0.141CC..Hα-helixtrans-60.6-41.6175.300000111.4A514 S516 P517 D518 K524A514-A520 HydrophobicContact CB-CB 3.84Å; S516-A520 PolarHBondContact O-N 3.24Å; P517-A520 PolarHBondContact O-N 3.15Å; D518-A520 PolarHBondContact O-N 3.48Å; A520-K524 VanDerWaalsContact O-CB 3.3Å; A520-K524 WeakPolarHBondContact O-CB 3.24Å; A520-K524 WeakPolarHBondContact O-CG 3.38Å; A520-K524 PolarHBondContact O-N 3.26Å
521A90.6Very high87.7Confident7 Ų724.5 Ų24.56%0.05814%0.136CC..Hα-helixtrans-64.1-42.9177.100000111.9M423 P517 D518 E519 K524 A525 I670M423-A521 HydrophobicContact CB-CB 3.99Å; M423-A521 WeakPolarHBondContact O-CB 3.48Å; P517-A521 PolarHBondContact O-N 3.07Å; D518-A521 PolarHBondContact O-N 3.29Å; E519-A521 VanDerWaalsContact C-N 3.29Å; E519-A521 PolarHBondContact O-N 2.81Å; A521-K524 PolarHBondContact O-N 3.04Å; A521-A525 WeakPolarHBondContact O-CB 3.39Å; A521-A525 PolarHBondContact O-N 3.31Å; A521-I670 HydrophobicContact CB-CG2 4.37Å
522L92.7Very high87.9Confident4 Ų421.6 Ų21.62%0.02112%0.121CC..Hα-helixtrans-59.8-47.4176.2-69.9-179.2000112.6F425 L468 D518 E519 A525 A526 L618 T668 I670F425-L522 HydrophobicContact CD2-CD2 3.91Å; F425-L522 HydrophobicContact CE2-CD2 3.94Å; L468-L522 HydrophobicContact CD2-CB 4.12Å; L468-L522 HydrophobicContact CD2-CD1 4.08Å; L468-L522 HydrophobicContact CD2-CD2 3.79Å; L468-L522 HydrophobicContact CD2-CG 4.2Å; D518-L522 WeakPolarHBondContact O-CG 3.49Å; D518-L522 PolarHBondContact O-N 2.94Å; E519-L522 PolarHBondContact O-N 3.06Å; L522-A525 WeakPolarHBondContact O-CB 3.3Å; L522-A525 PolarHBondContact O-N 3.3Å; L522-A526 PolarHBondContact O-N 3.18Å; L522-L618 HydrophobicContact CD1-CD1 4.04Å; L522-T668 HydrophobicContact CD2-CG2 3.86Å; L522-I670 HydrophobicContact CD2-CD1 3.82Å; L522-I670 HydrophobicContact CD2-CG1 4.31Å; L522-I670 HydrophobicContact CG-CD1 3.95Å
523V92.4Very high88.1Confident0 Ų021.1 Ų21.10%012%0.119CC..Hα-helixtrans-70.7-37.5-179.71780000111.4H472 V474 Y512 E519 A525 A526 R527 F533H472-V523 HydrophobicContact CB-CG2 4.09Å; H472-V523 WeakPolarHBondContact CD2-CG2 3.42Å; V474-V523 HydrophobicContact CB-CG2 4.23Å; V474-V523 HydrophobicContact CG2-CB 4.38Å; V474-V523 HydrophobicContact CG2-CG2 3.71Å; Y512-V523 HydrophobicContact CD1-CG1 4.08Å; Y512-V523 HydrophobicContact CD2-CG1 3.98Å; Y512-V523 HydrophobicContact CE1-CG1 4Å; Y512-V523 HydrophobicContact CE2-CG1 3.85Å; Y512-V523 HydrophobicContact CG-CG1 4.11Å; E519-V523 WeakPolarHBondContact O-CG2 3.46Å; E519-V523 PolarHBondContact O-N 2.78Å; V523-A525 VanDerWaalsContact C-N 3.32Å; V523-A525 PolarHBondContact O-N 2.92Å; V523-A526 PolarHBondContact O-N 2.83Å; V523-R527 PolarHBondContact O-N 3.4Å; V523-F533 HydrophobicContact CG1-CB 4.26Å; V523-F533 HydrophobicContact CG1-CD1 4.32Å
524K90.5Very high88.2Confident111 Ų11121.5 Ų21.548%0.48312%0.122SC..Hα-helixtrans-62.1-39.9172.9-76.3174-178178.70111.8Y512 A520 A521 R527 T528Y512-K524 HydrophobicContact CD2-CG 4.04Å; A520-K524 VanDerWaalsContact O-CB 3.3Å; A520-K524 WeakPolarHBondContact O-CB 3.24Å; A520-K524 WeakPolarHBondContact O-CG 3.38Å; A520-K524 PolarHBondContact O-N 3.26Å; A521-K524 PolarHBondContact O-N 3.04Å; K524-R527 PolarHBondContact O-N 3.31Å; K524-T528 PolarHBondContact O-N 2.88Å; K524-T528 PolarHBondContact O-OG1 3.41Å
525A90Very high88.5Confident2 Ų222 Ų222%0.01712%0.124CC..Hα-helixtrans-62.8-45.9174.200000111.4F425 L445 A521 L522 V523 R527 T528 M529F425-A525 HydrophobicContact CB-CB 3.68Å; F425-A525 HydrophobicContact CD1-CB 3.95Å; F425-A525 HydrophobicContact CD2-CB 3.93Å; F425-A525 HydrophobicContact CE2-CB 4.49Å; F425-A525 HydrophobicContact CG-CB 3.59Å; L445-A525 HydrophobicContact CD1-CB 4.4Å; L445-A525 HydrophobicContact CD2-CB 4.24Å; A521-A525 WeakPolarHBondContact O-CB 3.39Å; A521-A525 PolarHBondContact O-N 3.31Å; L522-A525 WeakPolarHBondContact O-CB 3.3Å; L522-A525 PolarHBondContact O-N 3.3Å; V523-A525 VanDerWaalsContact C-N 3.32Å; V523-A525 PolarHBondContact O-N 2.92Å; A525-R527 PolarHBondContact O-N 2.78Å; A525-T528 WeakPolarHBondContact O-CB 3.39Å; A525-T528 PolarHBondContact O-N 3.17Å; A525-M529 WeakPolarHBondContact O-CG 3.21Å; A525-M529 PolarHBondContact O-N 3.41Å
526A90.7Very high88.9Confident0 Ų021.4 Ų21.40%012%0.12CC..Hα-helixtrans-60.2-42.9176.100000112.4F465 L468 A469 L522 V523 T528 M529 G530 Y531F465-A526 HydrophobicContact CD1-CB 4.43Å; L468-A526 HydrophobicContact CB-CB 4.16Å; A469-A526 HydrophobicContact CB-CB 4.09Å; L522-A526 PolarHBondContact O-N 3.18Å; V523-A526 PolarHBondContact O-N 2.83Å; A526-T528 VanDerWaalsContact C-N 3.33Å; A526-T528 PolarHBondContact O-N 3.03Å; A526-M529 CarbonylContact O-C 3.51Å; A526-M529 PolarHBondContact O-N 3.02Å; A526-G530 PolarHBondContact O-N 2.9Å; A526-Y531 CarbonylContact C-O 3.57Å; A526-Y531 VanDerWaalsContact C-O 3.32Å; A526-Y531 WeakPolarHBondContact O-CA 3.33Å; A526-Y531 WeakPolarHBondContact O-CB 3.38Å; A526-Y531 PolarHBondContact O-N 2.77Å
527R89.2Confident89.3Confident82 Ų8222.1 Ų22.131%0.30912%0.124SC..Hα-helixtrans-57.9-44.7174172.1178.9174.2177.31.4111.9I510 Y512 V523 K524 A525 M529 G530 Y531 V532I510-R527 PolarHBondContact O-NH1 2.85Å; Y512-R527 HydrophobicContact CE2-CB 4.03Å; Y512-R527 HydrophobicContact CE2-CG 4.4Å; V523-R527 PolarHBondContact O-N 3.4Å; K524-R527 PolarHBondContact O-N 3.31Å; A525-R527 PolarHBondContact O-N 2.78Å; R527-M529 PolarHBondContact O-N 3.45Å; R527-G530 PolarHBondContact O-N 2.86Å; R527-Y531 WeakPolarHBondContact CA-O 3.12Å; R527-Y531 PolarHBondContact N-O 2.86Å; R527-V532 HydrophobicContact CG-CG2 4.3Å
528T86.9Confident89.5Confident95 Ų9522.5 Ų22.558%0.58313%0.127SC*.Hα-helixtrans-61.8-33.2-179.4-53.60000111.3L445 K524 A525 A526 G530L445-T528 HydrophobicContact CD1-CG2 4.3Å; K524-T528 PolarHBondContact O-N 2.88Å; K524-T528 PolarHBondContact O-OG1 3.41Å; A525-T528 WeakPolarHBondContact O-CB 3.39Å; A525-T528 PolarHBondContact O-N 3.17Å; A526-T528 VanDerWaalsContact C-N 3.33Å; A526-T528 PolarHBondContact O-N 3.03Å; T528-G530 VanDerWaalsContact C-N 3.29Å; T528-G530 PolarHBondContact O-N 3.46Å
529M86Confident89.7Confident17 Ų1726.8 Ų26.88%0.08415%0.153CC..THydrogen-bonded Turntrans-86.511.1176.2-57.5-59.9-74.900113.9L445 L450 L454 F465 A525 A526 R527 Y531L445-M529 HydrophobicContact CD2-CG 3.63Å; L445-M529 HydrophobicContact CD2-SD 3.65Å; L450-M529 HydrophobicContact CD2-CE 3.7Å; L450-M529 HydrophobicContact CG-CE 3.75Å; L454-M529 HydrophobicContact CD2-CB 4.33Å; L454-M529 HydrophobicContact CD2-CE 4.04Å; L454-M529 WeakPolarHBondContact CD2-O 3.31Å; F465-M529 HydrophobicContact CD1-CB 4.25Å; F465-M529 HydrophobicContact CD1-CG 4.26Å; F465-M529 HydrophobicContact CE1-CB 4.15Å; F465-M529 HydrophobicContact CE1-CG 3.66Å; F465-M529 HydrophobicContact CE2-CB 4.41Å; F465-M529 HydrophobicContact CE2-CE 4.25Å; F465-M529 HydrophobicContact CE2-CG 4.18Å; F465-M529 HydrophobicContact CG-CB 4.45Å; F465-M529 HydrophobicContact CZ-CB 4.24Å; F465-M529 HydrophobicContact CZ-CE 4.23Å; F465-M529 HydrophobicContact CZ-CG 3.63Å; A525-M529 WeakPolarHBondContact O-CG 3.21Å; A525-M529 PolarHBondContact O-N 3.41Å; A526-M529 CarbonylContact O-C 3.51Å; A526-M529 PolarHBondContact O-N 3.02Å; R527-M529 PolarHBondContact O-N 3.45Å; M529-Y531 HydrophobicContact CB-CD2 4.26Å; M529-Y531 WeakPolarHBondContact O-CD2 3.44Å
530G84.9Confident89.9Confident30 Ų3029.9 Ų29.931%0.30917%0.168SC..THydrogen-bonded Turntrans86.614.1175.800000116A526 R527 T528 R546A526-G530 PolarHBondContact O-N 2.9Å; R527-G530 PolarHBondContact O-N 2.86Å; T528-G530 VanDerWaalsContact C-N 3.29Å; T528-G530 PolarHBondContact O-N 3.46Å; G530-R546 PolarHBondContact O-N 2.99Å
531Y90.1Very high90Very high1 Ų129.3 Ų29.30%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-103.784171.9-61-103.3000108.6L454 D462 F465 A526 R527 M529 I545L454-Y531 HydrophobicContact CD1-CE2 3.8Å; L454-Y531 WeakPolarHBondContact CD1-OH 3.37Å; D462-Y531 WeakPolarHBondContact CA-OH 3.44Å; D462-Y531 WeakPolarHBondContact OD1-CE1 3.41Å; D462-Y531 PolarHBondContact OD1-OH 2.59Å; F465-Y531 HydrophobicContact CB-CD1 4.07Å; F465-Y531 HydrophobicContact CB-CD2 3.49Å; F465-Y531 VanDerWaalsContact CB-CD2 3.49Å; F465-Y531 HydrophobicContact CB-CE1 4.09Å; F465-Y531 HydrophobicContact CB-CE2 3.53Å; F465-Y531 HydrophobicContact CB-CG 3.81Å; F465-Y531 HydrophobicContact CD2-CE2 4.25Å; F465-Y531 HydrophobicContact CG-CD2 4.13Å; F465-Y531 HydrophobicContact CG-CE2 4.08Å; A526-Y531 CarbonylContact C-O 3.57Å; A526-Y531 VanDerWaalsContact C-O 3.32Å; A526-Y531 WeakPolarHBondContact O-CA 3.33Å; A526-Y531 WeakPolarHBondContact O-CB 3.38Å; A526-Y531 PolarHBondContact O-N 2.77Å; R527-Y531 WeakPolarHBondContact CA-O 3.12Å; R527-Y531 PolarHBondContact N-O 2.86Å; M529-Y531 HydrophobicContact CB-CD2 4.26Å; M529-Y531 WeakPolarHBondContact O-CD2 3.44Å; Y531-I545 HydrophobicContact CD1-CB 4.29Å; Y531-I545 HydrophobicContact CD1-CD1 3.92Å; Y531-I545 HydrophobicContact CD1-CG1 3.83Å; Y531-I545 HydrophobicContact CD1-CG2 3.77Å; Y531-I545 HydrophobicContact CE1-CB 4.44Å; Y531-I545 HydrophobicContact CE1-CD1 4.14Å; Y531-I545 HydrophobicContact CE1-CG1 4.3Å; Y531-I545 HydrophobicContact CE1-CG2 3.46Å; Y531-I545 VanDerWaalsContact CE1-CG2 3.46Å
532V91Very high90.1Very high23 Ų2329.4 Ų29.414%0.13916%0.162CC..EExtended strand (participates in β ladder)trans-90.8111.9-172.1-172.60000109.8I510 R527 T534 V543 K544I510-V532 HydrophobicContact CD1-CG1 4.4Å; R527-V532 HydrophobicContact CG-CG2 4.3Å; V532-T534 HydrophobicContact CG1-CG2 4.1Å; V532-T534 PolarHBondContact O-N 3.48Å; V532-V543 CarbonylContact O-C 3.53Å; V532-V543 WeakPolarHBondContact O-CA 3.49Å; V532-K544 HydrophobicContact CB-CB 4.32Å; V532-K544 PolarHBondContact N-O 3.45Å; V532-K544 PolarHBondContact O-N 3.19Å
533F91.2Very high90.1Very high0 Ų029.2 Ų29.20%016%0.161CC..EExtended strand (participates in β ladder)trans-73.9118169.5169-126.2000109.6H472 V474 P476 Y512 V523 T535 R536 V541 V543H472-F533 AromaticContact CE1-CD1 3.6Å; H472-F533 AromaticContact CE1-CE1 3.45Å; H472-F533 VanDerWaalsContact CE1-CE1 3.45Å; H472-F533 WeakPolarHBondContact CE1-CE1 3.38Å; H472-F533 AromaticContact CE1-CZ 3.73Å; H472-F533 AromaticContact NE2-CD1 3.99Å; V474-F533 VanDerWaalsContact O-CE1 3.26Å; V474-F533 WeakPolarHBondContact O-CE1 3.21Å; P476-F533 HydrophobicContact CB-CD1 4.1Å; P476-F533 HydrophobicContact CB-CE1 3.85Å; P476-F533 HydrophobicContact CB-CZ 4.41Å; P476-F533 VanDerWaalsContact CD-CZ 3.45Å; P476-F533 HydrophobicContact CG-CD1 4.14Å; P476-F533 HydrophobicContact CG-CE1 3.51Å; P476-F533 HydrophobicContact CG-CE2 4.21Å; P476-F533 HydrophobicContact CG-CZ 3.59Å; Y512-F533 HydrophobicContact CD1-CD1 4.03Å; Y512-F533 HydrophobicContact CE1-CB 4.12Å; Y512-F533 AromaticContact CE1-CD1 3.64Å; Y512-F533 HydrophobicContact CE1-CD1 3.64Å; Y512-F533 HydrophobicContact CE1-CG 4.31Å; Y512-F533 WeakPolarHBondContact CE1-O 3.44Å; Y512-F533 PolarHBondContact OH-N 3.23Å; Y512-F533 PolarHBondContact OH-O 3.31Å; V523-F533 HydrophobicContact CG1-CB 4.26Å; V523-F533 HydrophobicContact CG1-CD1 4.32Å; F533-T535 WeakPolarHBondContact CE2-O 3.4Å; F533-R536 HydrophobicContact CE2-CB 4.1Å; F533-R536 HydrophobicContact CZ-CB 3.77Å; F533-V541 HydrophobicContact CD2-CG1 3.75Å; F533-V541 HydrophobicContact CE2-CB 4.34Å; F533-V541 HydrophobicContact CE2-CG1 3.61Å; F533-V541 HydrophobicContact CE2-CG2 4.03Å; F533-V543 HydrophobicContact CD2-CG2 4.47Å
534T89.1Confident90Very high13 Ų1331.2 Ų31.28%0.0817%0.17CC..EExtended strand (participates in β ladder)trans-109.5-45.3-169.354.10000113.6P476 I510 V532 V542 K544P476-T534 WeakPolarHBondContact CG-O 3.45Å; I510-T534 HydrophobicContact CD1-CG2 4.29Å; V532-T534 HydrophobicContact CG1-CG2 4.1Å; V532-T534 PolarHBondContact O-N 3.48Å; T534-V542 PolarHBondContact N-O 3.26Å; T534-V542 PolarHBondContact OG1-O 3.39Å; T534-K544 HydrophobicContact CG2-CB 4.14Å
535T90.1Very high89.8Confident18 Ų1826.2 Ų26.211%0.1115%0.149CC..EExtended strand (participates in β ladder)trans-142.9138.3-171-64.70000110.7R478 F533 T537 V542 S1187 T1188R478-T535 PolarHBondContact NH2-OG1 3.13Å; F533-T535 WeakPolarHBondContact CE2-O 3.4Å; T535-T537 HydrophobicContact CG2-CG2 4.45Å; T535-V542 PolarHBondContact O-N 2.77Å; T535-S1187 WeakPolarHBondContact CG2-OG 3.46Å; T535-T1188 HydrophobicContact CG2-CG2 3.58Å
536R90.9Very high89.3Confident1 Ų132.2 Ų32.20%0.00417%0.171CC..EExtended strand (participates in β ladder)trans-123131.2169.4173.7170.8-70.3-164-6.2110.3H472 T473 V474 F533 V541 S1187H472-R536 PolarHBondContact CE1-NH2 3.14Å; H472-R536 PolarHBondContact ND1-NH2 2.87Å; H472-R536 PolarHBondContact O-NH2 2.67Å; T473-R536 PolarHBondContact O-NH1 3.45Å; V474-R536 PolarHBondContact O-NE 3.06Å; V474-R536 PolarHBondContact O-NH1 3.03Å; V474-R536 VanDerWaalsContact O-NH1 3.12Å; V474-R536 PolarHBondContact O-NH2 2.73Å; F533-R536 HydrophobicContact CE2-CB 4.1Å; F533-R536 HydrophobicContact CZ-CB 3.77Å; R536-V541 HydrophobicContact CB-CG2 4.49Å; R536-V541 HydrophobicContact CG-CG2 4.39Å; R536-S1187 PolarHBondContact N-OG 2.78Å; R536-S1187 PolarHBondContact O-N 3.23Å; R536-S1187 PolarHBondContact O-OG 3.05Å
537T91Very high88.8Confident14 Ų1434.6 Ų34.69%0.08620%0.196CC..  trans-114.9167.5164.773.10000108.4T535 T539 E540 T1188T535-T537 HydrophobicContact CG2-CG2 4.45Å; T537-T539 PolarHBondContact O-N 2.9Å; T537-E540 HydrophobicContact CG2-CG 4.16Å; T537-E540 WeakPolarHBondContact CG2-OE1 3.25Å; T537-E540 PolarHBondContact N-O 3.11Å; T537-E540 PolarHBondContact O-N 2.8Å; T537-E540 VanDerWaalsContact O-O 3.13Å; T537-E540 WeakPolarHBondContact OG1-CG 3.25Å; T537-E540 PolarHBondContact OG1-N 2.86Å; T537-E540 VanDerWaalsContact OG1-N 3.09Å; T537-E540 PolarHBondContact OG1-OE1 3.22Å; T537-E540 VanDerWaalsContact OG1-OE1 3.1Å; T537-T1188 HydrophobicContact CG2-CG2 4.32Å
538P88.7Confident88.7Confident41 Ų4135.1 Ų35.127%0.26621%0.208SC..SBendtrans-54.1-24178-32.639.6000114.5R1183 Y1185P538-R1183 VanDerWaalsContact CB-O 3.31Å; P538-R1183 WeakPolarHBondContact CB-O 3.12Å; P538-R1183 WeakPolarHBondContact CG-O 3.16Å; P538-R1183 WeakPolarHBondContact O-CD 3.36Å; P538-R1183 PolarHBondContact O-NH1 3.06Å; P538-Y1185 WeakPolarHBondContact CD-O 3.42Å
539T90.6Very high88.9Confident90 Ų9036 Ų3655%0.55221%0.205SC*.SBendtrans-118.7-12.1-174.851.50000114.4T537 G553 I554T537-T539 PolarHBondContact O-N 2.9Å; T539-G553 CarbonylContact O-C 3.54Å; T539-I554 PolarHBondContact O-N 3.22Å
540E91.9Very high89.1Confident66 Ų6638.3 Ų38.331%0.30821%0.214SC..EExtended strand (participates in β ladder)trans-141.5152.1-173.5100.6-158.4110.100113T537 V542 H551 Y552T537-E540 HydrophobicContact CG2-CG 4.16Å; T537-E540 WeakPolarHBondContact CG2-OE1 3.25Å; T537-E540 PolarHBondContact N-O 3.11Å; T537-E540 PolarHBondContact O-N 2.8Å; T537-E540 VanDerWaalsContact O-O 3.13Å; T537-E540 WeakPolarHBondContact OG1-CG 3.25Å; T537-E540 PolarHBondContact OG1-N 2.86Å; T537-E540 VanDerWaalsContact OG1-N 3.09Å; T537-E540 PolarHBondContact OG1-OE1 3.22Å; T537-E540 VanDerWaalsContact OG1-OE1 3.1Å; E540-V542 HydrophobicContact CG-CG2 4.3Å; E540-H551 IonicContact OE2-ND1 2.59Å; E540-H551 PolarHBondContact OE2-ND1 3.44Å; E540-Y552 CarbonylContact C-O 3.56Å; E540-Y552 WeakPolarHBondContact CA-O 3.5Å
541V92.1Very high89.5Confident0 Ų041.3 Ų41.30%022%0.22CC..EExtended strand (participates in β ladder)trans-123.8128.7170.71590000108.8F533 R536 V543 Y552 I554F533-V541 HydrophobicContact CD2-CG1 3.75Å; F533-V541 HydrophobicContact CE2-CB 4.34Å; F533-V541 HydrophobicContact CE2-CG1 3.61Å; F533-V541 HydrophobicContact CE2-CG2 4.03Å; R536-V541 HydrophobicContact CB-CG2 4.49Å; R536-V541 HydrophobicContact CG-CG2 4.39Å; V541-V543 HydrophobicContact CG1-CG2 3.76Å; V541-Y552 PolarHBondContact N-O 3.23Å; V541-Y552 PolarHBondContact O-N 3.49Å; V541-I554 HydrophobicContact CB-CD1 4.4Å; V541-I554 HydrophobicContact CG2-CD1 3.49Å; V541-I554 VanDerWaalsContact CG2-CD1 3.49Å; V541-I554 HydrophobicContact CG2-CG1 4.17Å
542V92.7Very high89.7Confident9 Ų941.9 Ų41.96%0.05522%0.222CC..EExtended strand (participates in β ladder)trans-104.2122.1177.1-172.10000108.7T534 T535 E540 E549 K550T534-V542 PolarHBondContact N-O 3.26Å; T534-V542 PolarHBondContact OG1-O 3.39Å; T535-V542 PolarHBondContact O-N 2.77Å; E540-V542 HydrophobicContact CG-CG2 4.3Å; V542-E549 HydrophobicContact CG1-CB 4.26Å; V542-K550 WeakPolarHBondContact CA-O 3.37Å
543V91.4Very high89.8Confident0 Ų041.9 Ų41.90%023%0.227CC..EExtended strand (participates in β ladder)trans-122.5127.3176.9-173.70000108.6A469 V470 V532 F533 V541 I545 K550A469-V543 HydrophobicContact CB-CG1 3.92Å; A469-V543 HydrophobicContact CB-CG2 4.36Å; V470-V543 HydrophobicContact CG2-CG2 3.93Å; V532-V543 CarbonylContact O-C 3.53Å; V532-V543 WeakPolarHBondContact O-CA 3.49Å; F533-V543 HydrophobicContact CD2-CG2 4.47Å; V541-V543 HydrophobicContact CG1-CG2 3.76Å; V543-I545 HydrophobicContact CB-CG1 4.41Å; V543-I545 HydrophobicContact CG1-CD1 4.5Å; V543-I545 HydrophobicContact CG1-CG1 3.85Å; V543-I545 PolarHBondContact O-N 2.84Å; V543-K550 PolarHBondContact N-O 2.8Å; V543-K550 PolarHBondContact O-N 3.05Å
544K90.8Very high89.9Confident43 Ų4342.1 Ų42.119%0.18723%0.229CC..EExtended strand (participates in β ladder)trans-88.2103.8172.9-172.1173.5-179.1170.80108.7E507 V532 T534 G547 V548 E549E507-K544 IonicContact OE1-NZ 3.86Å; E507-K544 PolarHBondContact OE1-NZ 3.37Å; E507-K544 IonicContact OE2-NZ 2.82Å; V532-K544 HydrophobicContact CB-CB 4.32Å; V532-K544 PolarHBondContact N-O 3.45Å; V532-K544 PolarHBondContact O-N 3.19Å; T534-K544 HydrophobicContact CG2-CB 4.14Å; K544-G547 VanDerWaalsContact CE-O 3.28Å; K544-G547 WeakPolarHBondContact CE-O 3.49Å; K544-V548 CarbonylContact C-O 3.59Å; K544-V548 WeakPolarHBondContact CA-O 3.49Å; K544-E549 HydrophobicContact CB-CG 4.33Å; K544-E549 HydrophobicContact CG-CG 4.32Å
545I87.1Confident90.1Very high6 Ų643 Ų433%0.03123%0.233CC..EExtended strand (participates in β ladder)trans-101115.7179.6-55.6-172.7000108T466 Y531 V543 G547 V548 K550T466-I545 HydrophobicContact CG2-CD1 4.28Å; Y531-I545 HydrophobicContact CD1-CB 4.29Å; Y531-I545 HydrophobicContact CD1-CD1 3.92Å; Y531-I545 HydrophobicContact CD1-CG1 3.83Å; Y531-I545 HydrophobicContact CD1-CG2 3.77Å; Y531-I545 HydrophobicContact CE1-CB 4.44Å; Y531-I545 HydrophobicContact CE1-CD1 4.14Å; Y531-I545 HydrophobicContact CE1-CG1 4.3Å; Y531-I545 HydrophobicContact CE1-CG2 3.46Å; Y531-I545 VanDerWaalsContact CE1-CG2 3.46Å; V543-I545 HydrophobicContact CB-CG1 4.41Å; V543-I545 HydrophobicContact CG1-CD1 4.5Å; V543-I545 HydrophobicContact CG1-CG1 3.85Å; V543-I545 PolarHBondContact O-N 2.84Å; I545-G547 PolarHBondContact O-N 3.11Å; I545-G547 VanDerWaalsContact O-N 3.16Å; I545-V548 PolarHBondContact N-O 3.21Å; I545-V548 PolarHBondContact O-N 3.19Å; I545-K550 HydrophobicContact CD1-CD 3.86Å; I545-K550 HydrophobicContact CG1-CD 4.41Å
546R78.7Confident90.2Very high128 Ų12844 Ų4448%0.48324%0.236SC..THydrogen-bonded Turntrans52.137.9-179.9-55.7177.8-174.1-150.4-6.6113.2L454 G530 V548L454-R546 PolarHBondContact O-NH2 3.5Å; G530-R546 PolarHBondContact O-N 2.99Å; R546-V548 VanDerWaalsContact C-N 3.33Å; R546-V548 PolarHBondContact O-N 3.14Å
547G79.7Confident90.1Very high50 Ų5044.4 Ų44.452%0.51524%0.239SC..THydrogen-bonded Turntrans88.7-13.8-178.700000115.5K544 I545K544-G547 VanDerWaalsContact CE-O 3.28Å; K544-G547 WeakPolarHBondContact CE-O 3.49Å; I545-G547 PolarHBondContact O-N 3.11Å; I545-G547 VanDerWaalsContact O-N 3.16Å
548V88.1Confident90.2Very high93 Ų9344 Ų4456%0.56424%0.236SC*.EExtended strand (participates in β ladder)trans-97.4122.3-179.4-176.60000110K544 I545 R546 K550K544-V548 CarbonylContact C-O 3.59Å; K544-V548 WeakPolarHBondContact CA-O 3.49Å; I545-V548 PolarHBondContact N-O 3.21Å; I545-V548 PolarHBondContact O-N 3.19Å; R546-V548 VanDerWaalsContact C-N 3.33Å; R546-V548 PolarHBondContact O-N 3.14Å; V548-K550 PolarHBondContact O-N 3.14Å
549E90.2Very high90.1Very high112 Ų11243.8 Ų43.852%0.52323%0.232SC..EExtended strand (participates in β ladder)trans-72.3125.7174.3-66.9-172.9164.700110.7V542 K544V542-E549 HydrophobicContact CG1-CB 4.26Å; K544-E549 HydrophobicContact CB-CG 4.33Å; K544-E549 HydrophobicContact CG-CG 4.32Å
550K91.8Very high89.9Confident66 Ų6640 Ų4029%0.28721%0.208SC..EExtended strand (participates in β ladder)trans-118.8134.3174.6-65-168.4-168.3171.50109.6V542 V543 I545 V548 Y552 P574V542-K550 WeakPolarHBondContact CA-O 3.37Å; V543-K550 PolarHBondContact N-O 2.8Å; V543-K550 PolarHBondContact O-N 3.05Å; I545-K550 HydrophobicContact CD1-CD 3.86Å; I545-K550 HydrophobicContact CG1-CD 4.41Å; V548-K550 PolarHBondContact O-N 3.14Å; K550-Y552 HydrophobicContact CB-CD2 4.43Å; K550-Y552 HydrophobicContact CB-CE2 3.77Å; K550-P574 HydrophobicContact CB-CG 4.02Å; K550-P574 HydrophobicContact CD-CG 4.4Å
551H92.8Very high89.4Confident93 Ų9339.1 Ų39.143%0.43121%0.207SC..EExtended strand (participates in β ladder)trans-100.8120.7179.2-67.3-110.2000110.3E540 P574E540-H551 IonicContact OE2-ND1 2.59Å; E540-H551 PolarHBondContact OE2-ND1 3.44Å; H551-P574 WeakPolarHBondContact O-CG 3.37Å
552Y93.6Very high88.5Confident13 Ų1341.9 Ų41.95%0.05123%0.226CC..EExtended strand (participates in β ladder)trans-109.1121.1174.9-69.3-96000109.4T466 V470 E540 V541 K550 E573 P574T466-Y552 HydrophobicContact CG2-CE1 4.21Å; T466-Y552 HydrophobicContact CG2-CE2 4.48Å; T466-Y552 VanDerWaalsContact CG2-OH 3.28Å; T466-Y552 WeakPolarHBondContact CG2-OH 3.12Å; V470-Y552 HydrophobicContact CG1-CG 4.44Å; V470-Y552 HydrophobicContact CG2-CD1 4.32Å; V470-Y552 HydrophobicContact CG2-CD2 3.97Å; V470-Y552 HydrophobicContact CG2-CE2 4.2Å; V470-Y552 HydrophobicContact CG2-CG 4.05Å; E540-Y552 CarbonylContact C-O 3.56Å; E540-Y552 WeakPolarHBondContact CA-O 3.5Å; V541-Y552 PolarHBondContact N-O 3.23Å; V541-Y552 PolarHBondContact O-N 3.49Å; K550-Y552 HydrophobicContact CB-CD2 4.43Å; K550-Y552 HydrophobicContact CB-CE2 3.77Å; Y552-E573 HydrophobicContact CD1-CG 4.41Å; Y552-E573 HydrophobicContact CE1-CG 4.13Å; Y552-P574 HydrophobicContact CE1-CG 4.46Å; Y552-P574 HydrophobicContact CE2-CG 4.37Å
553G93.9Very high87.9Confident23 Ų2349.8 Ų49.824%0.23726%0.261CS..EExtended strand (participates in β ladder)trans-81.2119.117600000111.1T539 L555 V571 R572T539-G553 CarbonylContact O-C 3.54Å; G553-L555 PolarHBondContact O-N 2.82Å; G553-V571 CarbonylContact O-C 3.52Å; G553-V571 VanDerWaalsContact O-CA 3.28Å; G553-V571 WeakPolarHBondContact O-CA 3.32Å; G553-R572 PolarHBondContact N-O 3.2Å; G553-R572 PolarHBondContact O-N 3.06Å
554I92.6Very high87.6Confident6 Ų650.2 Ų50.23%0.03126%0.262CS..EExtended strand (participates in β ladder)trans-80.9105.8175-59.9-176.7000109.1T539 V541 V557 V569 I1182 R1183T539-I554 PolarHBondContact O-N 3.22Å; V541-I554 HydrophobicContact CB-CD1 4.4Å; V541-I554 HydrophobicContact CG2-CD1 3.49Å; V541-I554 VanDerWaalsContact CG2-CD1 3.49Å; V541-I554 HydrophobicContact CG2-CG1 4.17Å; I554-V557 HydrophobicContact CG2-CG2 3.73Å; I554-V569 HydrophobicContact CG2-CG1 4.14Å; I554-I1182 HydrophobicContact CD1-CG2 3.89Å; I554-R1183 PolarHBondContact O-NH1 2.95Å; I554-R1183 PolarHBondContact O-NH2 3.39Å; I554-R1183 VanDerWaalsContact O-NH2 3.15Å
555L92.7Very high87.5Confident32 Ų3251 Ų5117%0.16827%0.266CS..EExtended strand (participates in β ladder)trans-82.7-53.9-179.5-61.9-178.4000111.6G553 V570 R572 I578 Y630 R1183G553-L555 PolarHBondContact O-N 2.82Å; L555-V570 HydrophobicContact CB-CB 4.39Å; L555-V570 HydrophobicContact CB-CG1 4.37Å; L555-V570 WeakPolarHBondContact CB-O 3.29Å; L555-V570 HydrophobicContact CD1-CG1 4.37Å; L555-V570 PolarHBondContact N-O 3.24Å; L555-R572 HydrophobicContact CD1-CB 4.2Å; L555-R572 HydrophobicContact CD2-CB 4.38Å; L555-R572 HydrophobicContact CG-CB 4.27Å; L555-I578 HydrophobicContact CD1-CD1 4.26Å; L555-I578 HydrophobicContact CD1-CG1 4.24Å; L555-I578 HydrophobicContact CD1-CG2 4.08Å; L555-Y630 HydrophobicContact CB-CE2 4.44Å; L555-Y630 WeakPolarHBondContact CB-OH 3.49Å; L555-Y630 HydrophobicContact CD1-CE1 4.14Å; L555-Y630 HydrophobicContact CD1-CE2 4.13Å; L555-R1183 PolarHBondContact O-NH2 3.09Å
556H92.1Very high87.7Confident39 Ų3950.9 Ų50.918%0.18127%0.265CS..EExtended strand (participates in β ladder)trans-145.6148.1176.1-71.5-84000111.1V570 Y630 W633 F637H556-V570 HydrophobicContact CB-CB 4.28Å; H556-V570 HydrophobicContact CB-CG2 4.13Å; H556-V570 PolarHBondContact N-O 3.09Å; H556-V570 PolarHBondContact O-N 2.91Å; H556-Y630 AromaticContact CD2-CZ 3.99Å; H556-Y630 PolarHBondContact CD2-OH 3.47Å; H556-Y630 PolarHBondContact NE2-OH 2.58Å; H556-W633 HydrophobicContact CB-CH2 4.15Å; H556-W633 HydrophobicContact CB-CZ3 4.1Å; H556-W633 AromaticContact CD2-CZ3 3.71Å; H556-W633 AromaticContact CG-CZ3 3.8Å; H556-F637 AromaticContact CE1-CD1 3.97Å; H556-F637 AromaticContact ND1-CD1 3.82Å; H556-F637 AromaticContact ND1-CE1 3.72Å
557V90.6Very high88.3Confident9 Ų944.9 Ų44.96%0.05524%0.242CC..EExtended strand (participates in β ladder)trans-115.2127.3174.4-179.70000107.1I554 M567 V569 I1182I554-V557 HydrophobicContact CG2-CG2 3.73Å; V557-M567 HydrophobicContact CG1-CE 3.82Å; V557-V569 HydrophobicContact CG2-CG1 4.47Å; V557-I1182 HydrophobicContact CB-CD1 4.31Å; V557-I1182 HydrophobicContact CG1-CD1 3.85Å; V557-I1182 HydrophobicContact CG2-CB 4.49Å; V557-I1182 HydrophobicContact CG2-CD1 3.61Å; V557-I1182 HydrophobicContact CG2-CG2 4.34Å
558L91.6Very high88.9Confident5 Ų542.5 Ų42.53%0.02622%0.218CC..EExtended strand (participates in β ladder)trans-102.3101.3176-54.8177.9000107.7R564 G568 W633 F637 A655 I658 E659L558-R564 VanDerWaalsContact C-NH1 3.31Å; L558-R564 PolarHBondContact O-NH1 3.5Å; L558-G568 WeakPolarHBondContact CA-O 3.05Å; L558-G568 WeakPolarHBondContact CB-O 3.15Å; L558-G568 PolarHBondContact N-O 3.39Å; L558-G568 PolarHBondContact O-N 3Å; L558-G568 VanDerWaalsContact O-N 3.1Å; L558-W633 HydrophobicContact CD2-CH2 3.91Å; L558-W633 HydrophobicContact CD2-CZ2 3.91Å; L558-F637 HydrophobicContact CD2-CE2 3.95Å; L558-A655 HydrophobicContact CD1-CB 4.2Å; L558-A655 HydrophobicContact CD2-CB 3.95Å; L558-I658 HydrophobicContact CD1-CG2 3.81Å; L558-E659 HydrophobicContact CD1-CG 3.98Å; L558-E659 WeakPolarHBondContact CD1-OE1 3.21Å
559D87.5Confident89.2Confident37 Ų3738.1 Ų38.120%0.19819%0.191CC..  trans-62.2145-169.7-61.1-16.9000112.6R564 S1177 Q1178 S1179D559-R564 PolarHBondContact O-NH1 2.79Å; D559-S1177 WeakPolarHBondContact OD2-CB 3.41Å; D559-Q1178 HydrophobicContact CB-CB 4.33Å; D559-Q1178 WeakPolarHBondContact OD1-CB 3.47Å; D559-S1179 WeakPolarHBondContact OD1-CA 3.22Å; D559-S1179 VanDerWaalsContact OD1-CB 3.24Å; D559-S1179 WeakPolarHBondContact OD1-CB 3.41Å; D559-S1179 PolarHBondContact OD1-N 3.06Å; D559-S1179 PolarHBondContact OD1-OG 3.37Å; D559-S1179 PolarHBondContact OD2-N 2.87Å; D559-S1179 PolarHBondContact OD2-OG 2.96Å
560F86Confident89.4Confident11 Ų1132.8 Ų32.85%0.04817%0.166CC..  trans-68.3136.4172.1179.1-89.5000111.3M567 Y1166 F1168 Q1170 E1172F560-M567 HydrophobicContact CB-CB 4.26Å; F560-Y1166 VanDerWaalsContact CE2-OH 3.24Å; F560-Y1166 WeakPolarHBondContact CE2-OH 3.47Å; F560-F1168 HydrophobicContact CD1-CD1 4.28Å; F560-F1168 AromaticContact CD2-CD1 3.69Å; F560-F1168 HydrophobicContact CD2-CD1 3.69Å; F560-F1168 AromaticContact CD2-CE1 3.95Å; F560-F1168 HydrophobicContact CD2-CE1 3.95Å; F560-F1168 HydrophobicContact CE1-CD1 4.12Å; F560-F1168 HydrophobicContact CE2-CB 4.36Å; F560-F1168 AromaticContact CE2-CD1 3.5Å; F560-F1168 HydrophobicContact CE2-CD1 3.5Å; F560-F1168 HydrophobicContact CE2-CE1 4.24Å; F560-F1168 HydrophobicContact CE2-CG 4.31Å; F560-F1168 HydrophobicContact CG-CD1 4.08Å; F560-F1168 HydrophobicContact CG-CE1 4.1Å; F560-F1168 HydrophobicContact CZ-CB 4.32Å; F560-F1168 AromaticContact CZ-CD1 3.73Å; F560-F1168 HydrophobicContact CZ-CD1 3.73Å; F560-Q1170 HydrophobicContact CB-CG 4.31Å; F560-Q1170 HydrophobicContact CD1-CB 3.64Å; F560-Q1170 HydrophobicContact CD1-CG 3.81Å; F560-Q1170 HydrophobicContact CE1-CB 3.93Å; F560-Q1170 HydrophobicContact CG-CB 4.31Å; F560-Q1170 HydrophobicContact CG-CG 4.29Å; F560-E1172 HydrophobicContact CE1-CG 4.45Å
561T81.4Confident89.5Confident47 Ų4729.7 Ų29.729%0.28815%0.153SC..  trans-138.5156.2168.772.70000110.4F563 R564 K565T561-F563 PolarHBondContact O-N 3.01Å; T561-R564 PolarHBondContact O-N 3.24Å; T561-R564 VanDerWaalsContact O-N 3.1Å; T561-R564 VanDerWaalsContact OG1-CB 3.3Å; T561-R564 WeakPolarHBondContact OG1-CB 3.36Å; T561-R564 WeakPolarHBondContact OG1-CG 3.4Å; T561-R564 PolarHBondContact OG1-N 3.34Å; T561-K565 PolarHBondContact O-N 2.77Å
562S74Confident89.6Confident57 Ų5731.4 Ų31.440%0.39916%0.156SC..THydrogen-bonded Turntrans-57.1-36.8176.142.50000111.7K565 E1172S562-K565 WeakPolarHBondContact O-CG 3.3Å; S562-E1172 WeakPolarHBondContact CA-OE1 3.16Å; S562-E1172 WeakPolarHBondContact CB-OE1 3.31Å; S562-E1172 WeakPolarHBondContact CB-OE2 3.35Å; S562-E1172 PolarHBondContact N-OE1 3.07Å; S562-E1172 PolarHBondContact N-OE2 3.28Å; S562-E1172 VanDerWaalsContact N-OE2 3.14Å; S562-E1172 VanDerWaalsContact OG-CD 3.3Å; S562-E1172 PolarHBondContact OG-OE2 3.35Å
563F78.9Confident89.5Confident176 Ų17632.8 Ų32.877%0.77216%0.162SC*.THydrogen-bonded Turntrans-67.6-41.4179.3-173.5-99.5000111.2T561T561-F563 PolarHBondContact O-N 3.01Å
564R86.4Confident89.2Confident9 Ų935.2 Ų35.23%0.03417%0.174CC..THydrogen-bonded Turntrans-75.3-35.1179-71.8-17992.8-139.7-7.3113.9L558 D559 T561 R566 V588 E652 E659L558-R564 VanDerWaalsContact C-NH1 3.31Å; L558-R564 PolarHBondContact O-NH1 3.5Å; D559-R564 PolarHBondContact O-NH1 2.79Å; T561-R564 PolarHBondContact O-N 3.24Å; T561-R564 VanDerWaalsContact O-N 3.1Å; T561-R564 VanDerWaalsContact OG1-CB 3.3Å; T561-R564 WeakPolarHBondContact OG1-CB 3.36Å; T561-R564 WeakPolarHBondContact OG1-CG 3.4Å; T561-R564 PolarHBondContact OG1-N 3.34Å; R564-R566 HydrophobicContact CB-CG 4.37Å; R564-R566 PolarHBondContact O-N 2.84Å; R564-R566 PolarHBondContact O-NH1 2.89Å; R564-V588 WeakPolarHBondContact O-CG1 3.29Å; R564-E652 WeakPolarHBondContact CD-OE2 3.38Å; R564-E652 WeakPolarHBondContact CG-OE2 3.25Å; R564-E652 IonicContact CZ-OE2 3.49Å; R564-E652 IonicContact NE-OE1 2.97Å; R564-E652 IonicContact NE-OE2 3.2Å; R564-E652 PolarHBondContact NE-OE2 3.02Å; R564-E659 IonicContact CZ-OE1 2.74Å; R564-E659 IonicContact CZ-OE2 2.73Å; R564-E659 IonicContact NH2-OE1 3.59Å; R564-E659 PolarHBondContact NH2-OE1 2.91Å; R564-E659 IonicContact NH2-OE2 3.54Å; R564-E659 PolarHBondContact NH2-OE2 3.29Å
565K87.6Confident89Confident59 Ų5939.4 Ų39.426%0.25720%0.196SC..  trans47.527.9-170.6-53.2-171.9174.3-168.60114.7T561 S562 G584 A585 V588 Y1166T561-K565 PolarHBondContact O-N 2.77Å; S562-K565 WeakPolarHBondContact O-CG 3.3Å; K565-G584 VanDerWaalsContact O-CA 3.3Å; K565-G584 WeakPolarHBondContact O-CA 3.35Å; K565-A585 HydrophobicContact CB-CB 3.93Å; K565-A585 HydrophobicContact CD-CB 4.36Å; K565-A585 PolarHBondContact O-N 2.9Å; K565-V588 HydrophobicContact CB-CG2 3.96Å; K565-V588 HydrophobicContact CD-CG2 4.36Å; K565-V588 HydrophobicContact CG-CG2 4.5Å; K565-Y1166 HydrophobicContact CB-CE1 4.07Å; K565-Y1166 HydrophobicContact CD-CE1 4.07Å; K565-Y1166 HydrophobicContact CG-CE1 4.3Å; K565-Y1166 PolarHBondContact O-OH 3.19Å
566R91.2Very high88.7Confident4 Ų440.2 Ų40.22%0.01521%0.212CC..EExtended strand (participates in β ladder)trans-154.9154.6178.970-167.7179-75.5-6.7111.5R564 V582 K583 V588 I589 E652 E659R564-R566 HydrophobicContact CB-CG 4.37Å; R564-R566 PolarHBondContact O-N 2.84Å; R564-R566 PolarHBondContact O-NH1 2.89Å; R566-V582 HydrophobicContact CB-CG1 4.26Å; R566-K583 CarbonylContact C-O 3.56Å; R566-K583 VanDerWaalsContact CA-O 3.29Å; R566-K583 WeakPolarHBondContact CA-O 3.4Å; R566-V588 HydrophobicContact CG-CG1 4.48Å; R566-I589 HydrophobicContact CB-CD1 4.25Å; R566-E652 IonicContact CZ-OE1 3.45Å; R566-E652 IonicContact NH1-OE1 3.25Å; R566-E652 IonicContact NH2-OE1 2.75Å; R566-E652 PolarHBondContact NH2-OE1 3.46Å; R566-E659 IonicContact CZ-OE2 2.75Å; R566-E659 IonicContact NE-OE1 3.82Å; R566-E659 IonicContact NE-OE2 2.67Å; R566-E659 PolarHBondContact NE-OE2 3.47Å; R566-E659 IonicContact NH2-OE2 2.95Å; R566-E659 PolarHBondContact NH2-OE2 3.41Å
567M91.6Very high88.8Confident1 Ų144.5 Ų44.51%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-122.1136.2172.5-173.8-164.9-174.100108.5T473 V557 F560 V569 V582 K583 I1182T473-M567 HydrophobicContact CG2-CE 3.54Å; T473-M567 HydrophobicContact CG2-SD 4.43Å; V557-M567 HydrophobicContact CG1-CE 3.82Å; F560-M567 HydrophobicContact CB-CB 4.26Å; M567-V569 HydrophobicContact CE-CG2 4.24Å; M567-V582 WeakPolarHBondContact O-CA 3.42Å; M567-V582 WeakPolarHBondContact O-CG1 3.27Å; M567-K583 HydrophobicContact CB-CG 4.19Å; M567-K583 PolarHBondContact N-O 2.85Å; M567-K583 PolarHBondContact O-N 3.44Å; M567-K583 WeakPolarHBondContact SD-CE 3.41Å; M567-I1182 HydrophobicContact CE-CD1 4.45Å
568G92.7Very high88.9Confident0 Ų044.6 Ų44.60%023%0.227CC..EExtended strand (participates in β ladder)trans-123.2145.1176.700000111.3L558 M581L558-G568 WeakPolarHBondContact CA-O 3.05Å; L558-G568 WeakPolarHBondContact CB-O 3.15Å; L558-G568 PolarHBondContact N-O 3.39Å; L558-G568 PolarHBondContact O-N 3Å; L558-G568 VanDerWaalsContact O-N 3.1Å; G568-M581 CarbonylContact C-O 3.52Å; G568-M581 WeakPolarHBondContact CA-O 3.46Å
569V93.8Very high89Confident2 Ų244.3 Ų44.31%0.01223%0.225CC..EExtended strand (participates in β ladder)trans-129.7126.6170.5-173.20000108.6C471 I554 V557 M567 V571 M581C471-V569 HydrophobicContact CB-CG2 4.46Å; I554-V569 HydrophobicContact CG2-CG1 4.14Å; V557-V569 HydrophobicContact CG2-CG1 4.47Å; M567-V569 HydrophobicContact CE-CG2 4.24Å; V569-V571 HydrophobicContact CB-CG1 4.4Å; V569-V571 HydrophobicContact CG1-CG1 3.61Å; V569-M581 PolarHBondContact N-O 3.42Å; V569-M581 PolarHBondContact O-N 2.78Å
570V94.6Very high89.3Confident0 Ų042.6 Ų42.60%022%0.216CC..EExtended strand (participates in β ladder)trans-91.5117172.6-166.90000107.8L555 H556 I578 V580 Y630 I658L555-V570 HydrophobicContact CB-CB 4.39Å; L555-V570 HydrophobicContact CB-CG1 4.37Å; L555-V570 WeakPolarHBondContact CB-O 3.29Å; L555-V570 HydrophobicContact CD1-CG1 4.37Å; L555-V570 PolarHBondContact N-O 3.24Å; H556-V570 HydrophobicContact CB-CB 4.28Å; H556-V570 HydrophobicContact CB-CG2 4.13Å; H556-V570 PolarHBondContact N-O 3.09Å; H556-V570 PolarHBondContact O-N 2.91Å; V570-I578 HydrophobicContact CG1-CG2 3.79Å; V570-V580 HydrophobicContact CG1-CG2 4.2Å; V570-V580 HydrophobicContact CG2-CG2 4.2Å; V570-Y630 HydrophobicContact CG1-CD2 4.08Å; V570-Y630 HydrophobicContact CG1-CE2 3.76Å; V570-I658 HydrophobicContact CG1-CD1 4.46Å; V570-I658 HydrophobicContact CG2-CD1 4Å
571V94.3Very high89.8Confident0 Ų042.4 Ų42.40%022%0.215CC..EExtended strand (participates in β ladder)trans-121.2148.1-175.3-610000111.7V470 G553 V569 I578 S579 M581V470-V571 HydrophobicContact CG1-CG1 3.9Å; G553-V571 CarbonylContact O-C 3.52Å; G553-V571 VanDerWaalsContact O-CA 3.28Å; G553-V571 WeakPolarHBondContact O-CA 3.32Å; V569-V571 HydrophobicContact CB-CG1 4.4Å; V569-V571 HydrophobicContact CG1-CG1 3.61Å; V571-I578 WeakPolarHBondContact O-CA 3.33Å; V571-S579 WeakPolarHBondContact CG2-OG 3.46Å; V571-S579 PolarHBondContact N-O 2.91Å; V571-S579 PolarHBondContact O-N 3.17Å; V571-M581 HydrophobicContact CG2-CE 3.62Å; V571-M581 HydrophobicContact CG2-CG 4.31Å; V571-M581 HydrophobicContact CG2-SD 3.91Å
572R94.6Very high90.4Very high130 Ų13040.1 Ų40.149%0.49120%0.202SC..EExtended strand (participates in β ladder)trans-95.5113.9162.8-173.9177.3-63.4-174.10.5108.1G553 L555 R577G553-R572 PolarHBondContact N-O 3.2Å; G553-R572 PolarHBondContact O-N 3.06Å; L555-R572 HydrophobicContact CD1-CB 4.2Å; L555-R572 HydrophobicContact CD2-CB 4.38Å; L555-R572 HydrophobicContact CG-CB 4.27Å; R572-R577 WeakPolarHBondContact CA-O 3.32Å
573E91Very high91.3Very high42 Ų4237.9 Ų37.920%0.19619%0.185CC..  trans-69.5160.5177.3-74.6-178.7-160.500111.8Y552 N575 G576 R577 S579Y552-E573 HydrophobicContact CD1-CG 4.41Å; Y552-E573 HydrophobicContact CE1-CG 4.13Å; E573-N575 WeakPolarHBondContact CB-OD1 3.2Å; E573-N575 PolarHBondContact O-N 3.06Å; E573-N575 VanDerWaalsContact O-N 3.09Å; E573-N575 PolarHBondContact OE2-ND2 3.41Å; E573-G576 PolarHBondContact O-N 3.17Å; E573-R577 PolarHBondContact N-O 3.03Å; E573-S579 WeakPolarHBondContact OE1-CB 3.43Å; E573-S579 PolarHBondContact OE1-OG 3.07Å
574P88.1Confident91.9Very high74 Ų7429.6 Ų29.648%0.48115%0.149SC..THydrogen-bonded Turntrans-56.6-25.4175.8-2329.3000114.4K550 H551 Y552 G576K550-P574 HydrophobicContact CB-CG 4.02Å; K550-P574 HydrophobicContact CD-CG 4.4Å; H551-P574 WeakPolarHBondContact O-CG 3.37Å; Y552-P574 HydrophobicContact CE1-CG 4.46Å; Y552-P574 HydrophobicContact CE2-CG 4.37Å; P574-G576 VanDerWaalsContact C-N 3.27Å; P574-G576 PolarHBondContact O-N 3.19Å
575N88.1Confident92Very high94 Ų9429.1 Ų29.150%0.50315%0.147SC..THydrogen-bonded Turntrans-80.5-2.517761.118.5000113.4E573 R577E573-N575 WeakPolarHBondContact CB-OD1 3.2Å; E573-N575 PolarHBondContact O-N 3.06Å; E573-N575 VanDerWaalsContact O-N 3.09Å; E573-N575 PolarHBondContact OE2-ND2 3.41Å; N575-R577 VanDerWaalsContact OD1-CB 3.27Å; N575-R577 WeakPolarHBondContact OD1-CB 3.39Å; N575-R577 WeakPolarHBondContact OD1-CG 3.35Å; N575-R577 PolarHBondContact OD1-N 3.43Å
576G87.7Confident92Very high48 Ų4826.4 Ų26.450%0.49514%0.135SC..SBendtrans87.9-4.8-178.200000115.5E573 P574E573-G576 PolarHBondContact O-N 3.17Å; P574-G576 VanDerWaalsContact C-N 3.27Å; P574-G576 PolarHBondContact O-N 3.19Å
577R92.5Very high91.8Very high130 Ų13028.6 Ų28.649%0.49115%0.149SC..  trans-72.8150.8176.7-61.6178.7-173.7-163.16.1111R572 E573 N575 E624R572-R577 WeakPolarHBondContact CA-O 3.32Å; E573-R577 PolarHBondContact N-O 3.03Å; N575-R577 VanDerWaalsContact OD1-CB 3.27Å; N575-R577 WeakPolarHBondContact OD1-CB 3.39Å; N575-R577 WeakPolarHBondContact OD1-CG 3.35Å; N575-R577 PolarHBondContact OD1-N 3.43Å; R577-E624 WeakPolarHBondContact CD-OE1 3.46Å; R577-E624 IonicContact NE-OE1 3.31Å; R577-E624 IonicContact NH1-OE1 3.9Å; R577-E624 IonicContact NH1-OE2 3.36Å; R577-E624 PolarHBondContact NH1-OE2 3.44Å
578I93.6Very high91.7Very high10 Ų1029.4 Ų29.45%0.05115%0.154CC..EExtended strand (participates in β ladder)trans-102.4119.4174.3-58.2177.8000107.3L555 V570 V571 V625 Y630L555-I578 HydrophobicContact CD1-CD1 4.26Å; L555-I578 HydrophobicContact CD1-CG1 4.24Å; L555-I578 HydrophobicContact CD1-CG2 4.08Å; V570-I578 HydrophobicContact CG1-CG2 3.79Å; V571-I578 WeakPolarHBondContact O-CA 3.33Å; I578-V625 HydrophobicContact CG2-CB 4.26Å; I578-V625 PolarHBondContact O-N 3.24Å; I578-Y630 HydrophobicContact CD1-CD1 3.7Å; I578-Y630 HydrophobicContact CD1-CE1 4.3Å; I578-Y630 HydrophobicContact CD1-CG 3.87Å; I578-Y630 HydrophobicContact CG2-CD2 4.22Å; I578-Y630 HydrophobicContact CG2-CG 4.42Å
579S93.6Very high91.7Very high0 Ų029.4 Ų29.40%015%0.154CC..EExtended strand (participates in β ladder)trans-123.4148.3176.455.40000110.8V571 E573 T623V571-S579 WeakPolarHBondContact CG2-OG 3.46Å; V571-S579 PolarHBondContact N-O 2.91Å; V571-S579 PolarHBondContact O-N 3.17Å; E573-S579 WeakPolarHBondContact OE1-CB 3.43Å; E573-S579 PolarHBondContact OE1-OG 3.07Å; S579-T623 CarbonylContact C-O 3.32Å; S579-T623 WeakPolarHBondContact CA-O 3.46Å
580V94.3Very high91.5Very high0 Ų031.5 Ų31.50%016%0.163CC..EExtended strand (participates in β ladder)trans-108.7119.31751800000106.7V570 V582 W622 T623 V625 I658V570-V580 HydrophobicContact CG1-CG2 4.2Å; V570-V580 HydrophobicContact CG2-CG2 4.2Å; V580-V582 HydrophobicContact CG1-CG2 3.83Å; V580-W622 CarbonylContact O-C 3.56Å; V580-W622 WeakPolarHBondContact O-CA 3.39Å; V580-T623 HydrophobicContact CB-CG2 3.98Å; V580-T623 HydrophobicContact CG2-CG2 4.42Å; V580-T623 PolarHBondContact N-O 2.55Å; V580-T623 PolarHBondContact O-N 2.88Å; V580-V625 HydrophobicContact CB-CG2 4.41Å; V580-V625 HydrophobicContact CG2-CG2 3.35Å; V580-I658 HydrophobicContact CG2-CD1 3.97Å; V580-I658 HydrophobicContact CG2-CG1 3.73Å
581M95.1Very high91.4Very high7 Ų738.7 Ų38.73%0.03420%0.197CC..EExtended strand (participates in β ladder)trans-107.4123.5179.6-61176.2175.700108.5I467 V470 C471 G568 V569 V571I467-M581 HydrophobicContact CB-SD 4.45Å; I467-M581 HydrophobicContact CD1-CG 4.4Å; I467-M581 HydrophobicContact CG1-CB 4.34Å; I467-M581 HydrophobicContact CG1-CE 4.22Å; I467-M581 HydrophobicContact CG1-CG 3.93Å; I467-M581 HydrophobicContact CG1-SD 3.84Å; I467-M581 HydrophobicContact CG2-CB 4.08Å; V470-M581 HydrophobicContact CB-SD 4.18Å; V470-M581 HydrophobicContact CG1-SD 4.03Å; C471-M581 HydrophobicContact CB-CB 4.13Å; C471-M581 PolarHBondContact SG-O 2.98Å; G568-M581 CarbonylContact C-O 3.52Å; G568-M581 WeakPolarHBondContact CA-O 3.46Å; V569-M581 PolarHBondContact N-O 3.42Å; V569-M581 PolarHBondContact O-N 2.78Å; V571-M581 HydrophobicContact CG2-CE 3.62Å; V571-M581 HydrophobicContact CG2-CG 4.31Å; V571-M581 HydrophobicContact CG2-SD 3.91Å
582V94.3Very high91.3Very high0 Ų040.2 Ų40.20%020%0.202CC..EExtended strand (participates in β ladder)trans-126.1136.9-173.9-169.30000110.5R566 M567 V580 I589 A621 E659 L662R566-V582 HydrophobicContact CB-CG1 4.26Å; M567-V582 WeakPolarHBondContact O-CA 3.42Å; M567-V582 WeakPolarHBondContact O-CG1 3.27Å; V580-V582 HydrophobicContact CG1-CG2 3.83Å; V582-I589 HydrophobicContact CB-CD1 4.38Å; V582-I589 HydrophobicContact CG1-CD1 3.53Å; V582-A621 PolarHBondContact N-O 2.88Å; V582-A621 PolarHBondContact O-N 3.47Å; V582-E659 HydrophobicContact CG2-CG 4.31Å; V582-L662 HydrophobicContact CB-CD1 4.24Å; V582-L662 HydrophobicContact CG1-CD1 4.43Å; V582-L662 HydrophobicContact CG2-CD1 4.07Å; V582-L662 HydrophobicContact CG2-CD2 3.89Å
583K93.3Very high91.2Very high9 Ų935.3 Ų35.34%0.03919%0.186CC..EExtended strand (participates in β ladder)trans-126.8138.7168.865.4-175-177.9-173.40110.2C471 E519 R566 M567 C619C471-K583 WeakPolarHBondContact O-CE 3.46Å; C471-K583 PolarHBondContact O-NZ 3.05Å; E519-K583 IonicContact OE1-NZ 2.89Å; E519-K583 PolarHBondContact OE1-NZ 3.06Å; R566-K583 CarbonylContact C-O 3.56Å; R566-K583 VanDerWaalsContact CA-O 3.29Å; R566-K583 WeakPolarHBondContact CA-O 3.4Å; M567-K583 HydrophobicContact CB-CG 4.19Å; M567-K583 PolarHBondContact N-O 2.85Å; M567-K583 PolarHBondContact O-N 3.44Å; M567-K583 WeakPolarHBondContact SD-CE 3.41Å; K583-C619 VanDerWaalsContact CA-O 3.32Å; K583-C619 WeakPolarHBondContact CA-O 3.37Å
584G91.5Very high91.1Very high2 Ų233.9 Ų33.92%0.02118%0.181CC..EExtended strand (participates in β ladder)trans178.8-168.5-178.700000115K565 C619K565-G584 VanDerWaalsContact O-CA 3.3Å; K565-G584 WeakPolarHBondContact O-CA 3.35Å; G584-C619 PolarHBondContact N-O 3.35Å; G584-C619 PolarHBondContact O-N 3.13Å
585A89.5Confident90.9Very high0 Ų036.7 Ų36.70%020%0.203CC..  trans-64.6143.4177.500000112.3K565 T587 V588 I589 Y1166K565-A585 HydrophobicContact CB-CB 3.93Å; K565-A585 HydrophobicContact CD-CB 4.36Å; K565-A585 PolarHBondContact O-N 2.9Å; A585-T587 PolarHBondContact O-N 2.85Å; A585-V588 HydrophobicContact CB-CB 4.41Å; A585-V588 HydrophobicContact CB-CG2 4.25Å; A585-V588 PolarHBondContact O-N 2.79Å; A585-I589 WeakPolarHBondContact O-CB 3.32Å; A585-I589 WeakPolarHBondContact O-CG1 3.49Å; A585-I589 PolarHBondContact O-N 2.84Å; A585-Y1166 HydrophobicContact CB-CD1 3.68Å; A585-Y1166 HydrophobicContact CB-CD2 3.45Å; A585-Y1166 VanDerWaalsContact CB-CD2 3.45Å; A585-Y1166 HydrophobicContact CB-CE1 3.79Å; A585-Y1166 HydrophobicContact CB-CE2 3.53Å; A585-Y1166 HydrophobicContact CB-CG 3.49Å; A585-Y1166 VanDerWaalsContact CB-CG 3.49Å; A585-Y1166 VanDerWaalsContact N-CE2 3.26Å
586D87Confident90.6Very high2 Ų236.8 Ų36.81%0.01121%0.207CC..Hα-helixtrans-52.6-50.8170.262.4-39000111.8V588 I589 F590 L607 H1164D586-V588 PolarHBondContact O-N 2.86Å; D586-I589 PolarHBondContact O-N 2.85Å; D586-F590 HydrophobicContact CB-CD2 4.11Å; D586-F590 HydrophobicContact CB-CE2 4.11Å; D586-F590 VanDerWaalsContact O-CB 3.27Å; D586-F590 WeakPolarHBondContact O-CB 3.22Å; D586-F590 WeakPolarHBondContact O-CD2 3.25Å; D586-F590 PolarHBondContact O-N 2.89Å; D586-L607 HydrophobicContact CB-CD1 3.89Å; D586-H1164 VanDerWaalsContact OD2-CB 3.25Å; D586-H1164 WeakPolarHBondContact OD2-CB 3.43Å; D586-H1164 IonicContact OD2-CD2 3.95Å; D586-H1164 PolarHBondContact OD2-CD2 2.97Å; D586-H1164 IonicContact OD2-CG 2.88Å
587T86.6Confident90.2Very high49 Ų4935.4 Ų35.430%0.30119%0.189SC..Hα-helixtrans-55.4-31.7179.6490000113.5A585 E591A585-T587 PolarHBondContact O-N 2.85Å; T587-E591 WeakPolarHBondContact O-CG 3.29Å
588V90.3Very high89.7Confident18 Ų1834.8 Ų34.811%0.10920%0.195CC..Hα-helixtrans-95.2-38.9-176.7-179.40000112.4R564 K565 R566 A585 D586 R592R564-V588 WeakPolarHBondContact O-CG1 3.29Å; K565-V588 HydrophobicContact CB-CG2 3.96Å; K565-V588 HydrophobicContact CD-CG2 4.36Å; K565-V588 HydrophobicContact CG-CG2 4.5Å; R566-V588 HydrophobicContact CG-CG1 4.48Å; A585-V588 HydrophobicContact CB-CB 4.41Å; A585-V588 HydrophobicContact CB-CG2 4.25Å; A585-V588 PolarHBondContact O-N 2.79Å; D586-V588 PolarHBondContact O-N 2.86Å; V588-R592 PolarHBondContact O-NH1 2.95Å
589I92.1Very high89.4Confident0 Ų037.9 Ų37.90%021%0.209CC..Hα-helixtrans-70.7-41.9-179.7-65-65.6000110R566 V582 A585 D586 E591 R592 L593 C619 A621 L662 L664R566-I589 HydrophobicContact CB-CD1 4.25Å; V582-I589 HydrophobicContact CB-CD1 4.38Å; V582-I589 HydrophobicContact CG1-CD1 3.53Å; A585-I589 WeakPolarHBondContact O-CB 3.32Å; A585-I589 WeakPolarHBondContact O-CG1 3.49Å; A585-I589 PolarHBondContact O-N 2.84Å; D586-I589 PolarHBondContact O-N 2.85Å; I589-E591 VanDerWaalsContact C-N 3.29Å; I589-E591 PolarHBondContact O-N 3.19Å; I589-R592 PolarHBondContact O-N 3.29Å; I589-L593 HydrophobicContact CG2-CD2 4.1Å; I589-L593 WeakPolarHBondContact O-CG 3.29Å; I589-L593 PolarHBondContact O-N 3.42Å; I589-C619 HydrophobicContact CB-CB 4.08Å; I589-C619 HydrophobicContact CG1-CB 4.16Å; I589-C619 HydrophobicContact CG2-CB 4.05Å; I589-A621 HydrophobicContact CG2-CB 3.89Å; I589-L662 HydrophobicContact CD1-CD1 4.47Å; I589-L664 HydrophobicContact CG2-CD1 4.44Å
590F90.5Very high89Confident46 Ų4639.3 Ų39.320%0.20222%0.22CC..G310 helixtrans-61.7-33.9-178.7-85-107.7000113.1D586 R592 L593 A600 M604 L607 L664D586-F590 HydrophobicContact CB-CD2 4.11Å; D586-F590 HydrophobicContact CB-CE2 4.11Å; D586-F590 VanDerWaalsContact O-CB 3.27Å; D586-F590 WeakPolarHBondContact O-CB 3.22Å; D586-F590 WeakPolarHBondContact O-CD2 3.25Å; D586-F590 PolarHBondContact O-N 2.89Å; F590-R592 PolarHBondContact O-N 3.11Å; F590-L593 HydrophobicContact CD1-CD1 4.07Å; F590-L593 HydrophobicContact CE1-CD1 4.5Å; F590-L593 HydrophobicContact CG-CD1 4.16Å; F590-L593 PolarHBondContact O-N 2.86Å; F590-A600 HydrophobicContact CE1-CB 4.06Å; F590-M604 HydrophobicContact CD1-CE 3.53Å; F590-M604 HydrophobicContact CD2-CE 4.16Å; F590-M604 HydrophobicContact CE1-CB 4.4Å; F590-M604 HydrophobicContact CE1-CE 3.39Å; F590-M604 HydrophobicContact CE1-SD 4.5Å; F590-M604 HydrophobicContact CE2-CE 4.01Å; F590-M604 HydrophobicContact CG-CE 3.91Å; F590-M604 HydrophobicContact CZ-CB 4.35Å; F590-M604 HydrophobicContact CZ-CE 3.63Å; F590-M604 HydrophobicContact CZ-SD 4.27Å; F590-L607 HydrophobicContact CE2-CD1 3.97Å; F590-L607 HydrophobicContact CZ-CD1 4.27Å; F590-L664 HydrophobicContact CZ-CD2 4.13Å
591E91.3Very high88.7Confident151 Ų15145.6 Ų45.671%0.70625%0.25SC*.G310 helixtrans-65.4-22.4174.6-69.6176.9168.300113.7T587 I589T587-E591 WeakPolarHBondContact O-CG 3.29Å; I589-E591 VanDerWaalsContact C-N 3.29Å; I589-E591 PolarHBondContact O-N 3.19Å
592R92.9Very high88.4Confident32 Ų3247 Ų4712%0.12126%0.26CS..G310 helixtrans-105.61-174.4-72.1167.3-178.568.25.3113.2V588 I589 F590 N656 E659 N661 L662V588-R592 PolarHBondContact O-NH1 2.95Å; I589-R592 PolarHBondContact O-N 3.29Å; F590-R592 PolarHBondContact O-N 3.11Å; R592-N656 PolarHBondContact NE-OD1 2.92Å; R592-N656 PolarHBondContact NH2-OD1 3.42Å; R592-E659 WeakPolarHBondContact CB-O 3.15Å; R592-N661 PolarHBondContact O-N 3.43Å; R592-N661 VanDerWaalsContact O-N 3.13Å; R592-L662 HydrophobicContact CB-CD1 4.04Å; R592-L662 PolarHBondContact O-N 3.1Å
593L92.3Very high88.3Confident28 Ų2847 Ų4715%0.14726%0.26CS..BIsolated β-bridgetrans-68.5142.9177.4-65.2178.7000110.7I589 F590 A621 L662 L664I589-L593 HydrophobicContact CG2-CD2 4.1Å; I589-L593 WeakPolarHBondContact O-CG 3.29Å; I589-L593 PolarHBondContact O-N 3.42Å; F590-L593 HydrophobicContact CD1-CD1 4.07Å; F590-L593 HydrophobicContact CE1-CD1 4.5Å; F590-L593 HydrophobicContact CG-CD1 4.16Å; F590-L593 PolarHBondContact O-N 2.86Å; L593-A621 HydrophobicContact CD2-CB 4.28Å; L593-L662 CarbonylContact C-O 3.59Å; L593-L662 VanDerWaalsContact CA-O 3.26Å; L593-L662 WeakPolarHBondContact CA-O 3.37Å; L593-L662 HydrophobicContact CD2-CB 4.17Å; L593-L662 WeakPolarHBondContact CD2-O 3.25Å; L593-L664 HydrophobicContact CD1-CB 3.99Å; L593-L664 HydrophobicContact CD1-CD2 4.32Å; L593-L664 HydrophobicContact CD2-CB 3.76Å
594A89.5Confident88.1Confident11 Ų1148.6 Ų48.69%0.09127%0.268CS..  trans-63147.3167.100000109.7T596 S597 N661 L662A594-T596 PolarHBondContact O-N 3.23Å; A594-S597 VanDerWaalsContact O-CB 3.25Å; A594-S597 WeakPolarHBondContact O-CB 3.46Å; A594-S597 PolarHBondContact O-N 3.31Å; A594-N661 HydrophobicContact CB-CB 4.14Å; A594-L662 PolarHBondContact N-O 3.04Å
595S83Confident88Confident134 Ų13452.5 Ų52.594%0.93729%0.288SS*.THydrogen-bonded Turntrans-59.2-19.1173.954.70000113.5
596T82.7Confident88.1Confident95 Ų9554 Ų5458%0.58330%0.296SS*.THydrogen-bonded Turntrans-84.9-3.8176.154.90000114.1A594 L598 Q663A594-T596 PolarHBondContact O-N 3.23Å; T596-L598 PolarHBondContact O-N 3.32Å; T596-L598 VanDerWaalsContact O-N 3.16Å; T596-Q663 PolarHBondContact OG1-NE2 2.9Å
597S78.6Confident88.2Confident19 Ų1954 Ų5413%0.13330%0.295CS..  trans-63117-176.2-172.30000111.3A594 L664A594-S597 VanDerWaalsContact O-CB 3.25Å; A594-S597 WeakPolarHBondContact O-CB 3.46Å; A594-S597 PolarHBondContact O-N 3.31Å; S597-L664 WeakPolarHBondContact OG-CB 3.38Å; S597-L664 PolarHBondContact OG-N 2.88Å
598L81.2Confident88.1Confident117 Ų11755.2 Ų55.261%0.61330%0.298SS*.THydrogen-bonded Turntrans-74161.7173.4-60.6171.3000110.1T596 A600T596-L598 PolarHBondContact O-N 3.32Å; T596-L598 VanDerWaalsContact O-N 3.16Å; L598-A600 VanDerWaalsContact C-N 3.28Å; L598-A600 PolarHBondContact O-N 2.8Å; L598-A600 VanDerWaalsContact O-N 3.15Å
599F87.3Confident87.9Confident76 Ų7657.1 Ų57.133%0.33331%0.307SS..THydrogen-bonded Turntrans67.36.6171.2-37.7-65000118.2G431 L460 Q601 S602 T603G431-F599 WeakPolarHBondContact O-CD1 3.33Å; L460-F599 HydrophobicContact CD1-CE2 4.05Å; L460-F599 HydrophobicContact CD1-CZ 4.23Å; F599-Q601 PolarHBondContact O-N 2.63Å; F599-S602 WeakPolarHBondContact CA-OG 3.46Å; F599-S602 PolarHBondContact O-OG 3Å; F599-T603 VanDerWaalsContact O-CB 3.32Å; F599-T603 WeakPolarHBondContact O-CB 3.46Å; F599-T603 PolarHBondContact O-N 2.83Å; F599-T603 PolarHBondContact O-OG1 2.84Å
600A86.2Confident87.7Confident29 Ų2957.1 Ų57.124%0.2431%0.307CS..Hα-helixtrans-57.3-51.3-179.100000112.6F590 L598 T603 M604F590-A600 HydrophobicContact CE1-CB 4.06Å; L598-A600 VanDerWaalsContact C-N 3.28Å; L598-A600 PolarHBondContact O-N 2.8Å; L598-A600 VanDerWaalsContact O-N 3.15Å; A600-T603 PolarHBondContact O-N 3.26Å; A600-M604 PolarHBondContact O-N 3.18Å
601Q86.8Confident87.3Confident133 Ų13355.6 Ų55.662%0.62130%0.303SS*.Hα-helixtrans-64.5-48-178.6-172.462.238.400112.7F599 T603 M604 D605F599-Q601 PolarHBondContact O-N 2.63Å; Q601-T603 VanDerWaalsContact C-N 3.27Å; Q601-T603 PolarHBondContact O-N 2.94Å; Q601-M604 WeakPolarHBondContact O-CB 3.46Å; Q601-M604 PolarHBondContact O-N 3.14Å; Q601-M604 VanDerWaalsContact O-N 3.14Å; Q601-D605 PolarHBondContact NE2-OD1 3.14Å; Q601-D605 PolarHBondContact O-N 2.89Å; Q601-D605 VanDerWaalsContact O-N 3.09Å
602S90.5Very high86.6Confident36 Ų3653 Ų5325%0.25229%0.29SS..Hα-helixtrans-60.4-38.5178.548.90000112G432 F599 H606G432-S602 WeakPolarHBondContact CA-OG 3.38Å; F599-S602 WeakPolarHBondContact CA-OG 3.46Å; F599-S602 PolarHBondContact O-OG 3Å; S602-H606 PolarHBondContact O-CD2 2.89Å; S602-H606 PolarHBondContact O-N 2.85Å; S602-H606 VanDerWaalsContact O-N 3.17Å; S602-H606 PolarHBondContact O-ND1 3Å
603T91.1Very high85.9Confident0 Ų054.2 Ų54.20%030%0.3CS..Hα-helixtrans-71-34178.6-54.90000111.3F599 A600 Q601 H606 L607 L664 A667F599-T603 VanDerWaalsContact O-CB 3.32Å; F599-T603 WeakPolarHBondContact O-CB 3.46Å; F599-T603 PolarHBondContact O-N 2.83Å; F599-T603 PolarHBondContact O-OG1 2.84Å; A600-T603 PolarHBondContact O-N 3.26Å; Q601-T603 VanDerWaalsContact C-N 3.27Å; Q601-T603 PolarHBondContact O-N 2.94Å; T603-H606 WeakPolarHBondContact O-CB 3.27Å; T603-H606 PolarHBondContact O-N 2.8Å; T603-L607 HydrophobicContact CG2-CD1 4.22Å; T603-L607 HydrophobicContact CG2-CG 4.41Å; T603-L607 VanDerWaalsContact O-CG 3.25Å; T603-L607 WeakPolarHBondContact O-CG 3.44Å; T603-L607 PolarHBondContact O-N 3.37Å; T603-L664 HydrophobicContact CG2-CD2 4.1Å; T603-A667 HydrophobicContact CG2-CB 3.84Å
604M89.1Confident85.4Confident43 Ų4353 Ų5321%0.21230%0.295CS..Hα-helixtrans-62.4-46.4174.1-167.664.183.400112.1F590 A600 Q601 H606 L607 E608F590-M604 HydrophobicContact CD1-CE 3.53Å; F590-M604 HydrophobicContact CD2-CE 4.16Å; F590-M604 HydrophobicContact CE1-CB 4.4Å; F590-M604 HydrophobicContact CE1-CE 3.39Å; F590-M604 HydrophobicContact CE1-SD 4.5Å; F590-M604 HydrophobicContact CE2-CE 4.01Å; F590-M604 HydrophobicContact CG-CE 3.91Å; F590-M604 HydrophobicContact CZ-CB 4.35Å; F590-M604 HydrophobicContact CZ-CE 3.63Å; F590-M604 HydrophobicContact CZ-SD 4.27Å; A600-M604 PolarHBondContact O-N 3.18Å; Q601-M604 WeakPolarHBondContact O-CB 3.46Å; Q601-M604 PolarHBondContact O-N 3.14Å; Q601-M604 VanDerWaalsContact O-N 3.14Å; M604-H606 PolarHBondContact O-N 2.98Å; M604-L607 PolarHBondContact O-N 3.38Å; M604-L607 HydrophobicContact SD-CD1 4.49Å; M604-E608 PolarHBondContact O-N 2.85Å
605D89.3Confident85.3Confident83 Ų8352.9 Ų52.944%0.44429%0.292SS..Hα-helixtrans-61-36.4176.9-60.9-16.4000111Q601 N609Q601-D605 PolarHBondContact NE2-OD1 3.14Å; Q601-D605 PolarHBondContact O-N 2.89Å; Q601-D605 VanDerWaalsContact O-N 3.09Å; D605-N609 PolarHBondContact O-N 2.73Å
606H91.4Very high85.6Confident33 Ų3346.7 Ų46.715%0.15325%0.248CC..Hα-helixtrans-68.6-43.2175.6-64.1174.6000112.8S429 G432 M434 S602 T603 M604 E608 N609 F610S429-H606 PolarHBondContact OG-ND1 3.36Å; G432-H606 PolarHBondContact O-CE1 3.41Å; G432-H606 VanDerWaalsContact O-CE1 3.24Å; M434-H606 HydrophobicContact CE-CB 3.6Å; M434-H606 WeakPolarHBondContact CE-CD2 3.34Å; M434-H606 VanDerWaalsContact CE-CG 3.41Å; M434-H606 PolarHBondContact N-CE1 3.26Å; S602-H606 PolarHBondContact O-CD2 2.89Å; S602-H606 PolarHBondContact O-N 2.85Å; S602-H606 VanDerWaalsContact O-N 3.17Å; S602-H606 PolarHBondContact O-ND1 3Å; T603-H606 WeakPolarHBondContact O-CB 3.27Å; T603-H606 PolarHBondContact O-N 2.8Å; M604-H606 PolarHBondContact O-N 2.98Å; H606-E608 VanDerWaalsContact C-N 3.31Å; H606-E608 PolarHBondContact O-N 3Å; H606-N609 WeakPolarHBondContact O-CB 3.36Å; H606-N609 PolarHBondContact O-N 2.98Å; H606-N609 VanDerWaalsContact O-N 3.12Å; H606-F610 HydrophobicContact CB-CE2 4.34Å; H606-F610 HydrophobicContact CB-CZ 4.38Å; H606-F610 WeakPolarHBondContact O-CD2 3.47Å; H606-F610 VanDerWaalsContact O-CG 3.25Å; H606-F610 WeakPolarHBondContact O-CG 3.32Å; H606-F610 PolarHBondContact O-N 3.09Å
607L89.3Confident85.9Confident0 Ų042.2 Ų42.20%022%0.221CC..Hα-helixtrans-60.5-40.8176.1-73.9165.6000111.3D586 F590 T603 M604 N609 F610 A611 T617 A667 H1164D586-L607 HydrophobicContact CB-CD1 3.89Å; F590-L607 HydrophobicContact CE2-CD1 3.97Å; F590-L607 HydrophobicContact CZ-CD1 4.27Å; T603-L607 HydrophobicContact CG2-CD1 4.22Å; T603-L607 HydrophobicContact CG2-CG 4.41Å; T603-L607 VanDerWaalsContact O-CG 3.25Å; T603-L607 WeakPolarHBondContact O-CG 3.44Å; T603-L607 PolarHBondContact O-N 3.37Å; M604-L607 PolarHBondContact O-N 3.38Å; M604-L607 HydrophobicContact SD-CD1 4.49Å; L607-N609 VanDerWaalsContact C-N 3.3Å; L607-N609 PolarHBondContact O-N 2.78Å; L607-F610 PolarHBondContact O-N 2.86Å; L607-A611 WeakPolarHBondContact O-CB 3.46Å; L607-A611 PolarHBondContact O-N 3.23Å; L607-T617 HydrophobicContact CD2-CG2 3.8Å; L607-A667 HydrophobicContact CD2-CB 3.63Å; L607-A667 HydrophobicContact CG-CB 4.15Å; L607-H1164 HydrophobicContact CB-CB 3.93Å
608E85.3Confident86.6Confident76 Ų7641.5 Ų41.536%0.35522%0.216SC..Hα-helixtrans-61.6-38.5174-160.3-165146.200112M604 H606 K612M604-E608 PolarHBondContact O-N 2.85Å; H606-E608 VanDerWaalsContact C-N 3.31Å; H606-E608 PolarHBondContact O-N 3Å; E608-K612 VanDerWaalsContact O-CG 3.26Å; E608-K612 WeakPolarHBondContact O-CG 3.4Å; E608-K612 PolarHBondContact O-N 3.09Å; E608-K612 WeakPolarHBondContact OE1-CE 3.43Å; E608-K612 IonicContact OE1-NZ 2.71Å; E608-K612 PolarHBondContact OE1-NZ 3.46Å
609N86.1Confident87.2Confident58 Ų5836 Ų3631%0.3119%0.187SC..Hα-helixtrans-66.3-43174.7-16819.4000112.1M434 D605 H606 L607 A611 K612 T613M434-N609 HydrophobicContact CE-CB 4.17Å; D605-N609 PolarHBondContact O-N 2.73Å; H606-N609 WeakPolarHBondContact O-CB 3.36Å; H606-N609 PolarHBondContact O-N 2.98Å; H606-N609 VanDerWaalsContact O-N 3.12Å; L607-N609 VanDerWaalsContact C-N 3.3Å; L607-N609 PolarHBondContact O-N 2.78Å; N609-A611 VanDerWaalsContact C-N 3.34Å; N609-A611 PolarHBondContact O-N 3.07Å; N609-K612 WeakPolarHBondContact O-CB 3.44Å; N609-K612 PolarHBondContact O-N 3.11Å; N609-T613 PolarHBondContact O-N 2.84Å; N609-T613 PolarHBondContact O-OG1 3.16Å
610F88.3Confident87.5Confident0 Ų032.5 Ų32.50%017%0.172CC..Hα-helixtrans-62.5-41.6176.8-60.7-23.5000112R427 M434 H606 L607 K612 T613 G614 L615 T617 A669R427-F610 HydrophobicContact CB-CD1 4.21Å; R427-F610 HydrophobicContact CB-CE1 3.61Å; R427-F610 HydrophobicContact CB-CZ 3.92Å; R427-F610 HydrophobicContact CG-CE1 4.29Å; M434-F610 HydrophobicContact CE-CE1 4.11Å; M434-F610 HydrophobicContact CE-CZ 4.45Å; M434-F610 HydrophobicContact CG-CE1 3.81Å; M434-F610 HydrophobicContact CG-CZ 3.87Å; M434-F610 HydrophobicContact SD-CE1 3.72Å; M434-F610 HydrophobicContact SD-CZ 4.31Å; H606-F610 HydrophobicContact CB-CE2 4.34Å; H606-F610 HydrophobicContact CB-CZ 4.38Å; H606-F610 WeakPolarHBondContact O-CD2 3.47Å; H606-F610 VanDerWaalsContact O-CG 3.25Å; H606-F610 WeakPolarHBondContact O-CG 3.32Å; H606-F610 PolarHBondContact O-N 3.09Å; L607-F610 PolarHBondContact O-N 2.86Å; F610-K612 PolarHBondContact O-N 2.83Å; F610-T613 PolarHBondContact O-N 3.47Å; F610-T613 PolarHBondContact O-OG1 3.01Å; F610-G614 PolarHBondContact O-N 3.22Å; F610-L615 HydrophobicContact CB-CB 4.31Å; F610-L615 HydrophobicContact CB-CD1 4.42Å; F610-L615 HydrophobicContact CD1-CD1 4.34Å; F610-L615 PolarHBondContact O-N 3.24Å; F610-T617 HydrophobicContact CB-CG2 3.55Å; F610-T617 HydrophobicContact CD2-CG2 4.06Å; F610-T617 HydrophobicContact CG-CG2 4.32Å; F610-A669 HydrophobicContact CB-CB 4.21Å; F610-A669 HydrophobicContact CD1-CB 4.25Å; F610-A669 HydrophobicContact CD2-CB 3.72Å; F610-A669 HydrophobicContact CE2-CB 4.07Å; F610-A669 HydrophobicContact CG-CB 3.81Å; F610-A669 HydrophobicContact CZ-CB 4.49Å
611A82Confident87.9Confident14 Ų1431.1 Ų31.112%0.11616%0.16CC..Hα-helixtrans-61.2-42174.800000112.2L607 N609 T613 G614 H1164L607-A611 WeakPolarHBondContact O-CB 3.46Å; L607-A611 PolarHBondContact O-N 3.23Å; N609-A611 VanDerWaalsContact C-N 3.34Å; N609-A611 PolarHBondContact O-N 3.07Å; A611-T613 PolarHBondContact O-N 2.86Å; A611-G614 PolarHBondContact O-N 2.94Å; A611-H1164 VanDerWaalsContact CB-C 3.41Å
612K76.2Confident88.3Confident97 Ų9727.4 Ų27.442%0.42214%0.141SC..Hα-helixtrans-60.4-30.5176.6-75.8168.2-177.3161.20112.9E608 N609 F610E608-K612 VanDerWaalsContact O-CG 3.26Å; E608-K612 WeakPolarHBondContact O-CG 3.4Å; E608-K612 PolarHBondContact O-N 3.09Å; E608-K612 WeakPolarHBondContact OE1-CE 3.43Å; E608-K612 IonicContact OE1-NZ 2.71Å; E608-K612 PolarHBondContact OE1-NZ 3.46Å; N609-K612 WeakPolarHBondContact O-CB 3.44Å; N609-K612 PolarHBondContact O-N 3.11Å; F610-K612 PolarHBondContact O-N 2.83Å
613T78.7Confident88.4Confident56 Ų5626.9 Ų26.934%0.34414%0.136SC..THydrogen-bonded Turntrans-85.6-4.9175.149.30000114.1N609 F610 A611 L615N609-T613 PolarHBondContact O-N 2.84Å; N609-T613 PolarHBondContact O-OG1 3.16Å; F610-T613 PolarHBondContact O-N 3.47Å; F610-T613 PolarHBondContact O-OG1 3.01Å; A611-T613 PolarHBondContact O-N 2.86Å; T613-L615 WeakPolarHBondContact OG1-CD1 3.46Å; T613-L615 WeakPolarHBondContact OG1-CG 3.4Å
614G81.6Confident88.5Confident3 Ų331.6 Ų31.63%0.03116%0.158CC..THydrogen-bonded Turntrans77.322.5-177.900000114.3F610 A611 S709F610-G614 PolarHBondContact O-N 3.22Å; A611-G614 PolarHBondContact O-N 2.94Å; G614-S709 WeakPolarHBondContact CA-OG 3.42Å; G614-S709 PolarHBondContact O-OG 3.34Å
615L87.2Confident88.6Confident8 Ų830.1 Ų30.14%0.04215%0.151CC..  trans-83.1141.7176.3-59.8173.4000110.5K426 R427 F610 T613 A669 E671K426-L615 HydrophobicContact CB-CD2 4.15Å; K426-L615 HydrophobicContact CG-CD2 4.29Å; R427-L615 HydrophobicContact CB-CD1 4.46Å; R427-L615 HydrophobicContact CG-CD1 4.25Å; F610-L615 HydrophobicContact CB-CB 4.31Å; F610-L615 HydrophobicContact CB-CD1 4.42Å; F610-L615 HydrophobicContact CD1-CD1 4.34Å; F610-L615 PolarHBondContact O-N 3.24Å; T613-L615 WeakPolarHBondContact OG1-CD1 3.46Å; T613-L615 WeakPolarHBondContact OG1-CG 3.4Å; L615-A669 HydrophobicContact CB-CB 4.01Å; L615-A669 HydrophobicContact CD1-CB 3.86Å; L615-E671 HydrophobicContact CD2-CB 3.62Å; L615-E671 HydrophobicContact CD2-CG 3.94Å
616R87.8Confident88.7Confident4 Ų431 Ų312%0.01516%0.156CC..EExtended strand (participates in β ladder)trans-76.4121.2174.5-53.7-173.6179-165.2-1.7109.7M423 D518 A669 I670 D672 G1165 A1167 S1169M423-R616 VanDerWaalsContact CE-CZ 3.46Å; M423-R616 VanDerWaalsContact CE-NH2 3.26Å; D518-R616 IonicContact OD1-NH1 3.96Å; D518-R616 PolarHBondContact OD1-NH1 2.87Å; D518-R616 IonicContact OD2-NH1 3.96Å; D518-R616 PolarHBondContact OD2-NH1 3.09Å; R616-A669 CarbonylContact O-C 3.55Å; R616-A669 WeakPolarHBondContact O-CA 3.49Å; R616-I670 HydrophobicContact CB-CB 4.41Å; R616-I670 WeakPolarHBondContact CB-O 3.48Å; R616-I670 PolarHBondContact N-O 3.13Å; R616-I670 PolarHBondContact O-N 3.01Å; R616-D672 IonicContact CZ-OD2 2.79Å; R616-D672 IonicContact NH2-OD2 3.57Å; R616-D672 PolarHBondContact NH2-OD2 3.07Å; R616-G1165 WeakPolarHBondContact CA-O 3.45Å; R616-A1167 HydrophobicContact CB-CB 4.12Å; R616-A1167 HydrophobicContact CG-CB 3.9Å; R616-S1169 PolarHBondContact NH1-OG 3.13Å
617T90.6Very high88.7Confident1 Ų132.8 Ų32.81%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-104.8144.5-175.1600000112.7L607 F610 T668 H1164 G1165 Y1166L607-T617 HydrophobicContact CD2-CG2 3.8Å; F610-T617 HydrophobicContact CB-CG2 3.55Å; F610-T617 HydrophobicContact CD2-CG2 4.06Å; F610-T617 HydrophobicContact CG-CG2 4.32Å; T617-T668 VanDerWaalsContact CA-O 3.29Å; T617-T668 WeakPolarHBondContact CA-O 3.3Å; T617-H1164 PolarHBondContact OG1-O 3.43Å; T617-G1165 PolarHBondContact N-O 3.2Å; T617-G1165 VanDerWaalsContact N-O 3.07Å; T617-G1165 VanDerWaalsContact OG1-C 3.23Å; T617-G1165 PolarHBondContact OG1-O 3.5Å; T617-Y1166 WeakPolarHBondContact O-CD2 3.4Å; T617-Y1166 PolarHBondContact OG1-N 3.19Å
618L92.1Very high88.8Confident5 Ų536 Ų363%0.02620%0.198CC..EExtended strand (participates in β ladder)trans-136.1136168.3-59.6169.1000109.7L522 A667 T668 Y1166 F1168L522-L618 HydrophobicContact CD1-CD1 4.04Å; L618-A667 CarbonylContact O-C 3.39Å; L618-A667 WeakPolarHBondContact O-CA 3.34Å; L618-A667 WeakPolarHBondContact O-CB 3.36Å; L618-T668 WeakPolarHBondContact CB-OG1 3.4Å; L618-T668 PolarHBondContact N-O 3.29Å; L618-T668 PolarHBondContact O-N 2.8Å; L618-T668 PolarHBondContact O-OG1 3.26Å; L618-Y1166 HydrophobicContact CD2-CD2 3.99Å; L618-Y1166 HydrophobicContact CD2-CE2 3.54Å; L618-F1168 HydrophobicContact CD1-CD2 3.75Å; L618-F1168 HydrophobicContact CD1-CE2 3.93Å; L618-F1168 HydrophobicContact CD2-CB 4.08Å; L618-F1168 HydrophobicContact CD2-CD2 3.83Å; L618-F1168 HydrophobicContact CD2-CG 4.19Å; L618-F1168 HydrophobicContact CG-CD2 4.37Å
619C93.8Very high89.2Confident1 Ų136 Ų361%0.00720%0.196CC..EExtended strand (participates in β ladder)trans-89140.5171.7-67.30000110.3K583 G584 I589 L664K583-C619 VanDerWaalsContact CA-O 3.32Å; K583-C619 WeakPolarHBondContact CA-O 3.37Å; G584-C619 PolarHBondContact N-O 3.35Å; G584-C619 PolarHBondContact O-N 3.13Å; I589-C619 HydrophobicContact CB-CB 4.08Å; I589-C619 HydrophobicContact CG1-CB 4.16Å; I589-C619 HydrophobicContact CG2-CB 4.05Å; C619-L664 HydrophobicContact CB-CD1 4.22Å
620I94.6Very high89.5Confident2 Ų234 Ų341%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-116124.3176.7-55.2-166.3000109.2F464 I467 L468 L665 G666 T668F464-I620 HydrophobicContact CD2-CB 4.41Å; F464-I620 HydrophobicContact CD2-CD1 4.29Å; F464-I620 HydrophobicContact CE2-CB 4.16Å; F464-I620 HydrophobicContact CE2-CD1 3.78Å; F464-I620 HydrophobicContact CE2-CG1 4.13Å; F464-I620 HydrophobicContact CZ-CD1 4.02Å; I467-I620 HydrophobicContact CB-CG2 4.12Å; I467-I620 HydrophobicContact CD1-CG2 3.99Å; I467-I620 HydrophobicContact CG2-CG2 3.55Å; L468-I620 HydrophobicContact CD2-CD1 3.29Å; L468-I620 HydrophobicContact CG-CD1 3.88Å; I620-L665 PolarHBondContact O-N 3.36Å; I620-G666 PolarHBondContact N-O 3.46Å; I620-G666 PolarHBondContact O-N 3.45Å; I620-T668 HydrophobicContact CD1-CG2 3.79Å; I620-T668 HydrophobicContact CG1-CG2 4.39Å
621A94.5Very high89.7Confident0 Ų039.2 Ų39.20%021%0.212CC..EExtended strand (participates in β ladder)trans-137.8158.4179.100000110.8V582 I589 L593 L662 Q663V582-A621 PolarHBondContact N-O 2.88Å; V582-A621 PolarHBondContact O-N 3.47Å; I589-A621 HydrophobicContact CG2-CB 3.89Å; L593-A621 HydrophobicContact CD2-CB 4.28Å; A621-L662 HydrophobicContact CB-CB 3.91Å; A621-L662 HydrophobicContact CB-CD1 4.33Å; A621-Q663 CarbonylContact C-O 3.6Å; A621-Q663 WeakPolarHBondContact CA-O 3.49Å; A621-Q663 WeakPolarHBondContact CB-O 3.46Å
622W94.5Very high90.3Very high56 Ų5645 Ų4521%0.21224%0.235CC..EExtended strand (participates in β ladder)trans-146.6164.4178.574.4-69.9000111.5I467 V580 E624 Q663 L665I467-W622 HydrophobicContact CD1-CB 3.9Å; I467-W622 HydrophobicContact CD1-CG 4.33Å; V580-W622 CarbonylContact O-C 3.56Å; V580-W622 WeakPolarHBondContact O-CA 3.39Å; W622-E624 HydrophobicContact CZ3-CB 4.19Å; W622-Q663 PolarHBondContact N-O 3.33Å; W622-Q663 PolarHBondContact O-N 2.61Å; W622-L665 VanDerWaalsContact CD1-CG 3.47Å; W622-L665 HydrophobicContact CG-CD1 4.21Å
623T93.4Very high91.1Very high24 Ų2440.5 Ų40.515%0.14722%0.215CC..EExtended strand (participates in β ladder)trans-150.4153.4169.4-167.40000111S579 V580 V625 N661 L662S579-T623 CarbonylContact C-O 3.32Å; S579-T623 WeakPolarHBondContact CA-O 3.46Å; V580-T623 HydrophobicContact CB-CG2 3.98Å; V580-T623 HydrophobicContact CG2-CG2 4.42Å; V580-T623 PolarHBondContact N-O 2.55Å; V580-T623 PolarHBondContact O-N 2.88Å; T623-V625 HydrophobicContact CG2-CG2 4.3Å; T623-N661 PolarHBondContact OG1-O 3.14Å; T623-L662 HydrophobicContact CG2-CD2 3.79Å
624E92.2Very high91.8Very high99 Ų9939.9 Ų39.946%0.46321%0.211SC..EExtended strand (participates in β ladder)trans-91.6131.8172.6-172171.1167.500108.9R577 W622R577-E624 WeakPolarHBondContact CD-OE1 3.46Å; R577-E624 IonicContact NE-OE1 3.31Å; R577-E624 IonicContact NH1-OE1 3.9Å; R577-E624 IonicContact NH1-OE2 3.36Å; R577-E624 PolarHBondContact NH1-OE2 3.44Å; W622-E624 HydrophobicContact CZ3-CB 4.19Å
625V91.9Very high92.4Very high13 Ų1342.6 Ų42.68%0.07923%0.234CC..EExtended strand (participates in β ladder)trans-110.5129.6-176.2179.40000110.5I578 V580 T623 F629 I658I578-V625 HydrophobicContact CG2-CB 4.26Å; I578-V625 PolarHBondContact O-N 3.24Å; V580-V625 HydrophobicContact CB-CG2 4.41Å; V580-V625 HydrophobicContact CG2-CG2 3.35Å; T623-V625 HydrophobicContact CG2-CG2 4.3Å; V625-F629 HydrophobicContact CG1-CD1 3.64Å; V625-F629 HydrophobicContact CG1-CE1 4.38Å; V625-I658 HydrophobicContact CG2-CG1 4.29Å
626D92.2Very high92.7Very high101 Ų10145.1 Ų45.154%0.5425%0.247SC..  trans-63.1131.4173.8178.771.1000111.2A628 F629 Y630D626-A628 PolarHBondContact O-N 3.22Å; D626-A628 VanDerWaalsContact O-N 3.17Å; D626-A628 WeakPolarHBondContact OD2-CA 3.44Å; D626-A628 WeakPolarHBondContact OD2-CB 3.27Å; D626-A628 PolarHBondContact OD2-N 3.44Å; D626-F629 HydrophobicContact CB-CB 4.33Å; D626-F629 PolarHBondContact O-N 2.78Å; D626-F629 VanDerWaalsContact O-N 3.12Å; D626-F629 PolarHBondContact OD2-N 3.38Å; D626-Y630 PolarHBondContact O-N 3.03Å
627P90.5Very high92.9Very high70 Ų7046.6 Ų46.646%0.45525%0.254SS..Hα-helixtrans-56.6-31.7-179-28.435.8000114.9N631P627-N631 VanDerWaalsContact O-CG 3.31Å; P627-N631 PolarHBondContact O-N 2.62Å; P627-N631 VanDerWaalsContact O-N 3.11Å; P627-N631 PolarHBondContact O-ND2 3.37Å; P627-N631 VanDerWaalsContact O-ND2 3.13Å
628A92.3Very high93Very high69 Ų6954.2 Ų54.257%0.5728%0.283SS*.Hα-helixtrans-72.7-39.8178.700000111.4D626 K632D626-A628 PolarHBondContact O-N 3.22Å; D626-A628 VanDerWaalsContact O-N 3.17Å; D626-A628 WeakPolarHBondContact OD2-CA 3.44Å; D626-A628 WeakPolarHBondContact OD2-CB 3.27Å; D626-A628 PolarHBondContact OD2-N 3.44Å; A628-K632 PolarHBondContact O-N 3.23Å
629F92.9Very high93Very high75 Ų7561.4 Ų61.433%0.32932%0.315SS..Hα-helixtrans-61.9-45.5171.8177.6-93.6000111.3V625 D626 N631 K632 W633 E657 I658V625-F629 HydrophobicContact CG1-CD1 3.64Å; V625-F629 HydrophobicContact CG1-CE1 4.38Å; D626-F629 HydrophobicContact CB-CB 4.33Å; D626-F629 PolarHBondContact O-N 2.78Å; D626-F629 VanDerWaalsContact O-N 3.12Å; D626-F629 PolarHBondContact OD2-N 3.38Å; F629-N631 PolarHBondContact O-N 2.74Å; F629-K632 WeakPolarHBondContact O-CB 3.31Å; F629-K632 PolarHBondContact O-N 3Å; F629-W633 HydrophobicContact CE1-CB 4.44Å; F629-W633 PolarHBondContact O-N 2.76Å; F629-E657 HydrophobicContact CZ-CG 4.14Å; F629-I658 HydrophobicContact CE1-CB 4.49Å; F629-I658 HydrophobicContact CE1-CG1 4.35Å
630Y92.5Very high92.9Very high17 Ų1761.7 Ų61.77%0.06732%0.317CS..Hα-helixtrans-57.5-46.1178.6174.1-99.8000112.3L555 H556 V570 I578 D626 K632 W633 V634 I658L555-Y630 HydrophobicContact CB-CE2 4.44Å; L555-Y630 WeakPolarHBondContact CB-OH 3.49Å; L555-Y630 HydrophobicContact CD1-CE1 4.14Å; L555-Y630 HydrophobicContact CD1-CE2 4.13Å; H556-Y630 AromaticContact CD2-CZ 3.99Å; H556-Y630 PolarHBondContact CD2-OH 3.47Å; H556-Y630 PolarHBondContact NE2-OH 2.58Å; V570-Y630 HydrophobicContact CG1-CD2 4.08Å; V570-Y630 HydrophobicContact CG1-CE2 3.76Å; I578-Y630 HydrophobicContact CD1-CD1 3.7Å; I578-Y630 HydrophobicContact CD1-CE1 4.3Å; I578-Y630 HydrophobicContact CD1-CG 3.87Å; I578-Y630 HydrophobicContact CG2-CD2 4.22Å; I578-Y630 HydrophobicContact CG2-CG 4.42Å; D626-Y630 PolarHBondContact O-N 3.03Å; Y630-K632 VanDerWaalsContact C-N 3.29Å; Y630-K632 PolarHBondContact O-N 3.13Å; Y630-W633 HydrophobicContact CD2-CE3 4.5Å; Y630-W633 HydrophobicContact CE2-CE3 4.34Å; Y630-W633 WeakPolarHBondContact O-CB 3.23Å; Y630-W633 PolarHBondContact O-N 3.34Å; Y630-W633 VanDerWaalsContact O-N 3.12Å; Y630-V634 HydrophobicContact CD1-CG2 4.07Å; Y630-V634 HydrophobicContact CD2-CG2 4.25Å; Y630-V634 HydrophobicContact CE1-CG2 3.52Å; Y630-V634 HydrophobicContact CE2-CG2 3.71Å; Y630-V634 HydrophobicContact CG-CG2 4.4Å; Y630-V634 WeakPolarHBondContact O-CG2 3.47Å; Y630-V634 PolarHBondContact O-N 3.45Å; Y630-V634 WeakPolarHBondContact OH-CG2 3.38Å; Y630-I658 HydrophobicContact CD2-CD1 4.47Å
631N93Very high92.6Very high109 Ų10963.7 Ų63.758%0.58333%0.331SS*.Hα-helixtrans-61.3-37.1178.8-71.6-32.6000112.8P627 F629 A635P627-N631 VanDerWaalsContact O-CG 3.31Å; P627-N631 PolarHBondContact O-N 2.62Å; P627-N631 VanDerWaalsContact O-N 3.11Å; P627-N631 PolarHBondContact O-ND2 3.37Å; P627-N631 VanDerWaalsContact O-ND2 3.13Å; F629-N631 PolarHBondContact O-N 2.74Å; N631-A635 PolarHBondContact O-N 2.91Å
632K93.3Very high92.4Very high136 Ų13667.4 Ų67.459%0.59135%0.354SS*.Hα-helixtrans-67.2-43.7173.9-174-176178.1-170.50111.3A628 F629 Y630 V634 A635 N636A628-K632 PolarHBondContact O-N 3.23Å; F629-K632 WeakPolarHBondContact O-CB 3.31Å; F629-K632 PolarHBondContact O-N 3Å; Y630-K632 VanDerWaalsContact C-N 3.29Å; Y630-K632 PolarHBondContact O-N 3.13Å; K632-V634 PolarHBondContact O-N 3.37Å; K632-A635 PolarHBondContact O-N 2.99Å; K632-N636 PolarHBondContact O-N 3.27Å
633W94.5Very high92.2Very high1 Ų165.5 Ų65.50%0.00435%0.35CS..Hα-helixtrans-61.7-41.6177.8-177.987.3000112H556 L558 F629 Y630 A635 N636 F637 V654 I658H556-W633 HydrophobicContact CB-CH2 4.15Å; H556-W633 HydrophobicContact CB-CZ3 4.1Å; H556-W633 AromaticContact CD2-CZ3 3.71Å; H556-W633 AromaticContact CG-CZ3 3.8Å; L558-W633 HydrophobicContact CD2-CH2 3.91Å; L558-W633 HydrophobicContact CD2-CZ2 3.91Å; F629-W633 HydrophobicContact CE1-CB 4.44Å; F629-W633 PolarHBondContact O-N 2.76Å; Y630-W633 HydrophobicContact CD2-CE3 4.5Å; Y630-W633 HydrophobicContact CE2-CE3 4.34Å; Y630-W633 WeakPolarHBondContact O-CB 3.23Å; Y630-W633 PolarHBondContact O-N 3.34Å; Y630-W633 VanDerWaalsContact O-N 3.12Å; W633-A635 VanDerWaalsContact C-N 3.32Å; W633-A635 PolarHBondContact O-N 3.16Å; W633-N636 WeakPolarHBondContact O-CB 3.48Å; W633-N636 PolarHBondContact O-N 2.97Å; W633-N636 VanDerWaalsContact O-N 3.12Å; W633-F637 HydrophobicContact CD2-CB 4.43Å; W633-F637 HydrophobicContact CE3-CB 4.21Å; W633-F637 HydrophobicContact CH2-CB 4.01Å; W633-F637 HydrophobicContact CH2-CD1 4.44Å; W633-F637 AromaticContact CH2-CD2 3.4Å; W633-F637 HydrophobicContact CH2-CD2 3.4Å; W633-F637 AromaticContact CH2-CE2 3.93Å; W633-F637 HydrophobicContact CH2-CE2 3.93Å; W633-F637 AromaticContact CH2-CG 3.68Å; W633-F637 HydrophobicContact CH2-CG 3.68Å; W633-F637 HydrophobicContact CZ2-CB 4.24Å; W633-F637 AromaticContact CZ2-CD2 3.52Å; W633-F637 HydrophobicContact CZ2-CD2 3.52Å; W633-F637 HydrophobicContact CZ2-CE2 4.2Å; W633-F637 HydrophobicContact CZ2-CG 4.11Å; W633-F637 HydrophobicContact CZ3-CB 3.99Å; W633-F637 HydrophobicContact CZ3-CD2 4.2Å; W633-F637 HydrophobicContact CZ3-CG 4.02Å; W633-F637 WeakPolarHBondContact O-CB 3.34Å; W633-F637 PolarHBondContact O-N 3.44Å; W633-V654 HydrophobicContact CD2-CG1 4.37Å; W633-V654 HydrophobicContact CG-CG1 4.47Å; W633-V654 HydrophobicContact CZ2-CG1 4.02Å; W633-V654 VanDerWaalsContact NE1-CG1 3.26Å; W633-V654 PolarHBondContact NE1-O 3.09Å; W633-I658 HydrophobicContact CD2-CB 4.31Å; W633-I658 HydrophobicContact CD2-CD1 3.75Å; W633-I658 HydrophobicContact CD2-CG2 4.46Å; W633-I658 HydrophobicContact CE3-CD1 4Å; W633-I658 HydrophobicContact CG-CB 4.3Å; W633-I658 HydrophobicContact CG-CD1 4.09Å; W633-I658 HydrophobicContact CZ2-CB 4.39Å; W633-I658 HydrophobicContact CZ2-CD1 4.42Å; W633-I658 HydrophobicContact CZ2-CG2 3.67Å; W633-I658 HydrophobicContact CZ3-CD1 4.45Å
634V93.7Very high92Very high43 Ų4372.4 Ų72.426%0.26139%0.385SS..Hα-helixtrans-58.2-42.1176.3170.20000111.8Y630 K632 N636 F637 Y638Y630-V634 HydrophobicContact CD1-CG2 4.07Å; Y630-V634 HydrophobicContact CD2-CG2 4.25Å; Y630-V634 HydrophobicContact CE1-CG2 3.52Å; Y630-V634 HydrophobicContact CE2-CG2 3.71Å; Y630-V634 HydrophobicContact CG-CG2 4.4Å; Y630-V634 WeakPolarHBondContact O-CG2 3.47Å; Y630-V634 PolarHBondContact O-N 3.45Å; Y630-V634 WeakPolarHBondContact OH-CG2 3.38Å; K632-V634 PolarHBondContact O-N 3.37Å; V634-N636 VanDerWaalsContact C-N 3.35Å; V634-N636 PolarHBondContact O-N 3.5Å; V634-F637 PolarHBondContact O-N 3.41Å; V634-Y638 WeakPolarHBondContact O-CB 3.27Å; V634-Y638 PolarHBondContact O-N 3.33Å
635A93.4Very high91.9Very high61 Ų6173.3 Ų73.350%0.50439%0.393SS..Hα-helixtrans-63.7-4117700000111.9N631 K632 W633 K639N631-A635 PolarHBondContact O-N 2.91Å; K632-A635 PolarHBondContact O-N 2.99Å; W633-A635 VanDerWaalsContact C-N 3.32Å; W633-A635 PolarHBondContact O-N 3.16Å; A635-K639 WeakPolarHBondContact O-CB 3.13Å; A635-K639 PolarHBondContact O-N 3.32Å; A635-K639 VanDerWaalsContact O-N 3.11Å
636N93.7Very high91.6Very high60 Ų6078.4 Ų78.432%0.32142%0.42SS..Hα-helixtrans-66.6-42.6175.2-71.1-15.1000111.8K632 W633 V634 K639 A640 V654K632-N636 PolarHBondContact O-N 3.27Å; W633-N636 WeakPolarHBondContact O-CB 3.48Å; W633-N636 PolarHBondContact O-N 2.97Å; W633-N636 VanDerWaalsContact O-N 3.12Å; V634-N636 VanDerWaalsContact C-N 3.35Å; V634-N636 PolarHBondContact O-N 3.5Å; N636-K639 PolarHBondContact O-N 3.21Å; N636-A640 WeakPolarHBondContact O-CB 3.18Å; N636-A640 PolarHBondContact O-N 3.26Å; N636-V654 HydrophobicContact CB-CG1 4.3Å; N636-V654 HydrophobicContact CB-CG2 4.25Å
637F92.4Very high91.3Very high35 Ų3579.9 Ų79.915%0.15442%0.418CS..Hα-helixtrans-64.4-43.4178.9-172.9-92.4000111.4H556 L558 W633 V634 K639 A640 S641 L651 V654H556-F637 AromaticContact CE1-CD1 3.97Å; H556-F637 AromaticContact ND1-CD1 3.82Å; H556-F637 AromaticContact ND1-CE1 3.72Å; L558-F637 HydrophobicContact CD2-CE2 3.95Å; W633-F637 HydrophobicContact CD2-CB 4.43Å; W633-F637 HydrophobicContact CE3-CB 4.21Å; W633-F637 HydrophobicContact CH2-CB 4.01Å; W633-F637 HydrophobicContact CH2-CD1 4.44Å; W633-F637 AromaticContact CH2-CD2 3.4Å; W633-F637 HydrophobicContact CH2-CD2 3.4Å; W633-F637 AromaticContact CH2-CE2 3.93Å; W633-F637 HydrophobicContact CH2-CE2 3.93Å; W633-F637 AromaticContact CH2-CG 3.68Å; W633-F637 HydrophobicContact CH2-CG 3.68Å; W633-F637 HydrophobicContact CZ2-CB 4.24Å; W633-F637 AromaticContact CZ2-CD2 3.52Å; W633-F637 HydrophobicContact CZ2-CD2 3.52Å; W633-F637 HydrophobicContact CZ2-CE2 4.2Å; W633-F637 HydrophobicContact CZ2-CG 4.11Å; W633-F637 HydrophobicContact CZ3-CB 3.99Å; W633-F637 HydrophobicContact CZ3-CD2 4.2Å; W633-F637 HydrophobicContact CZ3-CG 4.02Å; W633-F637 WeakPolarHBondContact O-CB 3.34Å; W633-F637 PolarHBondContact O-N 3.44Å; V634-F637 PolarHBondContact O-N 3.41Å; F637-K639 PolarHBondContact O-N 3.07Å; F637-A640 PolarHBondContact O-N 2.97Å; F637-S641 WeakPolarHBondContact O-CB 3.5Å; F637-S641 PolarHBondContact O-N 3.23Å; F637-S641 PolarHBondContact O-OG 2.73Å; F637-L651 HydrophobicContact CD2-CD2 4.13Å; F637-L651 HydrophobicContact CE2-CD2 3.72Å; F637-L651 HydrophobicContact CZ-CD2 3.94Å; F637-V654 HydrophobicContact CB-CG1 3.92Å; F637-V654 HydrophobicContact CD2-CG1 4.05Å
638Y92.4Very high91Very high161 Ų16183.4 Ų83.463%0.63143%0.428SS*.Hα-helixtrans-58.9-48.7174.2-176.7-101.9000111V634 A640 S641 T642V634-Y638 WeakPolarHBondContact O-CB 3.27Å; V634-Y638 PolarHBondContact O-N 3.33Å; Y638-A640 VanDerWaalsContact C-N 3.29Å; Y638-A640 PolarHBondContact O-N 3.03Å; Y638-S641 WeakPolarHBondContact CA-OG 3.37Å; Y638-S641 PolarHBondContact O-N 2.98Å; Y638-S641 VanDerWaalsContact O-N 3.12Å; Y638-S641 PolarHBondContact O-OG 3.21Å; Y638-T642 HydrophobicContact CD1-CG2 4.47Å; Y638-T642 HydrophobicContact CE1-CG2 4.06Å; Y638-T642 HydrophobicContact CE2-CG2 4.1Å; Y638-T642 PolarHBondContact O-N 3.41Å; Y638-T642 PolarHBondContact O-OG1 3.41Å; Y638-T642 VanDerWaalsContact O-OG1 3.12Å
639K92.2Very high90.8Very high157 Ų15782.8 Ų82.868%0.68342%0.424SS*.Hα-helixtrans-58.1-39.2176.2-174.6-179.6179.9-178.40112.6A635 N636 F637 T642 A643A635-K639 WeakPolarHBondContact O-CB 3.13Å; A635-K639 PolarHBondContact O-N 3.32Å; A635-K639 VanDerWaalsContact O-N 3.11Å; N636-K639 PolarHBondContact O-N 3.21Å; F637-K639 PolarHBondContact O-N 3.07Å; K639-T642 PolarHBondContact O-OG1 2.93Å; K639-A643 PolarHBondContact O-N 2.84Å
640A91.4Very high90.7Very high6 Ų683.3 Ų83.35%0.0543%0.426CS..Hα-helixtrans-68.7-42.3175.600000111.8N636 F637 Y638 T642 A643 R647 K650 L651 V654N636-A640 WeakPolarHBondContact O-CB 3.18Å; N636-A640 PolarHBondContact O-N 3.26Å; F637-A640 PolarHBondContact O-N 2.97Å; Y638-A640 VanDerWaalsContact C-N 3.29Å; Y638-A640 PolarHBondContact O-N 3.03Å; A640-T642 VanDerWaalsContact C-N 3.34Å; A640-T642 PolarHBondContact O-N 3.19Å; A640-A643 VanDerWaalsContact O-CB 3.29Å; A640-A643 WeakPolarHBondContact O-CB 3.31Å; A640-A643 PolarHBondContact O-N 3.46Å; A640-R647 WeakPolarHBondContact O-CG 3.42Å; A640-K650 HydrophobicContact CB-CB 3.95Å; A640-L651 HydrophobicContact CB-CD2 3.91Å; A640-L651 HydrophobicContact CB-CG 4.26Å; A640-V654 HydrophobicContact CB-CG2 4.11Å
641S87.6Confident90.5Very high44 Ų4484.5 Ų84.531%0.30843%0.433SS..Hα-helixtrans-65.6-33.4-179.473.80000113.6F637 Y638 A643 R647F637-S641 WeakPolarHBondContact O-CB 3.5Å; F637-S641 PolarHBondContact O-N 3.23Å; F637-S641 PolarHBondContact O-OG 2.73Å; Y638-S641 WeakPolarHBondContact CA-OG 3.37Å; Y638-S641 PolarHBondContact O-N 2.98Å; Y638-S641 VanDerWaalsContact O-N 3.12Å; Y638-S641 PolarHBondContact O-OG 3.21Å; S641-A643 VanDerWaalsContact C-N 3.34Å; S641-R647 WeakPolarHBondContact O-CD 3.4Å
642T91.2Very high90.3Very high78 Ų7881 Ų8148%0.47941%0.413SS..THydrogen-bonded Turntrans-86.9-1.4177.857.50000113.4Y638 K639 A640 L644Y638-T642 HydrophobicContact CD1-CG2 4.47Å; Y638-T642 HydrophobicContact CE1-CG2 4.06Å; Y638-T642 HydrophobicContact CE2-CG2 4.1Å; Y638-T642 PolarHBondContact O-N 3.41Å; Y638-T642 PolarHBondContact O-OG1 3.41Å; Y638-T642 VanDerWaalsContact O-OG1 3.12Å; K639-T642 PolarHBondContact O-OG1 2.93Å; A640-T642 VanDerWaalsContact C-N 3.34Å; A640-T642 PolarHBondContact O-N 3.19Å; T642-L644 PolarHBondContact O-N 2.88Å
643A90.5Very high90.2Very high16 Ų1680.7 Ų80.713%0.13242%0.417CS..  trans-69.9128.9179.900000110.7K639 A640 S641 R647 K650K639-A643 PolarHBondContact O-N 2.84Å; A640-A643 VanDerWaalsContact O-CB 3.29Å; A640-A643 WeakPolarHBondContact O-CB 3.31Å; A640-A643 PolarHBondContact O-N 3.46Å; S641-A643 VanDerWaalsContact C-N 3.34Å; A643-R647 WeakPolarHBondContact O-CB 3.44Å; A643-R647 WeakPolarHBondContact O-CG 3.41Å; A643-K650 HydrophobicContact CB-CD 3.81Å
644L88Confident90.1Very high169 Ų16981.4 Ų81.489%0.88542%0.422SS*.SBendtrans-75.6-36.8173.9-65.9170.4000112T642T642-L644 PolarHBondContact O-N 2.88Å
645N89.7Confident90Very high119 Ų11979.6 Ų79.664%0.63641%0.411SS*.SBendtrans-103.8136.2-178.6-59.8-9.4000110.7R647 K650N645-R647 PolarHBondContact O-N 3.14Å; N645-K650 PolarHBondContact O-NZ 3.18Å
646D85.8Confident89.9Confident120 Ų12078.9 Ų78.964%0.64240%0.399SS*.SBendtrans51.237177.1-51.7-42.7000113.7E648 A649 K650D646-E648 VanDerWaalsContact C-N 3.3Å; D646-E648 PolarHBondContact O-N 2.95Å; D646-A649 HydrophobicContact CB-CB 4.42Å; D646-A649 PolarHBondContact O-N 3.36Å; D646-K650 WeakPolarHBondContact O-CB 3.48Å; D646-K650 WeakPolarHBondContact O-CG 3.28Å; D646-K650 PolarHBondContact O-N 3.15Å
647R86.9Confident89.9Confident132 Ų13279.5 Ų79.550%0.49840%0.4SS..Hα-helixtrans-54.1-47.2-176.7-169-179.464167.5-1.5111.6A640 S641 A643 N645 K650 L651A640-R647 WeakPolarHBondContact O-CG 3.42Å; S641-R647 WeakPolarHBondContact O-CD 3.4Å; A643-R647 WeakPolarHBondContact O-CB 3.44Å; A643-R647 WeakPolarHBondContact O-CG 3.41Å; N645-R647 PolarHBondContact O-N 3.14Å; R647-K650 PolarHBondContact O-N 3.42Å; R647-L651 HydrophobicContact CG-CD1 3.97Å; R647-L651 HydrophobicContact CG-CG 4.49Å; R647-L651 WeakPolarHBondContact O-CB 3.39Å; R647-L651 VanDerWaalsContact O-CG 3.24Å; R647-L651 WeakPolarHBondContact O-CG 3.46Å; R647-L651 PolarHBondContact O-N 2.91Å
648E83.1Confident89.9Confident143 Ų14378 Ų7867%0.66839%0.393SS*.Hα-helixtrans-64.9-45.7-177.7-65.9178-17900112.3D646 K650 L651 E652D646-E648 VanDerWaalsContact C-N 3.3Å; D646-E648 PolarHBondContact O-N 2.95Å; E648-K650 PolarHBondContact O-N 3.25Å; E648-L651 PolarHBondContact O-N 3.33Å; E648-E652 PolarHBondContact O-N 3.19Å
649A88.5Confident89.9Confident57 Ų5770.3 Ų70.347%0.47136%0.363SS..Hα-helixtrans-64.4-39.9177.500000111.9D646 E652 L653D646-A649 HydrophobicContact CB-CB 4.42Å; D646-A649 PolarHBondContact O-N 3.36Å; A649-E652 PolarHBondContact O-N 3.3Å; A649-L653 WeakPolarHBondContact O-CG 3.34Å; A649-L653 PolarHBondContact O-N 2.64Å
650K90.6Very high89.8Confident85 Ų8566.4 Ų66.437%0.3735%0.347SS..Hα-helixtrans-66.2-42.3175.8-73.1170.4-177.4160.30112.1A640 A643 N645 D646 R647 E648 E652 L653 V654A640-K650 HydrophobicContact CB-CB 3.95Å; A643-K650 HydrophobicContact CB-CD 3.81Å; N645-K650 PolarHBondContact O-NZ 3.18Å; D646-K650 WeakPolarHBondContact O-CB 3.48Å; D646-K650 WeakPolarHBondContact O-CG 3.28Å; D646-K650 PolarHBondContact O-N 3.15Å; R647-K650 PolarHBondContact O-N 3.42Å; E648-K650 PolarHBondContact O-N 3.25Å; K650-E652 VanDerWaalsContact C-N 3.29Å; K650-E652 PolarHBondContact O-N 3.14Å; K650-L653 PolarHBondContact O-N 3.34Å; K650-V654 WeakPolarHBondContact O-CG2 3.37Å; K650-V654 PolarHBondContact O-N 3.24Å; K650-V654 VanDerWaalsContact O-N 3.14Å
651L89Confident89.9Confident43 Ų4371.2 Ų71.223%0.22537%0.372CS..Hα-helixtrans-61.5-40.2174.7-75.6170.4000110.9F637 A640 R647 E648 V654 A655F637-L651 HydrophobicContact CD2-CD2 4.13Å; F637-L651 HydrophobicContact CE2-CD2 3.72Å; F637-L651 HydrophobicContact CZ-CD2 3.94Å; A640-L651 HydrophobicContact CB-CD2 3.91Å; A640-L651 HydrophobicContact CB-CG 4.26Å; R647-L651 HydrophobicContact CG-CD1 3.97Å; R647-L651 HydrophobicContact CG-CG 4.49Å; R647-L651 WeakPolarHBondContact O-CB 3.39Å; R647-L651 VanDerWaalsContact O-CG 3.24Å; R647-L651 WeakPolarHBondContact O-CG 3.46Å; R647-L651 PolarHBondContact O-N 2.91Å; E648-L651 PolarHBondContact O-N 3.33Å; L651-V654 PolarHBondContact O-N 3.13Å; L651-A655 WeakPolarHBondContact O-CB 3.26Å; L651-A655 PolarHBondContact O-N 2.71Å
652E88.4Confident90.1Very high36 Ų3669.1 Ų69.117%0.16836%0.357CS..Hα-helixtrans-63.9-44.7176.8177.454.7-164.600112.7R564 R566 E648 A649 K650 V654 A655 N656R564-E652 WeakPolarHBondContact CD-OE2 3.38Å; R564-E652 WeakPolarHBondContact CG-OE2 3.25Å; R564-E652 IonicContact CZ-OE2 3.49Å; R564-E652 IonicContact NE-OE1 2.97Å; R564-E652 IonicContact NE-OE2 3.2Å; R564-E652 PolarHBondContact NE-OE2 3.02Å; R566-E652 IonicContact CZ-OE1 3.45Å; R566-E652 IonicContact NH1-OE1 3.25Å; R566-E652 IonicContact NH2-OE1 2.75Å; R566-E652 PolarHBondContact NH2-OE1 3.46Å; E648-E652 PolarHBondContact O-N 3.19Å; A649-E652 PolarHBondContact O-N 3.3Å; K650-E652 VanDerWaalsContact C-N 3.29Å; K650-E652 PolarHBondContact O-N 3.14Å; E652-V654 VanDerWaalsContact C-N 3.32Å; E652-V654 PolarHBondContact O-N 3.03Å; E652-A655 PolarHBondContact O-N 3.07Å; E652-N656 WeakPolarHBondContact O-CB 3.27Å; E652-N656 PolarHBondContact O-N 3.26Å
653L91.3Very high90.2Very high128 Ų12868.1 Ų68.167%0.6735%0.347SS*.Hα-helixtrans-59.3-45178.2-72.3172.4000111.6A649 K650 N656 E657A649-L653 WeakPolarHBondContact O-CG 3.34Å; A649-L653 PolarHBondContact O-N 2.64Å; K650-L653 PolarHBondContact O-N 3.34Å; L653-N656 PolarHBondContact O-N 2.82Å; L653-E657 PolarHBondContact O-N 2.93Å
654V92.3Very high90.3Very high17 Ų1767.7 Ų67.710%0.10334%0.343CS..Hα-helixtrans-68.9-41.31781770000110.8W633 N636 F637 A640 K650 L651 E652 N656 E657W633-V654 HydrophobicContact CD2-CG1 4.37Å; W633-V654 HydrophobicContact CG-CG1 4.47Å; W633-V654 HydrophobicContact CZ2-CG1 4.02Å; W633-V654 VanDerWaalsContact NE1-CG1 3.26Å; W633-V654 PolarHBondContact NE1-O 3.09Å; N636-V654 HydrophobicContact CB-CG1 4.3Å; N636-V654 HydrophobicContact CB-CG2 4.25Å; F637-V654 HydrophobicContact CB-CG1 3.92Å; F637-V654 HydrophobicContact CD2-CG1 4.05Å; A640-V654 HydrophobicContact CB-CG2 4.11Å; K650-V654 WeakPolarHBondContact O-CG2 3.37Å; K650-V654 PolarHBondContact O-N 3.24Å; K650-V654 VanDerWaalsContact O-N 3.14Å; L651-V654 PolarHBondContact O-N 3.13Å; E652-V654 VanDerWaalsContact C-N 3.32Å; E652-V654 PolarHBondContact O-N 3.03Å; V654-N656 VanDerWaalsContact C-N 3.31Å; V654-N656 PolarHBondContact O-N 2.83Å; V654-E657 VanDerWaalsContact O-CB 3.32Å; V654-E657 WeakPolarHBondContact O-CB 3.13Å; V654-E657 PolarHBondContact O-N 3.34Å; V654-E657 VanDerWaalsContact O-N 3.14Å
655A91.7Very high90.6Very high4 Ų459.9 Ų59.93%0.03330%0.302CS..Hα-helixtrans-62.6-38.417700000112L558 L651 E652 E657 I658 E659L558-A655 HydrophobicContact CD1-CB 4.2Å; L558-A655 HydrophobicContact CD2-CB 3.95Å; L651-A655 WeakPolarHBondContact O-CB 3.26Å; L651-A655 PolarHBondContact O-N 2.71Å; E652-A655 PolarHBondContact O-N 3.07Å; A655-E657 VanDerWaalsContact C-N 3.29Å; A655-E657 PolarHBondContact O-N 3.44Å; A655-I658 VanDerWaalsContact O-CG2 3.28Å; A655-I658 WeakPolarHBondContact O-CG2 3.44Å; A655-I658 PolarHBondContact O-N 3.1Å; A655-E659 VanDerWaalsContact O-CG 3.3Å; A655-E659 WeakPolarHBondContact O-CG 3.46Å; A655-E659 PolarHBondContact O-N 3.2Å
656N92.3Very high90.7Very high47 Ų4754.2 Ų54.225%0.25127%0.272SS..Hα-helixtrans-68.3-25175.8-170.163.7000113.1R592 E652 L653 V654 Q660R592-N656 PolarHBondContact NE-OD1 2.92Å; R592-N656 PolarHBondContact NH2-OD1 3.42Å; E652-N656 WeakPolarHBondContact O-CB 3.27Å; E652-N656 PolarHBondContact O-N 3.26Å; L653-N656 PolarHBondContact O-N 2.82Å; V654-N656 VanDerWaalsContact C-N 3.31Å; V654-N656 PolarHBondContact O-N 2.83Å; N656-Q660 PolarHBondContact ND2-NE2 2.89Å; N656-Q660 WeakPolarHBondContact O-CG 3.36Å; N656-Q660 PolarHBondContact O-NE2 3.42Å; N656-Q660 PolarHBondContact OD1-NE2 3.27Å
657E92.2Very high91.1Very high72 Ų7248.5 Ų48.534%0.33624%0.241SC..Hα-helixtrans-65.6-41.3177.5-166.2-172.817100112F629 L653 V654 A655F629-E657 HydrophobicContact CZ-CG 4.14Å; L653-E657 PolarHBondContact O-N 2.93Å; V654-E657 VanDerWaalsContact O-CB 3.32Å; V654-E657 WeakPolarHBondContact O-CB 3.13Å; V654-E657 PolarHBondContact O-N 3.34Å; V654-E657 VanDerWaalsContact O-N 3.14Å; A655-E657 VanDerWaalsContact C-N 3.29Å; A655-E657 PolarHBondContact O-N 3.44Å
658I93.1Very high91.4Very high4 Ų442.2 Ų42.22%0.02122%0.217CC..Hα-helixtrans-84.2-18.3-178.3-168161.4000113.3L558 V570 V580 V625 F629 Y630 W633 A655 Q660L558-I658 HydrophobicContact CD1-CG2 3.81Å; V570-I658 HydrophobicContact CG1-CD1 4.46Å; V570-I658 HydrophobicContact CG2-CD1 4Å; V580-I658 HydrophobicContact CG2-CD1 3.97Å; V580-I658 HydrophobicContact CG2-CG1 3.73Å; V625-I658 HydrophobicContact CG2-CG1 4.29Å; F629-I658 HydrophobicContact CE1-CB 4.49Å; F629-I658 HydrophobicContact CE1-CG1 4.35Å; Y630-I658 HydrophobicContact CD2-CD1 4.47Å; W633-I658 HydrophobicContact CD2-CB 4.31Å; W633-I658 HydrophobicContact CD2-CD1 3.75Å; W633-I658 HydrophobicContact CD2-CG2 4.46Å; W633-I658 HydrophobicContact CE3-CD1 4Å; W633-I658 HydrophobicContact CG-CB 4.3Å; W633-I658 HydrophobicContact CG-CD1 4.09Å; W633-I658 HydrophobicContact CZ2-CB 4.39Å; W633-I658 HydrophobicContact CZ2-CD1 4.42Å; W633-I658 HydrophobicContact CZ2-CG2 3.67Å; W633-I658 HydrophobicContact CZ3-CD1 4.45Å; A655-I658 VanDerWaalsContact O-CG2 3.28Å; A655-I658 WeakPolarHBondContact O-CG2 3.44Å; A655-I658 PolarHBondContact O-N 3.1Å; I658-Q660 VanDerWaalsContact C-N 3.33Å
659E92.5Very high91.8Very high0 Ų035.4 Ų35.40%019%0.186CC..THydrogen-bonded Turntrans-92.620179.8-66.9172.6156.300113.3L558 R564 R566 V582 R592 A655 L662L558-E659 HydrophobicContact CD1-CG 3.98Å; L558-E659 WeakPolarHBondContact CD1-OE1 3.21Å; R564-E659 IonicContact CZ-OE1 2.74Å; R564-E659 IonicContact CZ-OE2 2.73Å; R564-E659 IonicContact NH2-OE1 3.59Å; R564-E659 PolarHBondContact NH2-OE1 2.91Å; R564-E659 IonicContact NH2-OE2 3.54Å; R564-E659 PolarHBondContact NH2-OE2 3.29Å; R566-E659 IonicContact CZ-OE2 2.75Å; R566-E659 IonicContact NE-OE1 3.82Å; R566-E659 IonicContact NE-OE2 2.67Å; R566-E659 PolarHBondContact NE-OE2 3.47Å; R566-E659 IonicContact NH2-OE2 2.95Å; R566-E659 PolarHBondContact NH2-OE2 3.41Å; V582-E659 HydrophobicContact CG2-CG 4.31Å; R592-E659 WeakPolarHBondContact CB-O 3.15Å; A655-E659 VanDerWaalsContact O-CG 3.3Å; A655-E659 WeakPolarHBondContact O-CG 3.46Å; A655-E659 PolarHBondContact O-N 3.2Å; E659-L662 WeakPolarHBondContact O-CD1 3.08Å; E659-L662 WeakPolarHBondContact O-CG 3.36Å
660Q90.7Very high91.9Very high74 Ų7432.8 Ų32.835%0.34616%0.164SC..  trans-88.5154.8174-62-57.2-44.500111.9N656 I658N656-Q660 PolarHBondContact ND2-NE2 2.89Å; N656-Q660 WeakPolarHBondContact O-CG 3.36Å; N656-Q660 PolarHBondContact O-NE2 3.42Å; N656-Q660 PolarHBondContact OD1-NE2 3.27Å; I658-Q660 VanDerWaalsContact C-N 3.33Å
661N92Very high91.8Very high107 Ų10731 Ų3157%0.57216%0.156SC*.SBendtrans58.944.1176.3-56.3-53.3000113.9R592 A594 T623R592-N661 PolarHBondContact O-N 3.43Å; R592-N661 VanDerWaalsContact O-N 3.13Å; A594-N661 HydrophobicContact CB-CB 4.14Å; T623-N661 PolarHBondContact OG1-O 3.14Å
662L92.9Very high91.8Very high0 Ų029.1 Ų29.10%015%0.147CC..BIsolated β-bridgetrans-72.4148.3177.8-60.6172.7000111.7V582 I589 R592 L593 A594 A621 T623 E659V582-L662 HydrophobicContact CB-CD1 4.24Å; V582-L662 HydrophobicContact CG1-CD1 4.43Å; V582-L662 HydrophobicContact CG2-CD1 4.07Å; V582-L662 HydrophobicContact CG2-CD2 3.89Å; I589-L662 HydrophobicContact CD1-CD1 4.47Å; R592-L662 HydrophobicContact CB-CD1 4.04Å; R592-L662 PolarHBondContact O-N 3.1Å; L593-L662 CarbonylContact C-O 3.59Å; L593-L662 VanDerWaalsContact CA-O 3.26Å; L593-L662 WeakPolarHBondContact CA-O 3.37Å; L593-L662 HydrophobicContact CD2-CB 4.17Å; L593-L662 WeakPolarHBondContact CD2-O 3.25Å; A594-L662 PolarHBondContact N-O 3.04Å; A621-L662 HydrophobicContact CB-CB 3.91Å; A621-L662 HydrophobicContact CB-CD1 4.33Å; T623-L662 HydrophobicContact CG2-CD2 3.79Å; E659-L662 WeakPolarHBondContact O-CD1 3.08Å; E659-L662 WeakPolarHBondContact O-CG 3.36Å
663Q92.8Very high91.9Very high57 Ų5730.6 Ų30.627%0.26615%0.153SC..EExtended strand (participates in β ladder)trans-101122.8171-64.2-67.2-3200109.3T596 A621 W622 L665T596-Q663 PolarHBondContact OG1-NE2 2.9Å; A621-Q663 CarbonylContact C-O 3.6Å; A621-Q663 WeakPolarHBondContact CA-O 3.49Å; A621-Q663 WeakPolarHBondContact CB-O 3.46Å; W622-Q663 PolarHBondContact N-O 3.33Å; W622-Q663 PolarHBondContact O-N 2.61Å; Q663-L665 PolarHBondContact O-N 2.71Å
664L93.8Very high91.9Very high7 Ų725.3 Ų25.34%0.03713%0.125CC..EExtended strand (participates in β ladder)trans-74.1125177.7-173.370000110.1I589 F590 L593 S597 T603 C619I589-L664 HydrophobicContact CG2-CD1 4.44Å; F590-L664 HydrophobicContact CZ-CD2 4.13Å; L593-L664 HydrophobicContact CD1-CB 3.99Å; L593-L664 HydrophobicContact CD1-CD2 4.32Å; L593-L664 HydrophobicContact CD2-CB 3.76Å; S597-L664 WeakPolarHBondContact OG-CB 3.38Å; S597-L664 PolarHBondContact OG-N 2.88Å; T603-L664 HydrophobicContact CG2-CD2 4.1Å; C619-L664 HydrophobicContact CB-CD1 4.22Å
665L92.3Very high91.8Very high5 Ų525.4 Ų25.43%0.02612%0.124CC..EExtended strand (participates in β ladder)trans-92.6-37.8171.7-72.2167.5000111.9G431 L460 Q463 F464 I467 I620 W622 Q663G431-L665 PolarHBondContact N-O 3.4Å; L460-L665 HydrophobicContact CD2-CD2 3.89Å; Q463-L665 HydrophobicContact CB-CD1 4.29Å; Q463-L665 HydrophobicContact CB-CD2 4.42Å; F464-L665 HydrophobicContact CD2-CB 4.29Å; I467-L665 HydrophobicContact CD1-CD1 3.27Å; I620-L665 PolarHBondContact O-N 3.36Å; W622-L665 VanDerWaalsContact CD1-CG 3.47Å; W622-L665 HydrophobicContact CG-CD1 4.21Å; Q663-L665 PolarHBondContact O-N 2.71Å
666G92.9Very high91.7Very high0 Ų027.7 Ų27.70%014%0.138CC..EExtended strand (participates in β ladder)trans167.4-167.1-17100000113.9S429 I620S429-G666 CarbonylContact O-C 3.4Å; S429-G666 WeakPolarHBondContact O-CA 3.16Å; I620-G666 PolarHBondContact N-O 3.46Å; I620-G666 PolarHBondContact O-N 3.45Å
667A93.4Very high91.6Very high0 Ų027 Ų270%014%0.142CC..EExtended strand (participates in β ladder)trans-138.4148.5177.400000111.5C428 S429 T603 L607 L618C428-A667 CarbonylContact C-O 3.52Å; C428-A667 WeakPolarHBondContact CA-O 3.2Å; S429-A667 PolarHBondContact N-O 2.84Å; S429-A667 PolarHBondContact O-N 2.9Å; T603-A667 HydrophobicContact CG2-CB 3.84Å; L607-A667 HydrophobicContact CD2-CB 3.63Å; L607-A667 HydrophobicContact CG-CB 4.15Å; L618-A667 CarbonylContact O-C 3.39Å; L618-A667 WeakPolarHBondContact O-CA 3.34Å; L618-A667 WeakPolarHBondContact O-CB 3.36Å
668T93.3Very high91.7Very high0 Ų023.6 Ų23.60%013%0.126CC..EExtended strand (participates in β ladder)trans-103.9150.1172.661.60000110.1F425 F464 L468 L522 T617 L618 I620F425-T668 HydrophobicContact CE2-CG2 3.67Å; F425-T668 HydrophobicContact CZ-CG2 4.26Å; F464-T668 HydrophobicContact CE1-CG2 4.19Å; F464-T668 HydrophobicContact CE2-CG2 4.39Å; F464-T668 HydrophobicContact CZ-CG2 3.54Å; L468-T668 HydrophobicContact CD1-CG2 4.44Å; L468-T668 HydrophobicContact CD2-CG2 4.11Å; L522-T668 HydrophobicContact CD2-CG2 3.86Å; T617-T668 VanDerWaalsContact CA-O 3.29Å; T617-T668 WeakPolarHBondContact CA-O 3.3Å; L618-T668 WeakPolarHBondContact CB-OG1 3.4Å; L618-T668 PolarHBondContact N-O 3.29Å; L618-T668 PolarHBondContact O-N 2.8Å; L618-T668 PolarHBondContact O-OG1 3.26Å; I620-T668 HydrophobicContact CD1-CG2 3.79Å; I620-T668 HydrophobicContact CG1-CG2 4.39Å
669A91.6Very high91.7Very high0 Ų025 Ų250%014%0.135CC..EExtended strand (participates in β ladder)trans-129115.8172.300000109.9K426 R427 F610 L615 R616K426-A669 PolarHBondContact N-O 3.45Å; R427-A669 HydrophobicContact CB-CB 3.95Å; R427-A669 PolarHBondContact N-O 3.39Å; R427-A669 WeakPolarHBondContact O-CA 3.41Å; R427-A669 WeakPolarHBondContact O-CB 3.44Å; R427-A669 PolarHBondContact O-N 3.48Å; F610-A669 HydrophobicContact CB-CB 4.21Å; F610-A669 HydrophobicContact CD1-CB 4.25Å; F610-A669 HydrophobicContact CD2-CB 3.72Å; F610-A669 HydrophobicContact CE2-CB 4.07Å; F610-A669 HydrophobicContact CG-CB 3.81Å; F610-A669 HydrophobicContact CZ-CB 4.49Å; L615-A669 HydrophobicContact CB-CB 4.01Å; L615-A669 HydrophobicContact CD1-CB 3.86Å; R616-A669 CarbonylContact O-C 3.55Å; R616-A669 WeakPolarHBondContact O-CA 3.49Å
670I90.8Very high91.7Very high2 Ų230.5 Ų30.51%0.0116%0.161CC..EExtended strand (participates in β ladder)trans-107131-178.2-56.7173.1000108.1M423 E424 D518 A521 L522 R616M423-I670 HydrophobicContact CB-CG2 3.85Å; E424-I670 CarbonylContact O-C 3.56Å; E424-I670 WeakPolarHBondContact O-CA 3.35Å; D518-I670 HydrophobicContact CB-CD1 3.98Å; A521-I670 HydrophobicContact CB-CG2 4.37Å; L522-I670 HydrophobicContact CD2-CD1 3.82Å; L522-I670 HydrophobicContact CD2-CG1 4.31Å; L522-I670 HydrophobicContact CG-CD1 3.95Å; R616-I670 HydrophobicContact CB-CB 4.41Å; R616-I670 WeakPolarHBondContact CB-O 3.48Å; R616-I670 PolarHBondContact N-O 3.13Å; R616-I670 PolarHBondContact O-N 3.01Å
671E89.2Confident91.9Very high47 Ų4727.1 Ų27.122%0.2215%0.145CC..EExtended strand (participates in β ladder)trans-92.1128.9173.6-170.4-179.2175.200109.8M423 E424 K426 L615 K673M423-E671 WeakPolarHBondContact CA-O 3.42Å; E424-E671 PolarHBondContact N-O 3.38Å; E424-E671 PolarHBondContact O-N 3.46Å; K426-E671 HydrophobicContact CB-CB 4.09Å; K426-E671 WeakPolarHBondContact CD-OE2 3.4Å; L615-E671 HydrophobicContact CD2-CB 3.62Å; L615-E671 HydrophobicContact CD2-CG 3.94Å; E671-K673 PolarHBondContact O-N 3.37Å
672D89Confident92Very high5 Ų522.1 Ų22.13%0.02712%0.119CC..EExtended strand (participates in β ladder)trans-8697.8163.1-174.7-2.7000107.6K414 M423 R616 L674 I706K414-D672 IonicContact NZ-OD2 3.23Å; K414-D672 PolarHBondContact NZ-OD2 3.06Å; M423-D672 HydrophobicContact CE-CB 4.11Å; M423-D672 HydrophobicContact SD-CB 3.64Å; R616-D672 IonicContact CZ-OD2 2.79Å; R616-D672 IonicContact NH2-OD2 3.57Å; R616-D672 PolarHBondContact NH2-OD2 3.07Å; D672-L674 PolarHBondContact O-N 2.94Å; D672-I706 HydrophobicContact CB-CD1 3.89Å
673K89.4Confident91.9Very high66 Ų6624 Ų2429%0.28713%0.131SC..EExtended strand (participates in β ladder)trans-63.6123.8-163.6-168.5168.8-171.4137.20111.2T419 R420 V422 E424 E671T419-K673 CarbonylContact C-O 3.56Å; T419-K673 WeakPolarHBondContact CA-O 3.23Å; R420-K673 PolarHBondContact N-O 3.39Å; V422-K673 HydrophobicContact CB-CB 4.46Å; V422-K673 VanDerWaalsContact O-CB 3.27Å; V422-K673 WeakPolarHBondContact O-CB 3.48Å; V422-K673 PolarHBondContact O-N 2.56Å; E424-K673 IonicContact OE2-NZ 2.88Å; E424-K673 PolarHBondContact OE2-NZ 3.12Å; E671-K673 PolarHBondContact O-N 3.37Å
674L91.9Very high91.9Very high17 Ų1721.6 Ų21.69%0.08912%0.121CC..EExtended strand (participates in β ladder)trans-71.5157.5175.5-59.3-177.9000111.9L418 T419 R420 D672 V678 P679 I706L418-L674 CarbonylContact O-C 3.55Å; L418-L674 WeakPolarHBondContact O-CA 3.49Å; T419-L674 HydrophobicContact CG2-CD2 4.14Å; R420-L674 PolarHBondContact NE-O 2.85Å; D672-L674 PolarHBondContact O-N 2.94Å; L674-V678 HydrophobicContact CB-CB 4.47Å; L674-P679 HydrophobicContact CD1-CG 3.85Å; L674-I706 HydrophobicContact CD2-CD1 4Å; L674-I706 HydrophobicContact CD2-CG2 4.31Å
675Q90.4Very high91.9Very high19 Ų1921.3 Ų21.39%0.08912%0.119CC..PPolyproline II helixtrans-62.2156.8165.5-63.9-165.25.100110.9G416 T417 L418 R420 G677 V678G416-Q675 PolarHBondContact O-NE2 3.09Å; T417-Q675 VanDerWaalsContact O-CD 3.24Å; T417-Q675 PolarHBondContact O-NE2 3.01Å; L418-Q675 PolarHBondContact O-N 3.04Å; R420-Q675 HydrophobicContact CG-CB 4.43Å; R420-Q675 HydrophobicContact CG-CG 4.04Å; Q675-G677 PolarHBondContact O-N 3.42Å; Q675-V678 HydrophobicContact CB-CG2 3.62Å; Q675-V678 WeakPolarHBondContact O-CG2 3.29Å; Q675-V678 PolarHBondContact O-N 3.42Å
676T90.2Very high91.8Very high53 Ų5323.1 Ų23.133%0.32513%0.128SC..THydrogen-bonded Turntrans-57.1126.6-179.5-41.60000111R420 V678 R850R420-T676 PolarHBondContact NH2-OG1 3.2Å; T676-V678 VanDerWaalsContact C-N 3.29Å; T676-V678 PolarHBondContact O-N 2.92Å; T676-R850 WeakPolarHBondContact O-CB 3.37Å
677G90.2Very high91.7Very high32 Ų3228.3 Ų28.333%0.3315%0.147SC..THydrogen-bonded Turntrans73.211.7171.200000116Q675 H680 T681Q675-G677 PolarHBondContact O-N 3.42Å; G677-H680 PolarHBondContact O-N 3.08Å; G677-T681 WeakPolarHBondContact O-CB 3.41Å; G677-T681 PolarHBondContact O-N 3.39Å; G677-T681 PolarHBondContact O-OG1 2.87Å
678V93.7Very high91.5Very high0 Ų028.3 Ų28.30%015%0.147CC..Hα-helixtrans-57.5-50.4177.3169.80000112.6L418 L674 Q675 T676 H680 T681 I682 F849L418-V678 HydrophobicContact CD2-CG1 3.79Å; L674-V678 HydrophobicContact CB-CB 4.47Å; Q675-V678 HydrophobicContact CB-CG2 3.62Å; Q675-V678 WeakPolarHBondContact O-CG2 3.29Å; Q675-V678 PolarHBondContact O-N 3.42Å; T676-V678 VanDerWaalsContact C-N 3.29Å; T676-V678 PolarHBondContact O-N 2.92Å; V678-H680 VanDerWaalsContact C-N 3.34Å; V678-H680 PolarHBondContact O-N 2.99Å; V678-T681 PolarHBondContact O-N 2.97Å; V678-T681 VanDerWaalsContact O-N 3.13Å; V678-I682 HydrophobicContact CG1-CD1 3.7Å; V678-I682 HydrophobicContact CG1-CG1 4.36Å; V678-I682 PolarHBondContact O-N 3.21Å; V678-F849 HydrophobicContact CB-CD1 4.4Å; V678-F849 HydrophobicContact CG1-CD1 4.29Å; V678-F849 HydrophobicContact CG1-CE1 4.44Å; V678-F849 HydrophobicContact CG2-CB 3.99Å; V678-F849 HydrophobicContact CG2-CD1 3.92Å; V678-F849 HydrophobicContact CG2-CG 4.2Å
679P92Very high91.3Very high33 Ų3328.8 Ų28.821%0.21415%0.152CC..Hα-helixtrans-61.2-42.2-178.4-2333.9000112.6L674 T681 I682 S683 Q711L674-P679 HydrophobicContact CD1-CG 3.85Å; P679-T681 VanDerWaalsContact C-N 3.34Å; P679-T681 PolarHBondContact O-N 3.19Å; P679-I682 PolarHBondContact O-N 3.42Å; P679-S683 WeakPolarHBondContact O-CB 3.38Å; P679-S683 PolarHBondContact O-N 3.46Å; P679-Q711 HydrophobicContact CB-CG 4.26Å
680H92.8Very high91.3Very high117 Ų11729 Ų2954%0.54215%0.153SC..Hα-helixtrans-62.4-41.3176.7-176.964.6000112.1G677 V678 N684G677-H680 PolarHBondContact O-N 3.08Å; V678-H680 VanDerWaalsContact C-N 3.34Å; V678-H680 PolarHBondContact O-N 2.99Å; H680-N684 PolarHBondContact CD2-ND2 2.95Å; H680-N684 PolarHBondContact CE1-ND2 3.19Å; H680-N684 PolarHBondContact NE2-ND2 3.3Å; H680-N684 PolarHBondContact O-N 3.41Å; H680-N684 PolarHBondContact O-ND2 2.96Å
681T94.6Very high91.3Very high3 Ų329.6 Ų29.62%0.01816%0.158CC..Hα-helixtrans-66.4-47.7179.4-60.20000111.1G677 V678 P679 S683 N684 L685 F849 R850 N853G677-T681 WeakPolarHBondContact O-CB 3.41Å; G677-T681 PolarHBondContact O-N 3.39Å; G677-T681 PolarHBondContact O-OG1 2.87Å; V678-T681 PolarHBondContact O-N 2.97Å; V678-T681 VanDerWaalsContact O-N 3.13Å; P679-T681 VanDerWaalsContact C-N 3.34Å; P679-T681 PolarHBondContact O-N 3.19Å; T681-S683 VanDerWaalsContact C-N 3.33Å; T681-S683 PolarHBondContact O-N 2.82Å; T681-N684 PolarHBondContact O-N 3.29Å; T681-L685 HydrophobicContact CG2-CD1 3.84Å; T681-L685 HydrophobicContact CG2-CG 4.32Å; T681-L685 VanDerWaalsContact O-CG 3.25Å; T681-L685 WeakPolarHBondContact O-CG 3.33Å; T681-L685 PolarHBondContact O-N 3.23Å; T681-F849 HydrophobicContact CG2-CD1 3.97Å; T681-F849 HydrophobicContact CG2-CE1 3.69Å; T681-R850 WeakPolarHBondContact OG1-CA 3.28Å; T681-N853 HydrophobicContact CG2-CB 3.83Å
682I94Very high91.6Very high2 Ų227.5 Ų27.51%0.0115%0.148CC..Hα-helixtrans-59.5-44.6177.3-73.5177.3000110.8L418 V678 P679 N684 L685 M686 I692 C710 L712 F849L418-I682 HydrophobicContact CD2-CD1 4.07Å; V678-I682 HydrophobicContact CG1-CD1 3.7Å; V678-I682 HydrophobicContact CG1-CG1 4.36Å; V678-I682 PolarHBondContact O-N 3.21Å; P679-I682 PolarHBondContact O-N 3.42Å; I682-N684 PolarHBondContact O-N 3.47Å; I682-L685 PolarHBondContact O-N 3.39Å; I682-M686 HydrophobicContact CG2-CE 4.21Å; I682-M686 HydrophobicContact CG2-CG 4.49Å; I682-M686 WeakPolarHBondContact O-CG 3.36Å; I682-M686 PolarHBondContact O-N 2.96Å; I682-I692 HydrophobicContact CB-CD1 4.28Å; I682-I692 HydrophobicContact CG1-CD1 4.04Å; I682-I692 HydrophobicContact CG2-CD1 4.03Å; I682-C710 HydrophobicContact CD1-CB 3.69Å; I682-L712 HydrophobicContact CG2-CB 4.5Å; I682-L712 HydrophobicContact CG2-CD1 4.4Å; I682-F849 HydrophobicContact CD1-CE1 4.36Å; I682-F849 HydrophobicContact CD1-CZ 4.48Å; I682-F849 HydrophobicContact CG1-CE1 3.83Å; I682-F849 HydrophobicContact CG1-CZ 4.1Å
683S91.7Very high91.9Very high38 Ų3827.3 Ų27.327%0.26615%0.147SC..Hα-helixtrans-59.2-44.9176.4-173.10000112.6P679 T681 R687P679-S683 WeakPolarHBondContact O-CB 3.38Å; P679-S683 PolarHBondContact O-N 3.46Å; T681-S683 VanDerWaalsContact C-N 3.33Å; T681-S683 PolarHBondContact O-N 2.82Å; S683-R687 WeakPolarHBondContact O-CG 3.42Å; S683-R687 PolarHBondContact O-N 3.41Å
684N92.7Very high92.2Very high8 Ų824.6 Ų24.64%0.04314%0.136CC..Hα-helixtrans-65.7-41.8177.1-72.4-21.7000112.6H680 T681 I682 R687 A688 N853 L857 P936H680-N684 PolarHBondContact CD2-ND2 2.95Å; H680-N684 PolarHBondContact CE1-ND2 3.19Å; H680-N684 PolarHBondContact NE2-ND2 3.3Å; H680-N684 PolarHBondContact O-N 3.41Å; H680-N684 PolarHBondContact O-ND2 2.96Å; T681-N684 PolarHBondContact O-N 3.29Å; I682-N684 PolarHBondContact O-N 3.47Å; N684-R687 PolarHBondContact O-N 3.37Å; N684-A688 PolarHBondContact O-N 3.47Å; N684-N853 PolarHBondContact ND2-ND2 3.37Å; N684-L857 HydrophobicContact CB-CD1 4.44Å; N684-P936 HydrophobicContact CB-CB 4.47Å; N684-P936 HydrophobicContact CB-CG 3.81Å; N684-P936 WeakPolarHBondContact O-CB 3.05Å
685L94.1Very high92.3Very high0 Ų023.8 Ų23.80%013%0.131CC..Hα-helixtrans-65.4-42178-67.2172.7000111.6I410 T681 I682 R687 A688 G689 I690 I692 L852 L856I410-L685 HydrophobicContact CD1-CD1 3.91Å; I410-L685 HydrophobicContact CD1-CD2 4.5Å; T681-L685 HydrophobicContact CG2-CD1 3.84Å; T681-L685 HydrophobicContact CG2-CG 4.32Å; T681-L685 VanDerWaalsContact O-CG 3.25Å; T681-L685 WeakPolarHBondContact O-CG 3.33Å; T681-L685 PolarHBondContact O-N 3.23Å; I682-L685 PolarHBondContact O-N 3.39Å; L685-R687 VanDerWaalsContact C-N 3.33Å; L685-R687 PolarHBondContact O-N 2.87Å; L685-A688 WeakPolarHBondContact O-CB 3.42Å; L685-A688 PolarHBondContact O-N 3.4Å; L685-A688 VanDerWaalsContact O-N 3.17Å; L685-G689 PolarHBondContact O-N 2.97Å; L685-I690 HydrophobicContact CB-CB 4.47Å; L685-I690 HydrophobicContact CB-CD1 4.42Å; L685-I690 HydrophobicContact CD2-CD1 3.73Å; L685-I690 WeakPolarHBondContact O-CB 3.24Å; L685-I690 PolarHBondContact O-N 3Å; L685-I692 HydrophobicContact CB-CD1 4.1Å; L685-I692 HydrophobicContact CD1-CD1 4.25Å; L685-L852 HydrophobicContact CD1-CD2 4.13Å; L685-L852 HydrophobicContact CD1-CG 4.5Å; L685-L856 HydrophobicContact CD2-CD1 3.88Å
686M90.9Very high92.4Very high43 Ų4322.9 Ų22.921%0.21213%0.127CC..Hα-helixtrans-62.2-40.4173.5-71.6-164.2-58.500111.8I682 A688 G689 Q711 L712I682-M686 HydrophobicContact CG2-CE 4.21Å; I682-M686 HydrophobicContact CG2-CG 4.49Å; I682-M686 WeakPolarHBondContact O-CG 3.36Å; I682-M686 PolarHBondContact O-N 2.96Å; M686-A688 VanDerWaalsContact C-N 3.3Å; M686-A688 PolarHBondContact O-N 2.88Å; M686-G689 PolarHBondContact O-N 2.91Å; M686-Q711 WeakPolarHBondContact CE-O 3.02Å; M686-L712 HydrophobicContact SD-CD1 4.26Å
687R89.6Confident92.1Very high110 Ų11021 Ų2142%0.41512%0.118SC..Hα-helixtrans-64.5-33.6174.6-74.5176.563.9-176.1-6.5112.7S683 N684 L685 G689 P936 E937 K940S683-R687 WeakPolarHBondContact O-CG 3.42Å; S683-R687 PolarHBondContact O-N 3.41Å; N684-R687 PolarHBondContact O-N 3.37Å; L685-R687 VanDerWaalsContact C-N 3.33Å; L685-R687 PolarHBondContact O-N 2.87Å; R687-G689 PolarHBondContact O-N 3.43Å; R687-P936 HydrophobicContact CB-CB 4.35Å; R687-E937 IonicContact CZ-OE1 3.45Å; R687-E937 VanDerWaalsContact CZ-OE1 3.29Å; R687-E937 IonicContact NE-OE1 3.53Å; R687-E937 PolarHBondContact NE-OE1 3.5Å; R687-E937 IonicContact NH2-OE1 3Å; R687-E937 PolarHBondContact NH2-OE1 2.74Å; R687-E937 IonicContact NH2-OE2 2.69Å; R687-K940 WeakPolarHBondContact O-CE 3.5Å
688A90.5Very high91.8Very high0 Ų019.7 Ų19.70%010%0.104CC..THydrogen-bonded Turntrans-66.7-7.5172.500000113.8N684 L685 M686 I690 L857 P936 Y939 K940 Q943N684-A688 PolarHBondContact O-N 3.47Å; L685-A688 WeakPolarHBondContact O-CB 3.42Å; L685-A688 PolarHBondContact O-N 3.4Å; L685-A688 VanDerWaalsContact O-N 3.17Å; M686-A688 VanDerWaalsContact C-N 3.3Å; M686-A688 PolarHBondContact O-N 2.88Å; A688-I690 HydrophobicContact CB-CD1 4.22Å; A688-I690 HydrophobicContact CB-CG1 4.34Å; A688-L857 HydrophobicContact CB-CD2 3.68Å; A688-P936 WeakPolarHBondContact CA-O 3.12Å; A688-P936 HydrophobicContact CB-CB 3.91Å; A688-P936 WeakPolarHBondContact CB-O 3.24Å; A688-Y939 HydrophobicContact CB-CD1 4.24Å; A688-Y939 HydrophobicContact CB-CG 4.38Å; A688-K940 WeakPolarHBondContact O-CG 3.48Å; A688-Q943 PolarHBondContact O-OE1 3.35Å
689G88.2Confident91.2Very high10 Ų1021.6 Ų21.610%0.10311%0.112CC..THydrogen-bonded Turntrans83.528.3-176.700000113.2L685 M686 R687 Q943L685-G689 PolarHBondContact O-N 2.97Å; M686-G689 PolarHBondContact O-N 2.91Å; R687-G689 PolarHBondContact O-N 3.43Å; G689-Q943 PolarHBondContact O-NE2 3.38Å
690I92.4Very high90.9Very high3 Ų321.7 Ų21.72%0.01511%0.11CC..  trans-102124.3175.9-57.5168.9000108.8R408 I410 L685 A688 L856 Y939R408-I690 WeakPolarHBondContact O-CA 3.35Å; I410-I690 HydrophobicContact CB-CG2 4.34Å; I410-I690 HydrophobicContact CD1-CG2 3.51Å; I410-I690 HydrophobicContact CG1-CG2 3.58Å; L685-I690 HydrophobicContact CB-CB 4.47Å; L685-I690 HydrophobicContact CB-CD1 4.42Å; L685-I690 HydrophobicContact CD2-CD1 3.73Å; L685-I690 WeakPolarHBondContact O-CB 3.24Å; L685-I690 PolarHBondContact O-N 3Å; A688-I690 HydrophobicContact CB-CD1 4.22Å; A688-I690 HydrophobicContact CB-CG1 4.34Å; I690-L856 HydrophobicContact CD1-CD1 4.32Å; I690-Y939 HydrophobicContact CD1-CD1 4.19Å; I690-Y939 HydrophobicContact CD1-CE1 3.87Å; I690-Y939 HydrophobicContact CG1-CD1 4.41Å; I690-Y939 HydrophobicContact CG1-CE1 4.18Å
691S91Very high90.4Very high16 Ų1618.4 Ų18.411%0.11210%0.095CC..EExtended strand (participates in β ladder)trans-86.3128.5174.9-60.30000109.9R408 Y409 I410R408-S691 PolarHBondContact O-N 3.42Å; Y409-S691 WeakPolarHBondContact CA-O 3.47Å; I410-S691 PolarHBondContact N-O 2.82Å
692I94.6Very high89.9Confident2 Ų218.4 Ų18.41%0.0110%0.095CC..EExtended strand (participates in β ladder)trans-108.5126.2-177.7-57.8174.3000109.3I410 I682 L685 L712I410-I692 HydrophobicContact CB-CG1 4.27Å; I410-I692 CarbonylContact O-C 3.52Å; I410-I692 WeakPolarHBondContact O-CA 3.34Å; I682-I692 HydrophobicContact CB-CD1 4.28Å; I682-I692 HydrophobicContact CG1-CD1 4.04Å; I682-I692 HydrophobicContact CG2-CD1 4.03Å; L685-I692 HydrophobicContact CB-CD1 4.1Å; L685-I692 HydrophobicContact CD1-CD1 4.25Å; I692-L712 HydrophobicContact CB-CD1 4.01Å; I692-L712 HydrophobicContact CG2-CD1 4.41Å
693W95.6Very high89.6Confident2 Ų218.4 Ų18.41%0.00810%0.095CC..EExtended strand (participates in β ladder)trans-114.8125.8177.7-66.923.6000108.1I410 F411 S412 A776 L777 V782 L795 V799I410-W693 PolarHBondContact O-N 3.35Å; F411-W693 CarbonylContact C-O 3.6Å; F411-W693 WeakPolarHBondContact CA-O 3.33Å; F411-W693 HydrophobicContact CD1-CB 3.84Å; F411-W693 HydrophobicContact CD1-CD2 4.45Å; F411-W693 HydrophobicContact CD1-CE3 4.21Å; F411-W693 HydrophobicContact CD1-CG 4.37Å; F411-W693 HydrophobicContact CE1-CB 4.17Å; F411-W693 AromaticContact CE1-CD2 3.88Å; F411-W693 HydrophobicContact CE1-CD2 3.88Å; F411-W693 AromaticContact CE1-CE3 3.51Å; F411-W693 HydrophobicContact CE1-CE3 3.51Å; F411-W693 HydrophobicContact CE1-CG 4.21Å; F411-W693 HydrophobicContact CE1-CZ3 4.14Å; F411-W693 HydrophobicContact CZ-CE3 4.45Å; S412-W693 PolarHBondContact N-O 2.86Å; W693-A776 HydrophobicContact CH2-CB 3.54Å; W693-A776 HydrophobicContact CZ2-CB 4.05Å; W693-A776 HydrophobicContact CZ3-CB 4.23Å; W693-L777 HydrophobicContact CH2-CD2 4.5Å; W693-L777 HydrophobicContact CZ2-CD2 4.19Å; W693-V782 CarbonylContact C-O 3.55Å; W693-V782 WeakPolarHBondContact CA-O 3.45Å; W693-V782 HydrophobicContact CB-CB 4.32Å; W693-V782 HydrophobicContact CD2-CB 3.67Å; W693-V782 HydrophobicContact CD2-CG1 4.35Å; W693-V782 HydrophobicContact CD2-CG2 3.78Å; W693-V782 HydrophobicContact CE3-CB 4Å; W693-V782 HydrophobicContact CE3-CG1 4.17Å; W693-V782 HydrophobicContact CE3-CG2 4.24Å; W693-V782 HydrophobicContact CG-CB 3.79Å; W693-V782 HydrophobicContact CG-CG2 4.18Å; W693-V782 HydrophobicContact CH2-CG2 4.34Å; W693-V782 HydrophobicContact CZ2-CG2 3.84Å; W693-L795 HydrophobicContact CE3-CD2 4.25Å; W693-L795 HydrophobicContact CZ3-CD1 4.21Å; W693-L795 HydrophobicContact CZ3-CD2 4.4Å; W693-L795 HydrophobicContact CZ3-CG 4.36Å; W693-V799 HydrophobicContact CH2-CG2 3.8Å; W693-V799 HydrophobicContact CZ3-CG2 3.76Å
694V95.6Very high89.4Confident8 Ų817.7 Ų17.75%0.0489%0.088CC..EExtended strand (participates in β ladder)trans-99.9118.8-179.6-179.90000108.6S412 K414 L418 L712 V782 I783 C784S412-V694 CarbonylContact O-C 3.52Å; S412-V694 WeakPolarHBondContact O-CA 3.47Å; K414-V694 HydrophobicContact CB-CG1 4.35Å; L418-V694 HydrophobicContact CD1-CG1 4.43Å; L418-V694 HydrophobicContact CD1-CG2 4.2Å; V694-L712 HydrophobicContact CG2-CD2 3.56Å; V694-V782 PolarHBondContact N-O 3.43Å; V694-I783 HydrophobicContact CB-CG1 4.4Å; V694-I783 CarbonylContact O-C 3.56Å; V694-I783 WeakPolarHBondContact O-CA 3.42Å; V694-C784 PolarHBondContact O-N 3.19Å
695L94.4Very high89.1Confident0 Ų017.8 Ų17.80%09%0.088CC..EExtended strand (participates in β ladder)trans-114.399.6-179.1-51.4-175.1000108.9F411 S412 C784 K792 L795 V796 M820F411-L695 HydrophobicContact CB-CD1 4.2Å; F411-L695 HydrophobicContact CD1-CD1 3.92Å; F411-L695 HydrophobicContact CD1-CG 4.41Å; F411-L695 HydrophobicContact CG-CD1 4.43Å; S412-L695 PolarHBondContact O-N 2.97Å; L695-C784 HydrophobicContact CD2-CB 3.75Å; L695-K792 HydrophobicContact CB-CD 4.16Å; L695-K792 HydrophobicContact CB-CG 4.09Å; L695-K792 HydrophobicContact CD1-CB 4.28Å; L695-K792 HydrophobicContact CD1-CG 4.49Å; L695-K792 WeakPolarHBondContact O-CE 3.22Å; L695-K792 PolarHBondContact O-NZ 3.02Å; L695-K792 VanDerWaalsContact O-NZ 3.1Å; L695-L795 HydrophobicContact CD1-CD2 3.97Å; L695-L795 HydrophobicContact CD2-CD2 3.4Å; L695-L795 VanDerWaalsContact CD2-CD2 3.4Å; L695-L795 HydrophobicContact CG-CD2 4.35Å; L695-V796 HydrophobicContact CD1-CG2 4.47Å; L695-M820 HydrophobicContact CB-SD 4.48Å; L695-M820 HydrophobicContact CD1-SD 3.9Å
696T91.8Very high88.9Confident0 Ų018 Ų180%09%0.089CC..  trans-118.9148.2-174.1-173.20000112.2K414 D698 A703 C784 C785 R786 V787K414-T696 WeakPolarHBondContact CB-OG1 3.21Å; T696-D698 VanDerWaalsContact C-N 3.29Å; T696-D698 HydrophobicContact CG2-CB 4.36Å; T696-D698 WeakPolarHBondContact OG1-CB 3.49Å; T696-D698 PolarHBondContact OG1-N 3.45Å; T696-D698 VanDerWaalsContact OG1-N 3.14Å; T696-A703 HydrophobicContact CG2-CB 3.77Å; T696-C784 PolarHBondContact N-O 2.99Å; T696-C785 CarbonylContact O-C 3.59Å; T696-R786 PolarHBondContact O-N 2.84Å; T696-V787 PolarHBondContact O-N 3.36Å
697G84.8Confident88.8Confident13 Ų1316.1 Ų16.113%0.1348%0.081CC..SBendtrans-80.9-7.7167.600000113.6D146D146-G697 WeakPolarHBondContact O-CA 3.32Å
698D83.7Confident88.8Confident5 Ų513.8 Ų13.83%0.0277%0.073CC..SBendtrans-76.3169.2-177.2-154.9-12.4000112.6K414 T696 T702 R786K414-D698 HydrophobicContact CD-CB 4.41Å; K414-D698 IonicContact NZ-OD2 2.72Å; K414-D698 PolarHBondContact NZ-OD2 2.72Å; T696-D698 VanDerWaalsContact C-N 3.29Å; T696-D698 HydrophobicContact CG2-CB 4.36Å; T696-D698 WeakPolarHBondContact OG1-CB 3.49Å; T696-D698 PolarHBondContact OG1-N 3.45Å; T696-D698 VanDerWaalsContact OG1-N 3.14Å; D698-T702 WeakPolarHBondContact OD2-CG2 3.44Å; D698-R786 PolarHBondContact O-N 3.02Å
699K81.3Confident88.6Confident41 Ų4114.9 Ų14.918%0.1788%0.08CC..  trans-62152.3174.8-61.1-174.9-177.7-176.60111E701 T702 A703 Q1170 E1172K699-E701 PolarHBondContact O-N 3.4Å; K699-T702 PolarHBondContact O-N 2.78Å; K699-A703 PolarHBondContact O-N 2.87Å; K699-A703 VanDerWaalsContact O-N 3.15Å; K699-Q1170 PolarHBondContact NZ-O 2.86Å; K699-E1172 IonicContact NZ-OE1 2.71Å; K699-E1172 PolarHBondContact NZ-OE1 3.35Å
700Q85.5Confident88.7Confident34 Ų3414.5 Ų14.516%0.1598%0.076CC..Hα-helixtrans-61.4-43-174.7179.6-175.7-15.900112.6T702 A703 I704 N723 I754 C785Q700-T702 VanDerWaalsContact C-N 3.32Å; Q700-T702 PolarHBondContact O-N 3.35Å; Q700-A703 WeakPolarHBondContact O-CB 3.44Å; Q700-A703 PolarHBondContact O-N 2.85Å; Q700-A703 VanDerWaalsContact O-N 3.16Å; Q700-I704 HydrophobicContact CG-CD1 3.85Å; Q700-I704 HydrophobicContact CG-CG1 4.44Å; Q700-I704 WeakPolarHBondContact O-CG1 3.34Å; Q700-I704 PolarHBondContact O-N 3.13Å; Q700-N723 PolarHBondContact OE1-ND2 3.14Å; Q700-N723 PolarHBondContact OE1-OD1 3.21Å; Q700-I754 HydrophobicContact CG-CG2 3.79Å; Q700-C785 HydrophobicContact CB-CB 4.14Å
701E82.2Confident88.4Confident49 Ų4919 Ų1923%0.22910%0.097CC..Hα-helixtrans-62-43.2-177.4-5789.316100110.9K699 A703 I704 N705 Y1166 A1167K699-E701 PolarHBondContact O-N 3.4Å; E701-A703 PolarHBondContact O-N 2.72Å; E701-I704 PolarHBondContact O-N 2.99Å; E701-N705 PolarHBondContact O-N 2.69Å; E701-Y1166 WeakPolarHBondContact CB-O 3.44Å; E701-A1167 HydrophobicContact CB-CB 4.42Å
702T82.8Confident88.2Confident3 Ų318.3 Ų18.32%0.0189%0.092CC..Hα-helixtrans-61.7-44174.6-51.90000111.8K414 D698 K699 Q700 I704 N705 I706K414-T702 HydrophobicContact CD-CG2 4.42Å; D698-T702 WeakPolarHBondContact OD2-CG2 3.44Å; K699-T702 PolarHBondContact O-N 2.78Å; Q700-T702 VanDerWaalsContact C-N 3.32Å; Q700-T702 PolarHBondContact O-N 3.35Å; T702-I704 VanDerWaalsContact C-N 3.33Å; T702-I704 PolarHBondContact O-N 2.78Å; T702-N705 PolarHBondContact O-N 2.83Å; T702-I706 WeakPolarHBondContact O-CG1 3.47Å; T702-I706 PolarHBondContact O-N 3.5Å
703A87.9Confident87.9Confident2 Ų218.4 Ų18.42%0.0179%0.093CC..Hα-helixtrans-63.7-38.6-179.700000112.1T696 K699 Q700 E701 G707 I783T696-A703 HydrophobicContact CG2-CB 3.77Å; K699-A703 PolarHBondContact O-N 2.87Å; K699-A703 VanDerWaalsContact O-N 3.15Å; Q700-A703 WeakPolarHBondContact O-CB 3.44Å; Q700-A703 PolarHBondContact O-N 2.85Å; Q700-A703 VanDerWaalsContact O-N 3.16Å; E701-A703 PolarHBondContact O-N 2.72Å; A703-G707 PolarHBondContact O-N 2.9Å; A703-I783 HydrophobicContact CB-CG2 3.73Å
704I88.1Confident87.2Confident22 Ų2220.8 Ų20.811%0.11311%0.107CC..Hα-helixtrans-66.2-46.7175.5-66.7167.5000110.7Q700 E701 T702 I706 G707 Y708 L713 I754Q700-I704 HydrophobicContact CG-CD1 3.85Å; Q700-I704 HydrophobicContact CG-CG1 4.44Å; Q700-I704 WeakPolarHBondContact O-CG1 3.34Å; Q700-I704 PolarHBondContact O-N 3.13Å; E701-I704 PolarHBondContact O-N 2.99Å; T702-I704 VanDerWaalsContact C-N 3.33Å; T702-I704 PolarHBondContact O-N 2.78Å; I704-I706 PolarHBondContact O-N 2.89Å; I704-G707 WeakPolarHBondContact O-CA 3.24Å; I704-G707 PolarHBondContact O-N 3.45Å; I704-Y708 HydrophobicContact CG2-CD2 3.88Å; I704-Y708 HydrophobicContact CG2-CE2 3.58Å; I704-Y708 VanDerWaalsContact O-CD2 3.31Å; I704-Y708 WeakPolarHBondContact O-CD2 3.36Å; I704-Y708 PolarHBondContact O-N 3.31Å; I704-L713 HydrophobicContact CG2-CD1 4.24Å; I704-I754 HydrophobicContact CD1-CD1 3.8Å; I704-I754 HydrophobicContact CG1-CD1 3.77Å
705N86.4Confident86.2Confident10 Ų1027 Ų275%0.05314%0.135CC..Hα-helixtrans-57.4-47.9177.4-76.4-14.3000111.3E701 T702 G707 Y708 S709 G1165E701-N705 PolarHBondContact O-N 2.69Å; T702-N705 PolarHBondContact O-N 2.83Å; N705-G707 VanDerWaalsContact C-N 3.29Å; N705-G707 PolarHBondContact O-N 2.93Å; N705-Y708 PolarHBondContact O-N 3.27Å; N705-Y708 VanDerWaalsContact O-N 3.15Å; N705-S709 PolarHBondContact O-N 2.85Å; N705-S709 PolarHBondContact O-OG 3Å; N705-S709 VanDerWaalsContact O-OG 3.08Å; N705-G1165 PolarHBondContact ND2-O 2.98Å
706I89.6Confident85.4Confident5 Ų531 Ų313%0.02616%0.163CC..Hα-helixtrans-62.3-36.9173.8-66.6-56.7000111.7K414 L418 T419 D672 L674 T702 I704 Y708 S709 C710K414-I706 HydrophobicContact CD-CG1 3.98Å; K414-I706 HydrophobicContact CG-CB 4.35Å; K414-I706 HydrophobicContact CG-CG1 4.17Å; K414-I706 HydrophobicContact CG-CG2 3.99Å; L418-I706 HydrophobicContact CD1-CG2 4.41Å; T419-I706 HydrophobicContact CG2-CD1 3.62Å; T419-I706 HydrophobicContact CG2-CG1 4.18Å; D672-I706 HydrophobicContact CB-CD1 3.89Å; L674-I706 HydrophobicContact CD2-CD1 4Å; L674-I706 HydrophobicContact CD2-CG2 4.31Å; T702-I706 WeakPolarHBondContact O-CG1 3.47Å; T702-I706 PolarHBondContact O-N 3.5Å; I704-I706 PolarHBondContact O-N 2.89Å; I706-Y708 VanDerWaalsContact C-N 3.28Å; I706-Y708 PolarHBondContact O-N 2.85Å; I706-S709 PolarHBondContact O-N 2.68Å; I706-C710 WeakPolarHBondContact O-CB 3.34Å; I706-C710 PolarHBondContact O-N 3.18Å; I706-C710 PolarHBondContact O-SG 2.53Å; I706-C710 VanDerWaalsContact O-SG 3.41Å
707G90Very high84.8Confident3 Ų331.4 Ų31.43%0.03117%0.166CC..Hα-helixtrans-56.4-40.8173.900000112.8A703 I704 N705 L712 L713A703-G707 PolarHBondContact O-N 2.9Å; I704-G707 WeakPolarHBondContact O-CA 3.24Å; I704-G707 PolarHBondContact O-N 3.45Å; N705-G707 VanDerWaalsContact C-N 3.29Å; N705-G707 PolarHBondContact O-N 2.93Å; G707-L712 PolarHBondContact O-N 3.16Å; G707-L713 PolarHBondContact O-N 2.97Å
708Y88.4Confident84.8Confident62 Ų6232.1 Ų32.124%0.24317%0.169CC..Hα-helixtrans-71.8-46.3173.8-75.5-66.8000112.4I704 N705 I706 C710 Q711 L713I704-Y708 HydrophobicContact CG2-CD2 3.88Å; I704-Y708 HydrophobicContact CG2-CE2 3.58Å; I704-Y708 VanDerWaalsContact O-CD2 3.31Å; I704-Y708 WeakPolarHBondContact O-CD2 3.36Å; I704-Y708 PolarHBondContact O-N 3.31Å; N705-Y708 PolarHBondContact O-N 3.27Å; N705-Y708 VanDerWaalsContact O-N 3.15Å; I706-Y708 VanDerWaalsContact C-N 3.28Å; I706-Y708 PolarHBondContact O-N 2.85Å; Y708-C710 VanDerWaalsContact C-N 3.28Å; Y708-C710 PolarHBondContact O-N 3.4Å; Y708-Q711 PolarHBondContact O-N 2.56Å; Y708-L713 HydrophobicContact CD1-CB 3.8Å; Y708-L713 HydrophobicContact CD2-CD1 4.37Å; Y708-L713 HydrophobicContact CE1-CB 3.82Å; Y708-L713 HydrophobicContact CE2-CD1 4.25Å; Y708-L713 HydrophobicContact CG-CB 4.2Å
709S87.3Confident84.9Confident23 Ų2334.9 Ų34.916%0.16118%0.183CC..Hα-helixtrans-59.2-38.8179-53.20000112.4G614 N705 I706 Q711G614-S709 WeakPolarHBondContact CA-OG 3.42Å; G614-S709 PolarHBondContact O-OG 3.34Å; N705-S709 PolarHBondContact O-N 2.85Å; N705-S709 PolarHBondContact O-OG 3Å; N705-S709 VanDerWaalsContact O-OG 3.08Å; I706-S709 PolarHBondContact O-N 2.68Å; S709-Q711 VanDerWaalsContact C-N 3.25Å; S709-Q711 PolarHBondContact O-N 3.13Å
710C88.9Confident85.2Confident2 Ų234.5 Ų34.51%0.01418%0.183CC..THydrogen-bonded Turntrans-77-4.4177.8-760000114.2I682 I706 Y708 L712I682-C710 HydrophobicContact CD1-CB 3.69Å; I706-C710 WeakPolarHBondContact O-CB 3.34Å; I706-C710 PolarHBondContact O-N 3.18Å; I706-C710 PolarHBondContact O-SG 2.53Å; I706-C710 VanDerWaalsContact O-SG 3.41Å; Y708-C710 VanDerWaalsContact C-N 3.28Å; Y708-C710 PolarHBondContact O-N 3.4Å; C710-L712 PolarHBondContact O-N 3.39Å
711Q86Confident85.3Confident96 Ų9635.5 Ų35.545%0.44919%0.192SC..THydrogen-bonded Turntrans57.621.5-170.8-56.9-179.8-11.100114.2P679 M686 Y708 S709P679-Q711 HydrophobicContact CB-CG 4.26Å; M686-Q711 WeakPolarHBondContact CE-O 3.02Å; Y708-Q711 PolarHBondContact O-N 2.56Å; S709-Q711 VanDerWaalsContact C-N 3.25Å; S709-Q711 PolarHBondContact O-N 3.13Å
712L88.3Confident85.5Confident3 Ų333.2 Ų33.22%0.01618%0.181CC..SBendtrans-71.1-43.5170.2-176.767.5000109.5I682 M686 I692 V694 G707 C710 I783I682-L712 HydrophobicContact CG2-CB 4.5Å; I682-L712 HydrophobicContact CG2-CD1 4.4Å; M686-L712 HydrophobicContact SD-CD1 4.26Å; I692-L712 HydrophobicContact CB-CD1 4.01Å; I692-L712 HydrophobicContact CG2-CD1 4.41Å; V694-L712 HydrophobicContact CG2-CD2 3.56Å; G707-L712 PolarHBondContact O-N 3.16Å; C710-L712 PolarHBondContact O-N 3.39Å; L712-I783 HydrophobicContact CD2-CD1 4.36Å; L712-I783 HydrophobicContact CD2-CG1 4.29Å
713L87.4Confident85.7Confident4 Ų437 Ų372%0.02120%0.201CC..SBendtrans-96.1132.4171-56.2-179.5000109.2I704 G707 Y708 L719 A752 I783I704-L713 HydrophobicContact CG2-CD1 4.24Å; G707-L713 PolarHBondContact O-N 2.97Å; Y708-L713 HydrophobicContact CD1-CB 3.8Å; Y708-L713 HydrophobicContact CD2-CD1 4.37Å; Y708-L713 HydrophobicContact CE1-CB 3.82Å; Y708-L713 HydrophobicContact CE2-CD1 4.25Å; Y708-L713 HydrophobicContact CG-CB 4.2Å; L713-L719 HydrophobicContact CD1-CD2 4.04Å; L713-L719 HydrophobicContact CD2-CD2 3.84Å; L713-L719 HydrophobicContact CG-CD2 4.44Å; L713-A752 HydrophobicContact CD2-CB 3.41Å; L713-A752 VanDerWaalsContact CD2-CB 3.41Å; L713-I783 HydrophobicContact CD1-CD1 3.79Å; L713-I783 HydrophobicContact CD2-CD1 4.08Å; L713-I783 HydrophobicContact CG-CD1 4.03Å
714T81.6Confident85.7Confident51 Ų5137 Ų3731%0.31320%0.201SC..  trans-126.7156.5173.752.80000108.6S716 I717T714-S716 PolarHBondContact O-N 3.38Å; T714-S716 PolarHBondContact OG1-OG 2.81Å; T714-I717 PolarHBondContact O-N 3.45Å; T714-I717 VanDerWaalsContact OG1-CD1 3.31Å; T714-I717 WeakPolarHBondContact OG1-CD1 3.35Å; T714-I717 WeakPolarHBondContact OG1-CG1 3.37Å
715Q74.9Confident85.6Confident138 Ų13844.2 Ų44.265%0.64523%0.231SC*.THydrogen-bonded Turntrans-60-19.7-179.4-64.2176.4200113.7I717Q715-I717 VanDerWaalsContact C-N 3.35Å
716S76.3Confident85.7Confident84 Ų8445.7 Ų45.759%0.58724%0.242SC*.THydrogen-bonded Turntrans-74.9-22174.144.50000113.9T714T714-S716 PolarHBondContact O-N 3.38Å; T714-S716 PolarHBondContact OG1-OG 2.81Å
717I79.8Confident85.7Confident9 Ų947.5 Ų47.55%0.04625%0.252CS..SBendtrans-88.3127.2-177.5-63.6170000108.7T714 Q715 D750 A752 K780T714-I717 PolarHBondContact O-N 3.45Å; T714-I717 VanDerWaalsContact OG1-CD1 3.31Å; T714-I717 WeakPolarHBondContact OG1-CD1 3.35Å; T714-I717 WeakPolarHBondContact OG1-CG1 3.37Å; Q715-I717 VanDerWaalsContact C-N 3.35Å; I717-D750 WeakPolarHBondContact CA-O 3.08Å; I717-D750 HydrophobicContact CG1-CB 4.48Å; I717-A752 HydrophobicContact CG2-CB 3.68Å; I717-K780 HydrophobicContact CD1-CD 4.24Å
718S83.6Confident85.7Confident29 Ų2953.1 Ų53.120%0.20328%0.281CS..EExtended strand (participates in β ladder)trans-81.2134.9173.8-63.10000110D750 F751 A752S718-D750 PolarHBondContact N-O 3.32Å; S718-F751 WeakPolarHBondContact O-CA 3.21Å; S718-A752 PolarHBondContact O-N 2.94Å
719L86Confident85.8Confident62 Ų6254.6 Ų54.633%0.32529%0.29SS..EExtended strand (participates in β ladder)trans-88.7129.3178.7-55-177.4000110.4L713 A752 I754L713-L719 HydrophobicContact CD1-CD2 4.04Å; L713-L719 HydrophobicContact CD2-CD2 3.84Å; L713-L719 HydrophobicContact CG-CD2 4.44Å; L719-A752 HydrophobicContact CD2-CB 3.88Å; L719-I754 HydrophobicContact CB-CD1 4.09Å; L719-I754 HydrophobicContact CD1-CD1 4.06Å; L719-I754 HydrophobicContact CD2-CD1 4.24Å; L719-I754 HydrophobicContact CG-CD1 4.35Å
720L87.9Confident85.8Confident33 Ų3353.5 Ų53.517%0.17328%0.283CS..EExtended strand (participates in β ladder)trans-108.4108.8172.4-60.9174000107.8L737 F741 F751 A752 L753 I754L720-L737 HydrophobicContact CD1-CD2 4.37Å; L720-L737 HydrophobicContact CD2-CD2 3.99Å; L720-F741 HydrophobicContact CD1-CE2 3.99Å; L720-F741 HydrophobicContact CD1-CZ 3.73Å; L720-F751 HydrophobicContact CD1-CB 3.98Å; L720-F751 HydrophobicContact CD1-CD1 4.19Å; L720-F751 HydrophobicContact CD1-CG 4.24Å; L720-F751 HydrophobicContact CD2-CD1 4.37Å; L720-F751 HydrophobicContact CG-CB 4.44Å; L720-F751 HydrophobicContact CG-CD1 4.22Å; L720-A752 PolarHBondContact N-O 3.49Å; L720-L753 HydrophobicContact CB-CD1 4.11Å; L720-L753 CarbonylContact O-C 3.52Å; L720-L753 WeakPolarHBondContact O-CA 3.33Å; L720-I754 PolarHBondContact O-N 3.36Å
721T88Confident85.8Confident56 Ų5659.1 Ų59.134%0.34430%0.303SS..EExtended strand (participates in β ladder)trans-104.1127.8-177.1-58.50000110.9I754T721-I754 WeakPolarHBondContact CA-O 3.37Å
722M87.3Confident86Confident1 Ų160.5 Ų60.51%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-118.5101.9177.6-69.4-174.170.100111T730 Q733 L734 L737 L753 I754 D756 T759M722-T730 HydrophobicContact CE-CG2 4.15Å; M722-Q733 HydrophobicContact CE-CB 4.41Å; M722-L734 HydrophobicContact CE-CD1 4.49Å; M722-L734 HydrophobicContact CE-CD2 3.59Å; M722-L734 HydrophobicContact CE-CG 3.67Å; M722-L734 HydrophobicContact SD-CD2 3.9Å; M722-L737 HydrophobicContact CG-CD1 4.29Å; M722-L737 HydrophobicContact SD-CD1 4.03Å; M722-L753 HydrophobicContact CG-CD1 4.2Å; M722-L753 HydrophobicContact SD-CD1 3.98Å; M722-I754 PolarHBondContact N-O 2.85Å; M722-D756 PolarHBondContact O-N 3.44Å; M722-T759 HydrophobicContact CB-CG2 4.05Å; M722-T759 HydrophobicContact CE-CG2 4.26Å; M722-T759 PolarHBondContact O-OG1 2.88Å
723N86.6Confident86Confident81 Ų8163.9 Ų63.943%0.43333%0.326SS..  trans-126.169.9179.9-68.4-9.7000110.1Q700Q700-N723 PolarHBondContact OE1-ND2 3.14Å; Q700-N723 PolarHBondContact OE1-OD1 3.21Å
724T87Confident86Confident3 Ų363.7 Ų63.72%0.01833%0.325CS..  trans-96.5147.7-179.757.70000112Q729 T730 Q733 T759T724-Q729 HydrophobicContact CG2-CB 3.99Å; T724-T730 WeakPolarHBondContact CB-OG1 2.96Å; T724-T730 PolarHBondContact OG1-OG1 3Å; T724-Q733 VanDerWaalsContact CG2-CD 3.43Å; T724-Q733 HydrophobicContact CG2-CG 4.26Å; T724-T759 PolarHBondContact N-OG1 2.94Å; T724-T759 PolarHBondContact O-OG1 3.14Å; T724-T759 WeakPolarHBondContact OG1-CG2 3.2Å; T724-T759 PolarHBondContact OG1-OG1 3.44Å
725K86.2Confident86.3Confident174 Ų17463.5 Ų63.576%0.75732%0.323SS*.SBendtrans-101.6-12.3178.8-64.6-176.2179-178.90113.6
726S89.4Confident86.9Confident40 Ų4059.5 Ų59.528%0.2831%0.306SS..SBendtrans-135.8158.7-178.7710000112.4Q729 T730S726-Q729 VanDerWaalsContact OG-CG 3.25Å; S726-Q729 WeakPolarHBondContact OG-CG 3.31Å; S726-Q729 PolarHBondContact OG-N 3.06Å; S726-T730 PolarHBondContact O-N 3.32Å; S726-T730 VanDerWaalsContact O-N 3.12Å; S726-T730 PolarHBondContact O-OG1 3.5Å
727L89Confident87.3Confident44 Ų4456.7 Ų56.723%0.2329%0.285CS..Hα-helixtrans-60.9-45.8178-177143.6000112.2Q729 T730 R731 F762 L765L727-Q729 PolarHBondContact O-N 3.26Å; L727-T730 WeakPolarHBondContact O-CB 3.24Å; L727-T730 PolarHBondContact O-N 3Å; L727-T730 VanDerWaalsContact O-N 3.12Å; L727-R731 PolarHBondContact O-N 3.3Å; L727-F762 HydrophobicContact CB-CD1 4.18Å; L727-F762 HydrophobicContact CB-CG 4.47Å; L727-L765 HydrophobicContact CD1-CD1 3.57Å
728D89.9Confident87.6Confident120 Ų12058.1 Ų58.164%0.64229%0.292SS*.Hα-helixtrans-62.2-42.5-178.5-62.8-38.1000112.1T730 R731 E732D728-T730 VanDerWaalsContact C-N 3.31Å; D728-T730 PolarHBondContact O-N 3.29Å; D728-R731 PolarHBondContact O-N 3.39Å; D728-E732 WeakPolarHBondContact O-CB 3.44Å; D728-E732 PolarHBondContact O-N 2.91Å
729Q90Very high87.6Confident94 Ų9463.4 Ų63.444%0.43931%0.313SS..Hα-helixtrans-62.3-40.8174.8-73.1174.72.400111.6T724 S726 L727 R731 E732 Q733T724-Q729 HydrophobicContact CG2-CB 3.99Å; S726-Q729 VanDerWaalsContact OG-CG 3.25Å; S726-Q729 WeakPolarHBondContact OG-CG 3.31Å; S726-Q729 PolarHBondContact OG-N 3.06Å; L727-Q729 PolarHBondContact O-N 3.26Å; Q729-R731 VanDerWaalsContact C-N 3.34Å; Q729-E732 PolarHBondContact O-N 3.48Å; Q729-Q733 WeakPolarHBondContact O-CB 3.29Å; Q729-Q733 WeakPolarHBondContact O-CG 3.36Å; Q729-Q733 PolarHBondContact O-N 3.12Å
730T88.1Confident87.4Confident0 Ų064.3 Ų64.30%032%0.319CS..Hα-helixtrans-62.2-44.8178.1-49.50000110.7M722 T724 S726 L727 D728 L734 T759 F762 A763M722-T730 HydrophobicContact CE-CG2 4.15Å; T724-T730 WeakPolarHBondContact CB-OG1 2.96Å; T724-T730 PolarHBondContact OG1-OG1 3Å; S726-T730 PolarHBondContact O-N 3.32Å; S726-T730 VanDerWaalsContact O-N 3.12Å; S726-T730 PolarHBondContact O-OG1 3.5Å; L727-T730 WeakPolarHBondContact O-CB 3.24Å; L727-T730 PolarHBondContact O-N 3Å; L727-T730 VanDerWaalsContact O-N 3.12Å; D728-T730 VanDerWaalsContact C-N 3.31Å; D728-T730 PolarHBondContact O-N 3.29Å; T730-L734 HydrophobicContact CG2-CD1 4.23Å; T730-L734 WeakPolarHBondContact O-CB 3.3Å; T730-L734 VanDerWaalsContact O-CG 3.28Å; T730-L734 WeakPolarHBondContact O-CG 3.35Å; T730-L734 PolarHBondContact O-N 2.94Å; T730-T759 HydrophobicContact CG2-CG2 3.99Å; T730-F762 HydrophobicContact CG2-CB 4.37Å; T730-A763 HydrophobicContact CG2-CB 4.33Å
731R89.3Confident87Confident119 Ų11963.4 Ų63.445%0.44931%0.313SS..Hα-helixtrans-63.9-47.5178.3-174.6179.6-179.8163.80.6112L727 D728 Q729 Q733 L734 V735L727-R731 PolarHBondContact O-N 3.3Å; D728-R731 PolarHBondContact O-N 3.39Å; Q729-R731 VanDerWaalsContact C-N 3.34Å; R731-Q733 PolarHBondContact O-N 3.31Å; R731-L734 PolarHBondContact O-N 3.3Å; R731-V735 WeakPolarHBondContact O-CG2 3.41Å; R731-V735 PolarHBondContact O-N 2.93Å
732E89.7Confident86.4Confident125 Ų12562.5 Ų62.558%0.58432%0.315SS*.Hα-helixtrans-60.3-46.1178.9-172.3-180-178.300111.2D728 Q729 L734 V735 N736D728-E732 WeakPolarHBondContact O-CB 3.44Å; D728-E732 PolarHBondContact O-N 2.91Å; Q729-E732 PolarHBondContact O-N 3.48Å; E732-L734 PolarHBondContact O-N 3.13Å; E732-V735 PolarHBondContact O-N 3.44Å; E732-N736 WeakPolarHBondContact O-CB 3.46Å; E732-N736 PolarHBondContact O-N 2.96Å; E732-N736 PolarHBondContact O-ND2 3.17Å; E732-N736 PolarHBondContact O-OD1 3.4Å
733Q87.7Confident85.7Confident75 Ų7570.5 Ų70.535%0.3536%0.358SS..Hα-helixtrans-61.9-41.8175.8-74.8-170.2-7.100112.8M722 T724 Q729 R731 N736 L737M722-Q733 HydrophobicContact CE-CB 4.41Å; T724-Q733 VanDerWaalsContact CG2-CD 3.43Å; T724-Q733 HydrophobicContact CG2-CG 4.26Å; Q729-Q733 WeakPolarHBondContact O-CB 3.29Å; Q729-Q733 WeakPolarHBondContact O-CG 3.36Å; Q729-Q733 PolarHBondContact O-N 3.12Å; R731-Q733 PolarHBondContact O-N 3.31Å; Q733-N736 PolarHBondContact O-N 3.46Å; Q733-L737 WeakPolarHBondContact O-CB 3.42Å; Q733-L737 VanDerWaalsContact O-CG 3.28Å; Q733-L737 WeakPolarHBondContact O-CG 3.07Å; Q733-L737 PolarHBondContact O-N 3.39Å
734L88.2Confident84.7Confident0 Ų070 Ų700%035%0.35CS..Hα-helixtrans-63.8-42.7177.1-75.8172.8000112.1M722 T730 R731 E732 L737 I738 C768 Q771 F772 V775M722-L734 HydrophobicContact CE-CD1 4.49Å; M722-L734 HydrophobicContact CE-CD2 3.59Å; M722-L734 HydrophobicContact CE-CG 3.67Å; M722-L734 HydrophobicContact SD-CD2 3.9Å; T730-L734 HydrophobicContact CG2-CD1 4.23Å; T730-L734 WeakPolarHBondContact O-CB 3.3Å; T730-L734 VanDerWaalsContact O-CG 3.28Å; T730-L734 WeakPolarHBondContact O-CG 3.35Å; T730-L734 PolarHBondContact O-N 2.94Å; R731-L734 PolarHBondContact O-N 3.3Å; E732-L734 PolarHBondContact O-N 3.13Å; L734-L737 PolarHBondContact O-N 2.94Å; L734-I738 WeakPolarHBondContact O-CB 3.46Å; L734-I738 WeakPolarHBondContact O-CD1 3.36Å; L734-I738 WeakPolarHBondContact O-CG1 3.09Å; L734-I738 PolarHBondContact O-N 2.95Å; L734-C768 HydrophobicContact CD1-CB 3.92Å; L734-Q771 HydrophobicContact CB-CB 4.3Å; L734-Q771 HydrophobicContact CD1-CB 4.34Å; L734-F772 HydrophobicContact CD1-CB 4.09Å; L734-F772 HydrophobicContact CD2-CB 4.33Å; L734-F772 HydrophobicContact CD2-CD2 4.38Å; L734-V775 HydrophobicContact CD2-CB 4.49Å; L734-V775 HydrophobicContact CD2-CG2 4.18Å
735V88.2Confident83.7Confident46 Ų4672.4 Ų72.428%0.27936%0.362SS..Hα-helixtrans-63-46.2176.8171.70000110.5R731 E732 L737 I738 E739R731-V735 WeakPolarHBondContact O-CG2 3.41Å; R731-V735 PolarHBondContact O-N 2.93Å; E732-V735 PolarHBondContact O-N 3.44Å; V735-L737 VanDerWaalsContact C-N 3.34Å; V735-L737 PolarHBondContact O-N 3.42Å; V735-I738 WeakPolarHBondContact O-CB 3.47Å; V735-I738 PolarHBondContact O-N 3.45Å; V735-I738 VanDerWaalsContact O-N 3.17Å; V735-E739 WeakPolarHBondContact O-CG 3.47Å; V735-E739 PolarHBondContact O-N 3.33Å
736N87.5Confident82.8Confident54 Ų5472.2 Ų72.229%0.28936%0.357SS..Hα-helixtrans-59.8-43.6177.3-66.4-15.6000111.7E732 Q733 I738 E739 D740E732-N736 WeakPolarHBondContact O-CB 3.46Å; E732-N736 PolarHBondContact O-N 2.96Å; E732-N736 PolarHBondContact O-ND2 3.17Å; E732-N736 PolarHBondContact O-OD1 3.4Å; Q733-N736 PolarHBondContact O-N 3.46Å; N736-I738 VanDerWaalsContact C-N 3.35Å; N736-I738 PolarHBondContact O-N 3.32Å; N736-E739 PolarHBondContact O-N 3.45Å; N736-D740 WeakPolarHBondContact O-CB 3.49Å; N736-D740 PolarHBondContact O-N 3.25Å
737L84.5Confident81.8Confident25 Ų2575.1 Ų75.113%0.13137%0.367CS..Hα-helixtrans-63.6-40.3176.6-73.5173.3000112.1L720 M722 Q733 L734 V735 D740 F741 V775L720-L737 HydrophobicContact CD1-CD2 4.37Å; L720-L737 HydrophobicContact CD2-CD2 3.99Å; M722-L737 HydrophobicContact CG-CD1 4.29Å; M722-L737 HydrophobicContact SD-CD1 4.03Å; Q733-L737 WeakPolarHBondContact O-CB 3.42Å; Q733-L737 VanDerWaalsContact O-CG 3.28Å; Q733-L737 WeakPolarHBondContact O-CG 3.07Å; Q733-L737 PolarHBondContact O-N 3.39Å; L734-L737 PolarHBondContact O-N 2.94Å; V735-L737 VanDerWaalsContact C-N 3.34Å; V735-L737 PolarHBondContact O-N 3.42Å; L737-D740 WeakPolarHBondContact O-CB 3.38Å; L737-D740 PolarHBondContact O-N 3.33Å; L737-F741 WeakPolarHBondContact O-CD2 3.46Å; L737-F741 PolarHBondContact O-N 3.47Å; L737-V775 HydrophobicContact CB-CG2 4.24Å; L737-V775 HydrophobicContact CD1-CG1 4.29Å
738I84.8Confident80.8Confident40 Ų4078.6 Ų78.621%0.20538%0.382CS..Hα-helixtrans-63-43.6176.5-74.4169000110.6L734 V735 N736 D740 F741 G742 I745 Q771 V775L734-I738 WeakPolarHBondContact O-CB 3.46Å; L734-I738 WeakPolarHBondContact O-CD1 3.36Å; L734-I738 WeakPolarHBondContact O-CG1 3.09Å; L734-I738 PolarHBondContact O-N 2.95Å; V735-I738 WeakPolarHBondContact O-CB 3.47Å; V735-I738 PolarHBondContact O-N 3.45Å; V735-I738 VanDerWaalsContact O-N 3.17Å; N736-I738 VanDerWaalsContact C-N 3.35Å; N736-I738 PolarHBondContact O-N 3.32Å; I738-D740 VanDerWaalsContact C-N 3.33Å; I738-D740 PolarHBondContact O-N 3.29Å; I738-F741 PolarHBondContact O-N 3.16Å; I738-G742 PolarHBondContact O-N 2.94Å; I738-I745 HydrophobicContact CG2-CD1 3.71Å; I738-Q771 HydrophobicContact CD1-CB 3.57Å; I738-Q771 HydrophobicContact CD1-CG 3.78Å; I738-V775 HydrophobicContact CD1-CG2 4.31Å; I738-V775 HydrophobicContact CG1-CG2 3.67Å
739E84.6Confident80Confident139 Ų13973.7 Ų73.765%0.6536%0.356SS*.Hα-helixtrans-62.2-40.4174.7-70.8-177.3-179.100111.7V735 N736 F741 G742V735-E739 WeakPolarHBondContact O-CG 3.47Å; V735-E739 PolarHBondContact O-N 3.33Å; N736-E739 PolarHBondContact O-N 3.45Å; E739-F741 PolarHBondContact O-N 3.17Å; E739-G742 PolarHBondContact O-N 2.98Å
740D81.6Confident79.5Confident81 Ų8173 Ų7343%0.43336%0.355SS..Hα-helixtrans-65-35.4176-78.4-20.6000113.3N736 L737 I738 M1128N736-D740 WeakPolarHBondContact O-CB 3.49Å; N736-D740 PolarHBondContact O-N 3.25Å; L737-D740 WeakPolarHBondContact O-CB 3.38Å; L737-D740 PolarHBondContact O-N 3.33Å; I738-D740 VanDerWaalsContact C-N 3.33Å; I738-D740 PolarHBondContact O-N 3.29Å; D740-M1128 HydrophobicContact CB-CE 3.75Å
741F79.4Confident79.5Confident15 Ų1573.9 Ų73.97%0.06636%0.359CS..Hα-helixtrans-72.4-33.6174.5-82.2-69.2000112.4L720 L737 I738 E739 D743 R744 I745 N749 F751 V775L720-F741 HydrophobicContact CD1-CE2 3.99Å; L720-F741 HydrophobicContact CD1-CZ 3.73Å; L737-F741 WeakPolarHBondContact O-CD2 3.46Å; L737-F741 PolarHBondContact O-N 3.47Å; I738-F741 PolarHBondContact O-N 3.16Å; E739-F741 PolarHBondContact O-N 3.17Å; F741-D743 PolarHBondContact O-N 3.42Å; F741-R744 WeakPolarHBondContact O-CB 3.45Å; F741-R744 PolarHBondContact O-N 3.23Å; F741-I745 HydrophobicContact CB-CG1 3.76Å; F741-N749 HydrophobicContact CE1-CB 4.4Å; F741-F751 AromaticContact CE1-CD2 3.55Å; F741-F751 HydrophobicContact CE1-CD2 3.55Å; F741-F751 AromaticContact CE1-CE2 3.81Å; F741-F751 HydrophobicContact CE1-CE2 3.81Å; F741-F751 HydrophobicContact CE1-CG 4.25Å; F741-F751 HydrophobicContact CZ-CB 4.47Å; F741-F751 HydrophobicContact CZ-CD2 4.04Å; F741-F751 HydrophobicContact CZ-CG 4.29Å; F741-V775 HydrophobicContact CE2-CG1 4.15Å
742G75.5Confident79.6Confident37 Ų3768.2 Ų68.238%0.38134%0.338SS..G310 helixtrans51.9-125.4-179.300000112.5I738 E739 R744 I745I738-G742 PolarHBondContact O-N 2.94Å; E739-G742 PolarHBondContact O-N 2.98Å; G742-R744 PolarHBondContact O-N 3.3Å; G742-R744 VanDerWaalsContact O-N 3.12Å; G742-I745 VanDerWaalsContact O-CD1 3.25Å; G742-I745 WeakPolarHBondContact O-CD1 3.44Å; G742-I745 VanDerWaalsContact O-CG1 3.27Å; G742-I745 WeakPolarHBondContact O-CG1 3.45Å
743D72.5Confident79.7Confident168 Ų16862.3 Ų62.390%0.89831%0.31SS*.G310 helixtrans-68.3-8179.8-64.3-31.2000114.5F741 I745F741-D743 PolarHBondContact O-N 3.42Å; D743-I745 VanDerWaalsContact C-N 3.31Å
744R66Low79.9Confident71 Ų7158.7 Ų58.727%0.26829%0.293SS..G310 helixtrans-89.96.5-177.3-57-175.7-177173.16113.9F741 G742 R746 M747 N749 F1124F741-R744 WeakPolarHBondContact O-CB 3.45Å; F741-R744 PolarHBondContact O-N 3.23Å; G742-R744 PolarHBondContact O-N 3.3Å; G742-R744 VanDerWaalsContact O-N 3.12Å; R744-R746 PolarHBondContact O-N 3.27Å; R744-M747 WeakPolarHBondContact O-CB 3.44Å; R744-M747 PolarHBondContact O-N 2.85Å; R744-M747 VanDerWaalsContact O-N 3.13Å; R744-N749 PolarHBondContact O-ND2 3.1Å; R744-F1124 VanDerWaalsContact NH2-CB 3.3Å
745I66.2Low80.2Confident53 Ų5358.7 Ų58.727%0.27229%0.293SS..THydrogen-bonded Turntrans-59.9133.4174.4-65.8163.1000109.1I738 F741 G742 D743 M747 D774I738-I745 HydrophobicContact CG2-CD1 3.71Å; F741-I745 HydrophobicContact CB-CG1 3.76Å; G742-I745 VanDerWaalsContact O-CD1 3.25Å; G742-I745 WeakPolarHBondContact O-CD1 3.44Å; G742-I745 VanDerWaalsContact O-CG1 3.27Å; G742-I745 WeakPolarHBondContact O-CG1 3.45Å; D743-I745 VanDerWaalsContact C-N 3.31Å; I745-M747 PolarHBondContact O-N 2.64Å; I745-D774 HydrophobicContact CG2-CB 4.02Å
746R65.9Low80.3Confident171 Ų17157.7 Ų57.765%0.64529%0.286SS*.THydrogen-bonded Turntrans64.617.2-175.6-60.1169.4179.7179.54.9115.1R744 D774 S778R744-R746 PolarHBondContact O-N 3.27Å; R746-D774 IonicContact CZ-OD1 2.77Å; R746-D774 IonicContact NE-OD1 3.24Å; R746-D774 PolarHBondContact NE-OD1 3.48Å; R746-D774 IonicContact NH2-OD1 2.68Å; R746-D774 PolarHBondContact NH2-OD1 3.04Å; R746-D774 IonicContact NH2-OD2 3.58Å; R746-D774 PolarHBondContact NH2-OD2 3.24Å; R746-S778 PolarHBondContact N-OG 3.24Å
747M68.6Low80.2Confident100 Ų10055.3 Ų55.349%0.49327%0.274SS..SBendtrans-96.5149.5165-59.4-167.776.200110.6R744 I745 N749 S778R744-M747 WeakPolarHBondContact O-CB 3.44Å; R744-M747 PolarHBondContact O-N 2.85Å; R744-M747 VanDerWaalsContact O-N 3.13Å; I745-M747 PolarHBondContact O-N 2.64Å; M747-N749 PolarHBondContact O-N 3.46Å; M747-N749 PolarHBondContact O-ND2 2.95Å; M747-S778 WeakPolarHBondContact O-CA 3.28Å; M747-S778 VanDerWaalsContact O-O 3.09Å
748E68.4Low80.4Confident117 Ų11759.5 Ų59.555%0.54729%0.293SS..  trans-69.497.5172.2-69.2175.5-171.600109.5
749N72.5Confident80.7Confident17 Ų1757.6 Ų57.69%0.09128%0.284CS..EExtended strand (participates in β ladder)trans-102.6151.3177-58.6-59.7000110.9F741 R744 M747 F751 S778 K780F741-N749 HydrophobicContact CE1-CB 4.4Å; R744-N749 PolarHBondContact O-ND2 3.1Å; M747-N749 PolarHBondContact O-N 3.46Å; M747-N749 PolarHBondContact O-ND2 2.95Å; N749-F751 HydrophobicContact CB-CD2 3.52Å; N749-F751 HydrophobicContact CB-CE2 3.94Å; N749-F751 PolarHBondContact O-N 2.99Å; N749-S778 WeakPolarHBondContact CB-O 3.49Å; N749-S778 PolarHBondContact N-O 3.39Å; N749-S778 PolarHBondContact ND2-O 3.27Å; N749-K780 WeakPolarHBondContact O-CB 3.39Å; N749-K780 PolarHBondContact O-N 2.82Å
750D81.1Confident81.1Confident81 Ų8151 Ų5143%0.43325%0.253SS..EExtended strand (participates in β ladder)trans-78.753.2177.7-66.2-48.3000112I717 S718 K780I717-D750 WeakPolarHBondContact CA-O 3.08Å; I717-D750 HydrophobicContact CG1-CB 4.48Å; S718-D750 PolarHBondContact N-O 3.32Å; D750-K780 IonicContact OD1-NZ 3.13Å
751F87.4Confident81.5Confident18 Ų1852.5 Ų52.58%0.07926%0.257CS..EExtended strand (participates in β ladder)trans-115.7149.2171-62.9-85.1000110.5S718 L720 F741 N749 C779 K780 M1128S718-F751 WeakPolarHBondContact O-CA 3.21Å; L720-F751 HydrophobicContact CD1-CB 3.98Å; L720-F751 HydrophobicContact CD1-CD1 4.19Å; L720-F751 HydrophobicContact CD1-CG 4.24Å; L720-F751 HydrophobicContact CD2-CD1 4.37Å; L720-F751 HydrophobicContact CG-CB 4.44Å; L720-F751 HydrophobicContact CG-CD1 4.22Å; F741-F751 AromaticContact CE1-CD2 3.55Å; F741-F751 HydrophobicContact CE1-CD2 3.55Å; F741-F751 AromaticContact CE1-CE2 3.81Å; F741-F751 HydrophobicContact CE1-CE2 3.81Å; F741-F751 HydrophobicContact CE1-CG 4.25Å; F741-F751 HydrophobicContact CZ-CB 4.47Å; F741-F751 HydrophobicContact CZ-CD2 4.04Å; F741-F751 HydrophobicContact CZ-CG 4.29Å; N749-F751 HydrophobicContact CB-CD2 3.52Å; N749-F751 HydrophobicContact CB-CE2 3.94Å; N749-F751 PolarHBondContact O-N 2.99Å; F751-C779 WeakPolarHBondContact O-CB 3.47Å; F751-K780 PolarHBondContact O-N 3.05Å; F751-M1128 HydrophobicContact CZ-SD 4.5Å
752A90.3Very high82Confident0 Ų054.2 Ų54.20%027%0.265CS..EExtended strand (participates in β ladder)trans-116.9132.1169.700000109.9L713 I717 S718 L719 L720 S781L713-A752 HydrophobicContact CD2-CB 3.41Å; L713-A752 VanDerWaalsContact CD2-CB 3.41Å; I717-A752 HydrophobicContact CG2-CB 3.68Å; S718-A752 PolarHBondContact O-N 2.94Å; L719-A752 HydrophobicContact CD2-CB 3.88Å; L720-A752 PolarHBondContact N-O 3.49Å; A752-S781 VanDerWaalsContact CA-O 3.25Å; A752-S781 WeakPolarHBondContact CA-O 3.48Å; A752-S781 VanDerWaalsContact CB-OG 3.25Å; A752-S781 WeakPolarHBondContact CB-OG 3.34Å
753L92.5Very high82.7Confident0 Ų052.4 Ų52.40%025%0.247CC..EExtended strand (participates in β ladder)trans-97.8128.1178.2-177.567000110.1L720 M722 V755 F772 V775 A776 C779 S781 V782 I783L720-L753 HydrophobicContact CB-CD1 4.11Å; L720-L753 CarbonylContact O-C 3.52Å; L720-L753 WeakPolarHBondContact O-CA 3.33Å; M722-L753 HydrophobicContact CG-CD1 4.2Å; M722-L753 HydrophobicContact SD-CD1 3.98Å; L753-V755 HydrophobicContact CD1-CG2 4.21Å; L753-V755 HydrophobicContact CD2-CG2 3.85Å; L753-V755 HydrophobicContact CG-CG2 3.64Å; L753-F772 HydrophobicContact CD2-CE2 4.07Å; L753-V775 HydrophobicContact CD1-CG1 4.25Å; L753-V775 HydrophobicContact CD2-CG1 4.26Å; L753-A776 HydrophobicContact CD2-CB 4.04Å; L753-C779 HydrophobicContact CB-CB 4.23Å; L753-S781 PolarHBondContact N-O 3Å; L753-V782 HydrophobicContact CB-CG1 4.28Å; L753-V782 HydrophobicContact CB-CG2 4.24Å; L753-V782 HydrophobicContact CD2-CG1 4.24Å; L753-V782 HydrophobicContact CG-CG1 4.5Å; L753-V782 CarbonylContact O-C 3.57Å; L753-V782 WeakPolarHBondContact O-CA 3.43Å; L753-I783 PolarHBondContact O-N 2.98Å
754I93.3Very high83.5Confident0 Ų045.5 Ų45.50%021%0.209CC..EExtended strand (participates in β ladder)trans-115.8123.5175.6-59.5161.4000108.1Q700 I704 L719 L720 T721 M722 I783Q700-I754 HydrophobicContact CG-CG2 3.79Å; I704-I754 HydrophobicContact CD1-CD1 3.8Å; I704-I754 HydrophobicContact CG1-CD1 3.77Å; L719-I754 HydrophobicContact CB-CD1 4.09Å; L719-I754 HydrophobicContact CD1-CD1 4.06Å; L719-I754 HydrophobicContact CD2-CD1 4.24Å; L719-I754 HydrophobicContact CG-CD1 4.35Å; L720-I754 PolarHBondContact O-N 3.36Å; T721-I754 WeakPolarHBondContact CA-O 3.37Å; M722-I754 PolarHBondContact N-O 2.85Å; I754-I783 VanDerWaalsContact CA-O 3.3Å; I754-I783 WeakPolarHBondContact CA-O 3.28Å; I754-I783 HydrophobicContact CG1-CB 4.48Å
755V92.6Very high84.5Confident0 Ų046 Ų460%022%0.217CC..EExtended strand (participates in β ladder)trans-133130.7-174.2-167.60000110.1L753 T759 L760 F772 I783 C784 C785L753-V755 HydrophobicContact CD1-CG2 4.21Å; L753-V755 HydrophobicContact CD2-CG2 3.85Å; L753-V755 HydrophobicContact CG-CG2 3.64Å; V755-T759 HydrophobicContact CG1-CG2 4.03Å; V755-L760 HydrophobicContact CG1-CB 4.12Å; V755-F772 HydrophobicContact CG2-CE2 4.07Å; V755-I783 PolarHBondContact N-O 3.31Å; V755-C784 CarbonylContact O-C 3.49Å; V755-C784 WeakPolarHBondContact O-CA 3.38Å; V755-C785 PolarHBondContact O-N 3.36Å
756D90.3Very high85.2Confident24 Ų2449.2 Ų49.213%0.12824%0.243CC..EExtended strand (participates in β ladder)trans-81155.8172.8-169.625.9000112.3M722 Q758 T759 L760 C785M722-D756 PolarHBondContact O-N 3.44Å; D756-Q758 VanDerWaalsContact C-N 3.29Å; D756-Q758 PolarHBondContact O-N 3.48Å; D756-T759 PolarHBondContact O-N 2.94Å; D756-L760 WeakPolarHBondContact O-CB 3.48Å; D756-L760 PolarHBondContact O-N 3.31Å; D756-C785 CarbonylContact C-O 3.33Å
757G87.4Confident86Confident4 Ų447.1 Ų47.14%0.04124%0.24CC..Hα-helixtrans-61.7-33.1-175.200000113.8E761 C785 Q791G757-E761 PolarHBondContact O-N 2.97Å; G757-E761 VanDerWaalsContact O-N 3.1Å; G757-C785 WeakPolarHBondContact CA-O 3.41Å; G757-C785 PolarHBondContact N-O 3.47Å; G757-Q791 PolarHBondContact O-NE2 3.04Å
758Q88.2Confident86.9Confident113 Ų11342.4 Ų42.453%0.52822%0.217SC..Hα-helixtrans-69.6-46175.2-65-176.73.400111.4D756 L760 E761 F762D756-Q758 VanDerWaalsContact C-N 3.29Å; D756-Q758 PolarHBondContact O-N 3.48Å; Q758-L760 VanDerWaalsContact C-N 3.28Å; Q758-L760 PolarHBondContact O-N 3.46Å; Q758-E761 WeakPolarHBondContact O-CB 3.28Å; Q758-E761 PolarHBondContact O-N 3.49Å; Q758-F762 VanDerWaalsContact O-CD2 3.25Å; Q758-F762 WeakPolarHBondContact O-CD2 3.46Å; Q758-F762 PolarHBondContact O-N 3.45Å
759T91.4Very high87.9Confident1 Ų140.8 Ų40.81%0.00621%0.206CC..Hα-helixtrans-62.4-38.5175.2-57.40000111.4M722 T724 T730 V755 D756 E761 F762 A763M722-T759 HydrophobicContact CB-CG2 4.05Å; M722-T759 HydrophobicContact CE-CG2 4.26Å; M722-T759 PolarHBondContact O-OG1 2.88Å; T724-T759 PolarHBondContact N-OG1 2.94Å; T724-T759 PolarHBondContact O-OG1 3.14Å; T724-T759 WeakPolarHBondContact OG1-CG2 3.2Å; T724-T759 PolarHBondContact OG1-OG1 3.44Å; T730-T759 HydrophobicContact CG2-CG2 3.99Å; V755-T759 HydrophobicContact CG1-CG2 4.03Å; D756-T759 PolarHBondContact O-N 2.94Å; T759-E761 VanDerWaalsContact C-N 3.31Å; T759-E761 PolarHBondContact O-N 3.29Å; T759-F762 PolarHBondContact O-N 3.47Å; T759-A763 WeakPolarHBondContact O-CB 3.46Å; T759-A763 PolarHBondContact O-N 3.43Å
760L91.5Very high88.6Confident0 Ų047.1 Ų47.10%024%0.235CC..Hα-helixtrans-64-35.5176.6-173.364.1000112.1V755 D756 Q758 F762 A763 L764 F772 C784 V787 Q791 L795V755-L760 HydrophobicContact CG1-CB 4.12Å; D756-L760 WeakPolarHBondContact O-CB 3.48Å; D756-L760 PolarHBondContact O-N 3.31Å; Q758-L760 VanDerWaalsContact C-N 3.28Å; Q758-L760 PolarHBondContact O-N 3.46Å; L760-F762 VanDerWaalsContact C-N 3.34Å; L760-F762 PolarHBondContact O-N 2.87Å; L760-A763 PolarHBondContact O-N 3.29Å; L760-L764 HydrophobicContact CD1-CD1 4.26Å; L760-L764 HydrophobicContact CD1-CD2 4.44Å; L760-L764 HydrophobicContact CD1-CG 4.03Å; L760-L764 HydrophobicContact CD2-CD1 4.43Å; L760-L764 HydrophobicContact CG-CD1 3.88Å; L760-L764 HydrophobicContact CG-CG 4.12Å; L760-L764 WeakPolarHBondContact O-CB 3.36Å; L760-L764 WeakPolarHBondContact O-CG 3.39Å; L760-L764 PolarHBondContact O-N 2.88Å; L760-F772 HydrophobicContact CD1-CE1 4Å; L760-F772 HydrophobicContact CD1-CE2 4.37Å; L760-F772 HydrophobicContact CD1-CZ 3.69Å; L760-C784 HydrophobicContact CD2-CB 4.42Å; L760-V787 HydrophobicContact CD2-CG1 4.01Å; L760-V787 HydrophobicContact CD2-CG2 4.08Å; L760-Q791 HydrophobicContact CD2-CB 4.34Å; L760-L795 HydrophobicContact CD1-CD1 4.48Å
761E89.7Confident89Confident112 Ų11245.7 Ų45.752%0.52323%0.226SC..Hα-helixtrans-57.8-47.6174.4-170.5176.5176.900111.2G757 Q758 T759G757-E761 PolarHBondContact O-N 2.97Å; G757-E761 VanDerWaalsContact O-N 3.1Å; Q758-E761 WeakPolarHBondContact O-CB 3.28Å; Q758-E761 PolarHBondContact O-N 3.49Å; T759-E761 VanDerWaalsContact C-N 3.31Å; T759-E761 PolarHBondContact O-N 3.29Å
762F90.8Very high89.1Confident51 Ų5144.8 Ų44.822%0.22422%0.222CC..Hα-helixtrans-68-39.9176-56.7-54.8000112.4L727 T730 Q758 T759 L760 L764 L765L727-F762 HydrophobicContact CB-CD1 4.18Å; L727-F762 HydrophobicContact CB-CG 4.47Å; T730-F762 HydrophobicContact CG2-CB 4.37Å; Q758-F762 VanDerWaalsContact O-CD2 3.25Å; Q758-F762 WeakPolarHBondContact O-CD2 3.46Å; Q758-F762 PolarHBondContact O-N 3.45Å; T759-F762 PolarHBondContact O-N 3.47Å; L760-F762 VanDerWaalsContact C-N 3.34Å; L760-F762 PolarHBondContact O-N 2.87Å; F762-L764 VanDerWaalsContact C-N 3.29Å; F762-L764 PolarHBondContact O-N 3.26Å; F762-L765 HydrophobicContact CD1-CD1 4.36Å; F762-L765 WeakPolarHBondContact O-CB 3.36Å; F762-L765 PolarHBondContact O-N 3.09Å
763A89.9Confident89.1Confident0 Ų045.6 Ų45.60%023%0.226CC..Hα-helixtrans-67.2-27.8-179.700000113.3T730 T759 L760 L765 C768 R769 F772T730-A763 HydrophobicContact CG2-CB 4.33Å; T759-A763 WeakPolarHBondContact O-CB 3.46Å; T759-A763 PolarHBondContact O-N 3.43Å; L760-A763 PolarHBondContact O-N 3.29Å; A763-L765 VanDerWaalsContact C-N 3.34Å; A763-C768 CarbonylContact O-C 3.57Å; A763-R769 WeakPolarHBondContact O-CA 3.44Å; A763-R769 PolarHBondContact O-N 3.43Å; A763-F772 HydrophobicContact CB-CB 4.15Å; A763-F772 HydrophobicContact CB-CD1 4.46Å; A763-F772 HydrophobicContact CB-CD2 3.82Å; A763-F772 HydrophobicContact CB-CE2 4.36Å; A763-F772 HydrophobicContact CB-CG 3.87Å
764L88.7Confident88.9Confident23 Ų2347.2 Ų47.212%0.1224%0.235CC..THydrogen-bonded Turntrans-81-10.7177.4-72175000113.6L760 F762 Q791 Q794 L795 L798L760-L764 HydrophobicContact CD1-CD1 4.26Å; L760-L764 HydrophobicContact CD1-CD2 4.44Å; L760-L764 HydrophobicContact CD1-CG 4.03Å; L760-L764 HydrophobicContact CD2-CD1 4.43Å; L760-L764 HydrophobicContact CG-CD1 3.88Å; L760-L764 HydrophobicContact CG-CG 4.12Å; L760-L764 WeakPolarHBondContact O-CB 3.36Å; L760-L764 WeakPolarHBondContact O-CG 3.39Å; L760-L764 PolarHBondContact O-N 2.88Å; F762-L764 VanDerWaalsContact C-N 3.29Å; F762-L764 PolarHBondContact O-N 3.26Å; L764-Q791 HydrophobicContact CD1-CG 4.47Å; L764-Q794 HydrophobicContact CD1-CB 4.45Å; L764-Q794 HydrophobicContact CD1-CG 4.26Å; L764-L795 HydrophobicContact CD2-CD1 4.31Å; L764-L798 HydrophobicContact CD2-CD2 3.83Å
765L88.8Confident88.6Confident82 Ų8247.3 Ų47.343%0.42924%0.235SC..SBendtrans-66.2152.4173.5-66170.4000111L727 F762 A763 E767 C768 R769L727-L765 HydrophobicContact CD1-CD1 3.57Å; F762-L765 HydrophobicContact CD1-CD1 4.36Å; F762-L765 WeakPolarHBondContact O-CB 3.36Å; F762-L765 PolarHBondContact O-N 3.09Å; A763-L765 VanDerWaalsContact C-N 3.34Å; L765-E767 PolarHBondContact O-N 2.89Å; L765-C768 PolarHBondContact O-N 2.93Å; L765-R769 VanDerWaalsContact O-CB 3.31Å; L765-R769 WeakPolarHBondContact O-CB 3.34Å; L765-R769 PolarHBondContact O-N 2.74Å; L765-R769 VanDerWaalsContact O-N 3.09Å
766C80.3Confident88.5Confident120 Ų12047.3 Ų47.381%0.81124%0.235SC*.THydrogen-bonded Turntrans-52.5-34.4-170.8-161.80000113.7
767E82.6Confident88.4Confident127 Ų12747.3 Ų47.359%0.59324%0.235SC*.THydrogen-bonded Turntrans-72.6-38.8-175.1-59.3-177.5-179.500114.1L765L765-E767 PolarHBondContact O-N 2.89Å
768C87.7Confident88.3Confident1 Ų147.1 Ų47.11%0.00723%0.233CC..THydrogen-bonded Turntrans-100.6-11.3-175.6-660000113L734 A763 L765 E770 Q771 F772L734-C768 HydrophobicContact CD1-CB 3.92Å; A763-C768 CarbonylContact O-C 3.57Å; L765-C768 PolarHBondContact O-N 2.93Å; C768-E770 PolarHBondContact O-N 3.12Å; C768-Q771 PolarHBondContact O-N 3.12Å; C768-F772 WeakPolarHBondContact O-CB 3.38Å; C768-F772 PolarHBondContact O-N 2.67Å
769R89.1Confident88.2Confident83 Ų8341.9 Ų41.931%0.31321%0.209SC..Hα-helixtrans-55.7-44.4-171.5174.7-176.1139.3157.96.5114.5A763 L765 L773 L798A763-R769 WeakPolarHBondContact O-CA 3.44Å; A763-R769 PolarHBondContact O-N 3.43Å; L765-R769 VanDerWaalsContact O-CB 3.31Å; L765-R769 WeakPolarHBondContact O-CB 3.34Å; L765-R769 PolarHBondContact O-N 2.74Å; L765-R769 VanDerWaalsContact O-N 3.09Å; R769-L773 WeakPolarHBondContact O-CB 3.34Å; R769-L773 PolarHBondContact O-N 2.83Å; R769-L773 VanDerWaalsContact O-N 3.09Å; R769-L798 HydrophobicContact CG-CD1 3.48Å; R769-L798 VanDerWaalsContact CG-CD1 3.48Å; R769-L798 HydrophobicContact CG-CD2 3.99Å; R769-L798 HydrophobicContact CG-CG 4.4Å; R769-L798 VanDerWaalsContact CZ-CD1 3.44Å
770E87.7Confident87.9Confident149 Ų14945.5 Ų45.570%0.69623%0.225SC*.Hα-helixtrans-71.2-42.3-178.9-65.7-165.3158.100111.6C768 L773 D774C768-E770 PolarHBondContact O-N 3.12Å; E770-L773 PolarHBondContact O-N 3.06Å; E770-D774 PolarHBondContact O-N 3.47Å
771Q88.1Confident87.9Confident51 Ų5145.5 Ų45.524%0.23823%0.225CC..Hα-helixtrans-62-46.8177.1-67.1179.2-30.300111.4L734 I738 C768 L773 D774 V775L734-Q771 HydrophobicContact CB-CB 4.3Å; L734-Q771 HydrophobicContact CD1-CB 4.34Å; I738-Q771 HydrophobicContact CD1-CB 3.57Å; I738-Q771 HydrophobicContact CD1-CG 3.78Å; C768-Q771 PolarHBondContact O-N 3.12Å; Q771-L773 VanDerWaalsContact C-N 3.32Å; Q771-L773 PolarHBondContact O-N 3.21Å; Q771-D774 PolarHBondContact O-N 3.11Å; Q771-V775 WeakPolarHBondContact O-CG2 3.24Å; Q771-V775 PolarHBondContact O-N 3.38Å; Q771-V775 VanDerWaalsContact O-N 3.1Å
772F91.3Very high88Confident0 Ų040.1 Ų40.10%020%0.2CC..Hα-helixtrans-58.4-44.9175.1173.1-105.7000111.9L734 L753 V755 L760 A763 C768 D774 V775 A776 L795 L798L734-F772 HydrophobicContact CD1-CB 4.09Å; L734-F772 HydrophobicContact CD2-CB 4.33Å; L734-F772 HydrophobicContact CD2-CD2 4.38Å; L753-F772 HydrophobicContact CD2-CE2 4.07Å; V755-F772 HydrophobicContact CG2-CE2 4.07Å; L760-F772 HydrophobicContact CD1-CE1 4Å; L760-F772 HydrophobicContact CD1-CE2 4.37Å; L760-F772 HydrophobicContact CD1-CZ 3.69Å; A763-F772 HydrophobicContact CB-CB 4.15Å; A763-F772 HydrophobicContact CB-CD1 4.46Å; A763-F772 HydrophobicContact CB-CD2 3.82Å; A763-F772 HydrophobicContact CB-CE2 4.36Å; A763-F772 HydrophobicContact CB-CG 3.87Å; C768-F772 WeakPolarHBondContact O-CB 3.38Å; C768-F772 PolarHBondContact O-N 2.67Å; F772-D774 PolarHBondContact O-N 3.47Å; F772-V775 PolarHBondContact O-N 3.36Å; F772-A776 HydrophobicContact CZ-CB 4.48Å; F772-A776 VanDerWaalsContact O-CB 3.27Å; F772-A776 WeakPolarHBondContact O-CB 3.44Å; F772-A776 PolarHBondContact O-N 3.42Å; F772-L795 HydrophobicContact CE1-CD1 3.73Å; F772-L795 HydrophobicContact CZ-CD1 4.34Å; F772-L798 HydrophobicContact CD1-CD2 4.48Å
773L89.5Confident88.2Confident17 Ų1737.8 Ų37.89%0.08919%0.189CC..Hα-helixtrans-62.3-43.8178.6-179.270.2000111.6R769 E770 Q771 V775 A776 L777 V799 S802R769-L773 WeakPolarHBondContact O-CB 3.34Å; R769-L773 PolarHBondContact O-N 2.83Å; R769-L773 VanDerWaalsContact O-N 3.09Å; E770-L773 PolarHBondContact O-N 3.06Å; Q771-L773 VanDerWaalsContact C-N 3.32Å; Q771-L773 PolarHBondContact O-N 3.21Å; L773-V775 VanDerWaalsContact C-N 3.34Å; L773-V775 PolarHBondContact O-N 2.9Å; L773-A776 PolarHBondContact O-N 3.09Å; L773-L777 HydrophobicContact CD1-CD1 3.89Å; L773-L777 HydrophobicContact CD1-CD2 4.34Å; L773-L777 HydrophobicContact CD1-CG 3.9Å; L773-L777 HydrophobicContact CD2-CD1 4.28Å; L773-L777 HydrophobicContact CG-CD1 3.74Å; L773-L777 HydrophobicContact CG-CG 4.12Å; L773-L777 WeakPolarHBondContact O-CB 3.33Å; L773-L777 WeakPolarHBondContact O-CG 3.4Å; L773-L777 PolarHBondContact O-N 3.25Å; L773-V799 HydrophobicContact CD1-CG2 4.23Å; L773-S802 VanDerWaalsContact CD2-OG 3.3Å; L773-S802 WeakPolarHBondContact CD2-OG 3.45Å
774D87Confident88.5Confident34 Ų3437.8 Ų37.818%0.18219%0.189CC..Hα-helixtrans-63-40.1179.5-77.7-22.4000112.2I745 R746 E770 Q771 F772 S778I745-D774 HydrophobicContact CG2-CB 4.02Å; R746-D774 IonicContact CZ-OD1 2.77Å; R746-D774 IonicContact NE-OD1 3.24Å; R746-D774 PolarHBondContact NE-OD1 3.48Å; R746-D774 IonicContact NH2-OD1 2.68Å; R746-D774 PolarHBondContact NH2-OD1 3.04Å; R746-D774 IonicContact NH2-OD2 3.58Å; R746-D774 PolarHBondContact NH2-OD2 3.24Å; E770-D774 PolarHBondContact O-N 3.47Å; Q771-D774 PolarHBondContact O-N 3.11Å; F772-D774 PolarHBondContact O-N 3.47Å; D774-S778 WeakPolarHBondContact O-CB 3.19Å; D774-S778 PolarHBondContact O-N 3.27Å; D774-S778 PolarHBondContact O-OG 3.41Å
775V88.2Confident88.6Confident1 Ų136.7 Ų36.71%0.00618%0.183CC..Hα-helixtrans-65-48.4173.1174.10000110.9L734 L737 I738 F741 L753 Q771 F772 L773 L777 S778 C779L734-V775 HydrophobicContact CD2-CB 4.49Å; L734-V775 HydrophobicContact CD2-CG2 4.18Å; L737-V775 HydrophobicContact CB-CG2 4.24Å; L737-V775 HydrophobicContact CD1-CG1 4.29Å; I738-V775 HydrophobicContact CD1-CG2 4.31Å; I738-V775 HydrophobicContact CG1-CG2 3.67Å; F741-V775 HydrophobicContact CE2-CG1 4.15Å; L753-V775 HydrophobicContact CD1-CG1 4.25Å; L753-V775 HydrophobicContact CD2-CG1 4.26Å; Q771-V775 WeakPolarHBondContact O-CG2 3.24Å; Q771-V775 PolarHBondContact O-N 3.38Å; Q771-V775 VanDerWaalsContact O-N 3.1Å; F772-V775 PolarHBondContact O-N 3.36Å; L773-V775 VanDerWaalsContact C-N 3.34Å; L773-V775 PolarHBondContact O-N 2.9Å; V775-L777 PolarHBondContact O-N 3.25Å; V775-S778 WeakPolarHBondContact O-CB 3.5Å; V775-S778 PolarHBondContact O-N 3.37Å; V775-S778 VanDerWaalsContact O-N 3.15Å; V775-C779 PolarHBondContact O-N 3.32Å; V775-C779 PolarHBondContact O-SG 3.11Å
776A89.9Confident88.5Confident0 Ų038.5 Ų38.50%019%0.185CC..Hα-helixtrans-64-38.6-177.300000112.7W693 L753 F772 L773 S778 C779 V782W693-A776 HydrophobicContact CH2-CB 3.54Å; W693-A776 HydrophobicContact CZ2-CB 4.05Å; W693-A776 HydrophobicContact CZ3-CB 4.23Å; L753-A776 HydrophobicContact CD2-CB 4.04Å; F772-A776 HydrophobicContact CZ-CB 4.48Å; F772-A776 VanDerWaalsContact O-CB 3.27Å; F772-A776 WeakPolarHBondContact O-CB 3.44Å; F772-A776 PolarHBondContact O-N 3.42Å; L773-A776 PolarHBondContact O-N 3.09Å; A776-S778 VanDerWaalsContact C-N 3.3Å; A776-S778 PolarHBondContact O-N 2.99Å; A776-C779 PolarHBondContact O-N 3.48Å; A776-V782 HydrophobicContact CB-CG2 4.31Å
777L87.8Confident88.9Confident24 Ų2433 Ų3313%0.12615%0.148CC..Hα-helixtrans-72.9-21176.4-67.5178.1000113.6Y409 W693 L773 V775 C779 I803Y409-L777 HydrophobicContact CE1-CD2 4.02Å; W693-L777 HydrophobicContact CH2-CD2 4.5Å; W693-L777 HydrophobicContact CZ2-CD2 4.19Å; L773-L777 HydrophobicContact CD1-CD1 3.89Å; L773-L777 HydrophobicContact CD1-CD2 4.34Å; L773-L777 HydrophobicContact CD1-CG 3.9Å; L773-L777 HydrophobicContact CD2-CD1 4.28Å; L773-L777 HydrophobicContact CG-CD1 3.74Å; L773-L777 HydrophobicContact CG-CG 4.12Å; L773-L777 WeakPolarHBondContact O-CB 3.33Å; L773-L777 WeakPolarHBondContact O-CG 3.4Å; L773-L777 PolarHBondContact O-N 3.25Å; V775-L777 PolarHBondContact O-N 3.25Å; L777-C779 VanDerWaalsContact C-N 3.32Å; L777-I803 HydrophobicContact CD1-CD1 3.72Å; L777-I803 HydrophobicContact CD1-CG1 4.18Å; L777-I803 HydrophobicContact CD2-CD1 3.45Å; L777-I803 VanDerWaalsContact CD2-CD1 3.45Å; L777-I803 HydrophobicContact CG-CD1 4.23Å
778S85.8Confident89.1Confident0 Ų029.2 Ų29.20%014%0.135CC..Hα-helixtrans-80.5-17.2175.7-56.70000112.5R746 M747 N749 D774 V775 A776R746-S778 PolarHBondContact N-OG 3.24Å; M747-S778 WeakPolarHBondContact O-CA 3.28Å; M747-S778 VanDerWaalsContact O-O 3.09Å; N749-S778 WeakPolarHBondContact CB-O 3.49Å; N749-S778 PolarHBondContact N-O 3.39Å; N749-S778 PolarHBondContact ND2-O 3.27Å; D774-S778 WeakPolarHBondContact O-CB 3.19Å; D774-S778 PolarHBondContact O-N 3.27Å; D774-S778 PolarHBondContact O-OG 3.41Å; V775-S778 WeakPolarHBondContact O-CB 3.5Å; V775-S778 PolarHBondContact O-N 3.37Å; V775-S778 VanDerWaalsContact O-N 3.15Å; A776-S778 VanDerWaalsContact C-N 3.3Å; A776-S778 PolarHBondContact O-N 2.99Å
779C86.5Confident88.9Confident4 Ų430.3 Ų30.33%0.02714%0.142CC..EExtended strand (participates in β ladder)trans-87.5145.9178.1-630000111.1F751 L753 V775 A776 L777 V782F751-C779 WeakPolarHBondContact O-CB 3.47Å; L753-C779 HydrophobicContact CB-CB 4.23Å; V775-C779 PolarHBondContact O-N 3.32Å; V775-C779 PolarHBondContact O-SG 3.11Å; A776-C779 PolarHBondContact O-N 3.48Å; L777-C779 VanDerWaalsContact C-N 3.32Å; C779-V782 HydrophobicContact CB-CG2 4.33Å
780K85.5Confident88.7Confident76 Ų7633.3 Ų33.333%0.3315%0.154SC..EExtended strand (participates in β ladder)trans-71.9-38.8177.8-174.5175.8-175.6175.90112.2I717 N749 D750 F751I717-K780 HydrophobicContact CD1-CD 4.24Å; N749-K780 WeakPolarHBondContact O-CB 3.39Å; N749-K780 PolarHBondContact O-N 2.82Å; D750-K780 IonicContact OD1-NZ 3.13Å; F751-K780 PolarHBondContact O-N 3.05Å
781S90Very high88.8Confident0 Ų026.9 Ų26.90%012%0.123CC..EExtended strand (participates in β ladder)trans-135.8145.7178.657.20000110.3A752 L753A752-S781 VanDerWaalsContact CA-O 3.25Å; A752-S781 WeakPolarHBondContact CA-O 3.48Å; A752-S781 VanDerWaalsContact CB-OG 3.25Å; A752-S781 WeakPolarHBondContact CB-OG 3.34Å; L753-S781 PolarHBondContact N-O 3Å
782V93.6Very high88.9Confident0 Ų024.5 Ų24.50%011%0.112CC..EExtended strand (participates in β ladder)trans-127.8130.5176.9-177.90000108.3W693 V694 L753 A776 C779W693-V782 CarbonylContact C-O 3.55Å; W693-V782 WeakPolarHBondContact CA-O 3.45Å; W693-V782 HydrophobicContact CB-CB 4.32Å; W693-V782 HydrophobicContact CD2-CB 3.67Å; W693-V782 HydrophobicContact CD2-CG1 4.35Å; W693-V782 HydrophobicContact CD2-CG2 3.78Å; W693-V782 HydrophobicContact CE3-CB 4Å; W693-V782 HydrophobicContact CE3-CG1 4.17Å; W693-V782 HydrophobicContact CE3-CG2 4.24Å; W693-V782 HydrophobicContact CG-CB 3.79Å; W693-V782 HydrophobicContact CG-CG2 4.18Å; W693-V782 HydrophobicContact CH2-CG2 4.34Å; W693-V782 HydrophobicContact CZ2-CG2 3.84Å; V694-V782 PolarHBondContact N-O 3.43Å; L753-V782 HydrophobicContact CB-CG1 4.28Å; L753-V782 HydrophobicContact CB-CG2 4.24Å; L753-V782 HydrophobicContact CD2-CG1 4.24Å; L753-V782 HydrophobicContact CG-CG1 4.5Å; L753-V782 CarbonylContact O-C 3.57Å; L753-V782 WeakPolarHBondContact O-CA 3.43Å; A776-V782 HydrophobicContact CB-CG2 4.31Å; C779-V782 HydrophobicContact CB-CG2 4.33Å
783I94.9Very high88.9Confident1 Ų125 Ų251%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-120.7112.5177.8-57.6178.6000107.4V694 A703 L712 L713 L753 I754 V755V694-I783 HydrophobicContact CB-CG1 4.4Å; V694-I783 CarbonylContact O-C 3.56Å; V694-I783 WeakPolarHBondContact O-CA 3.42Å; A703-I783 HydrophobicContact CB-CG2 3.73Å; L712-I783 HydrophobicContact CD2-CD1 4.36Å; L712-I783 HydrophobicContact CD2-CG1 4.29Å; L713-I783 HydrophobicContact CD1-CD1 3.79Å; L713-I783 HydrophobicContact CD2-CD1 4.08Å; L713-I783 HydrophobicContact CG-CD1 4.03Å; L753-I783 PolarHBondContact O-N 2.98Å; I754-I783 VanDerWaalsContact CA-O 3.3Å; I754-I783 WeakPolarHBondContact CA-O 3.28Å; I754-I783 HydrophobicContact CG1-CB 4.48Å; V755-I783 PolarHBondContact N-O 3.31Å
784C94.5Very high88.9Confident0 Ų027 Ų270%013%0.125CC..EExtended strand (participates in β ladder)trans-103.3126.7174.3-57.50000109V694 L695 T696 V755 L760 V787V694-C784 PolarHBondContact O-N 3.19Å; L695-C784 HydrophobicContact CD2-CB 3.75Å; T696-C784 PolarHBondContact N-O 2.99Å; V755-C784 CarbonylContact O-C 3.49Å; V755-C784 WeakPolarHBondContact O-CA 3.38Å; L760-C784 HydrophobicContact CD2-CB 4.42Å; C784-V787 HydrophobicContact CB-CG2 3.38Å
785C91.7Very high89.2Confident0 Ų025.3 Ų25.30%012%0.116CC..EExtended strand (participates in β ladder)trans-108.7155.5-174.3-480000110.3T696 Q700 V755 D756 G757 V787T696-C785 CarbonylContact O-C 3.59Å; Q700-C785 HydrophobicContact CB-CB 4.14Å; V755-C785 PolarHBondContact O-N 3.36Å; D756-C785 CarbonylContact C-O 3.33Å; G757-C785 WeakPolarHBondContact CA-O 3.41Å; G757-C785 PolarHBondContact N-O 3.47Å; C785-V787 WeakPolarHBondContact O-CG2 3.39Å; C785-V787 PolarHBondContact O-N 3.45Å; C785-V787 VanDerWaalsContact O-N 3.11Å
786R87.7Confident89.4Confident121 Ų12125.3 Ų25.346%0.45712%0.116SC..SBendtrans47.937.6-178.5-58.9-176173-179.9-0.1114.2T696 D698T696-R786 PolarHBondContact O-N 2.84Å; D698-R786 PolarHBondContact O-N 3.02Å
787V88.7Confident89.5Confident5 Ų529.3 Ų29.33%0.0313%0.133CC..  trans-85.5126.4-175.9-173.30000110.4T696 L760 C784 C785 Q791 K792T696-V787 PolarHBondContact O-N 3.36Å; L760-V787 HydrophobicContact CD2-CG1 4.01Å; L760-V787 HydrophobicContact CD2-CG2 4.08Å; C784-V787 HydrophobicContact CB-CG2 3.38Å; C785-V787 WeakPolarHBondContact O-CG2 3.39Å; C785-V787 PolarHBondContact O-N 3.45Å; C785-V787 VanDerWaalsContact O-N 3.11Å; V787-Q791 HydrophobicContact CG1-CB 3.48Å; V787-Q791 VanDerWaalsContact CG1-CB 3.48Å; V787-K792 HydrophobicContact CB-CG 4.21Å; V787-K792 HydrophobicContact CG1-CB 4.42Å; V787-K792 HydrophobicContact CG1-CG 3.61Å
788S85.6Confident89.7Confident46 Ų4628.4 Ų28.432%0.32213%0.128SC..  trans-70153.6173.765.40000112.3W790 Q791 K792S788-W790 PolarHBondContact O-N 3.08Å; S788-W790 VanDerWaalsContact O-N 3.09Å; S788-Q791 WeakPolarHBondContact O-CB 3.39Å; S788-Q791 PolarHBondContact O-N 3.48Å; S788-Q791 VanDerWaalsContact OG-CG 3.23Å; S788-Q791 WeakPolarHBondContact OG-CG 3.49Å; S788-Q791 PolarHBondContact OG-N 3.44Å; S788-Q791 PolarHBondContact OG-OE1 3.34Å; S788-Q791 VanDerWaalsContact OG-OE1 3.08Å; S788-K792 PolarHBondContact O-N 3.19Å
789P84.2Confident90Very high25 Ų2528.4 Ų28.416%0.16213%0.129CC..Hα-helixtrans-50.4-38.2177.2-30.236000113.9L185 A793 N816L185-P789 HydrophobicContact CD1-CG 4.48Å; P789-A793 PolarHBondContact O-N 2.95Å; P789-N816 HydrophobicContact CB-CB 4.46Å; P789-N816 WeakPolarHBondContact CB-O 3.11Å; P789-N816 HydrophobicContact CG-CB 3.89Å
790W85.2Confident90.2Very high146 Ų14631.5 Ų31.555%0.55314%0.14SC*.Hα-helixtrans-68.2-43.4177.8178.984.6000112.5S788 A793 Q794S788-W790 PolarHBondContact O-N 3.08Å; S788-W790 VanDerWaalsContact O-N 3.09Å; W790-A793 PolarHBondContact O-N 3.03Å; W790-Q794 WeakPolarHBondContact O-CB 3.49Å; W790-Q794 PolarHBondContact O-N 2.88Å
791Q89.3Confident90.4Very high14 Ų1433.8 Ų33.87%0.06515%0.152CC..Hα-helixtrans-63.3-40.3175.9-74169-31.900111.4G757 L760 L764 V787 S788 A793 Q794 L795G757-Q791 PolarHBondContact O-NE2 3.04Å; L760-Q791 HydrophobicContact CD2-CB 4.34Å; L764-Q791 HydrophobicContact CD1-CG 4.47Å; V787-Q791 HydrophobicContact CG1-CB 3.48Å; V787-Q791 VanDerWaalsContact CG1-CB 3.48Å; S788-Q791 WeakPolarHBondContact O-CB 3.39Å; S788-Q791 PolarHBondContact O-N 3.48Å; S788-Q791 VanDerWaalsContact OG-CG 3.23Å; S788-Q791 WeakPolarHBondContact OG-CG 3.49Å; S788-Q791 PolarHBondContact OG-N 3.44Å; S788-Q791 PolarHBondContact OG-OE1 3.34Å; S788-Q791 VanDerWaalsContact OG-OE1 3.08Å; Q791-A793 VanDerWaalsContact C-N 3.34Å; Q791-A793 PolarHBondContact O-N 3.07Å; Q791-Q794 PolarHBondContact O-N 3.29Å; Q791-L795 WeakPolarHBondContact O-CB 3.27Å; Q791-L795 PolarHBondContact O-N 3.24Å
792K91Very high90.2Very high1 Ų136 Ų360%0.00417%0.167CC..Hα-helixtrans-54.9-50.7173.9-62.9-166.7-172.9-175.30110.7D413 L695 V787 S788 Q794 L795 V796 D817 M820D413-K792 IonicContact OD1-NZ 2.83Å; D413-K792 PolarHBondContact OD1-NZ 3.39Å; L695-K792 HydrophobicContact CB-CD 4.16Å; L695-K792 HydrophobicContact CB-CG 4.09Å; L695-K792 HydrophobicContact CD1-CB 4.28Å; L695-K792 HydrophobicContact CD1-CG 4.49Å; L695-K792 WeakPolarHBondContact O-CE 3.22Å; L695-K792 PolarHBondContact O-NZ 3.02Å; L695-K792 VanDerWaalsContact O-NZ 3.1Å; V787-K792 HydrophobicContact CB-CG 4.21Å; V787-K792 HydrophobicContact CG1-CB 4.42Å; V787-K792 HydrophobicContact CG1-CG 3.61Å; S788-K792 PolarHBondContact O-N 3.19Å; K792-Q794 VanDerWaalsContact C-N 3.34Å; K792-Q794 PolarHBondContact O-N 3.21Å; K792-L795 PolarHBondContact O-N 3Å; K792-V796 WeakPolarHBondContact O-CG2 3.42Å; K792-V796 PolarHBondContact O-N 3.25Å; K792-D817 IonicContact NZ-OD1 3.19Å; K792-D817 PolarHBondContact NZ-OD1 2.9Å; K792-M820 HydrophobicContact CB-CB 4.08Å; K792-M820 HydrophobicContact CB-CG 4.26Å; K792-M820 HydrophobicContact CB-SD 4.33Å; K792-M820 HydrophobicContact CD-SD 4.21Å
793A90Very high89.8Confident9 Ų937.7 Ų37.77%0.07418%0.176CC..Hα-helixtrans-63.1-38.117900000113P789 W790 Q791 K797 G819 A823P789-A793 PolarHBondContact O-N 2.95Å; W790-A793 PolarHBondContact O-N 3.03Å; Q791-A793 VanDerWaalsContact C-N 3.34Å; Q791-A793 PolarHBondContact O-N 3.07Å; A793-K797 VanDerWaalsContact O-CG 3.31Å; A793-K797 WeakPolarHBondContact O-CG 3.27Å; A793-K797 PolarHBondContact O-N 2.6Å; A793-G819 WeakPolarHBondContact CB-O 3.27Å; A793-A823 HydrophobicContact CB-CB 4.45Å
794Q90.5Very high88.9Confident59 Ų5946.3 Ų46.328%0.27621%0.213SC..Hα-helixtrans-69.3-40.3-179.9-173.562.95.300112.1L764 W790 Q791 K792 K797 L798L764-Q794 HydrophobicContact CD1-CB 4.45Å; L764-Q794 HydrophobicContact CD1-CG 4.26Å; W790-Q794 WeakPolarHBondContact O-CB 3.49Å; W790-Q794 PolarHBondContact O-N 2.88Å; Q791-Q794 PolarHBondContact O-N 3.29Å; K792-Q794 VanDerWaalsContact C-N 3.34Å; K792-Q794 PolarHBondContact O-N 3.21Å; Q794-K797 PolarHBondContact O-N 2.66Å; Q794-L798 WeakPolarHBondContact O-CB 3.19Å; Q794-L798 PolarHBondContact O-N 3.01Å
795L92.4Very high88.1Confident0 Ų053.9 Ų53.90%025%0.254CS..Hα-helixtrans-63-44.2176.2-17465.1000111.6W693 L695 L760 L764 F772 Q791 K792 K797 L798 V799W693-L795 HydrophobicContact CE3-CD2 4.25Å; W693-L795 HydrophobicContact CZ3-CD1 4.21Å; W693-L795 HydrophobicContact CZ3-CD2 4.4Å; W693-L795 HydrophobicContact CZ3-CG 4.36Å; L695-L795 HydrophobicContact CD1-CD2 3.97Å; L695-L795 HydrophobicContact CD2-CD2 3.4Å; L695-L795 VanDerWaalsContact CD2-CD2 3.4Å; L695-L795 HydrophobicContact CG-CD2 4.35Å; L760-L795 HydrophobicContact CD1-CD1 4.48Å; L764-L795 HydrophobicContact CD2-CD1 4.31Å; F772-L795 HydrophobicContact CE1-CD1 3.73Å; F772-L795 HydrophobicContact CZ-CD1 4.34Å; Q791-L795 WeakPolarHBondContact O-CB 3.27Å; Q791-L795 PolarHBondContact O-N 3.24Å; K792-L795 PolarHBondContact O-N 3Å; L795-K797 VanDerWaalsContact C-N 3.34Å; L795-K797 PolarHBondContact O-N 3.42Å; L795-L798 WeakPolarHBondContact O-CB 3.37Å; L795-L798 PolarHBondContact O-N 2.84Å; L795-V799 PolarHBondContact O-N 3.22Å; L795-V799 VanDerWaalsContact O-N 3.08Å
796V93.3Very high87.8Confident0 Ų054.2 Ų54.20%026%0.256CS..Hα-helixtrans-61.6-42.6175.1175.60000111.5F411 L695 K792 L798 R800 M820 A823 A824F411-V796 HydrophobicContact CB-CG2 4.06Å; F411-V796 HydrophobicContact CD1-CG2 4.01Å; F411-V796 HydrophobicContact CD2-CB 4.42Å; F411-V796 HydrophobicContact CD2-CG1 4.2Å; F411-V796 HydrophobicContact CD2-CG2 3.64Å; F411-V796 HydrophobicContact CE1-CG2 4.37Å; F411-V796 HydrophobicContact CE2-CB 4.42Å; F411-V796 HydrophobicContact CE2-CG1 4.18Å; F411-V796 HydrophobicContact CE2-CG2 4.04Å; F411-V796 HydrophobicContact CG-CG2 3.62Å; F411-V796 HydrophobicContact CZ-CG2 4.39Å; L695-V796 HydrophobicContact CD1-CG2 4.47Å; K792-V796 WeakPolarHBondContact O-CG2 3.42Å; K792-V796 PolarHBondContact O-N 3.25Å; V796-L798 VanDerWaalsContact C-N 3.32Å; V796-L798 PolarHBondContact O-N 3.12Å; V796-R800 WeakPolarHBondContact O-CB 3.2Å; V796-R800 PolarHBondContact O-N 3.36Å; V796-M820 HydrophobicContact CG2-CG 3.62Å; V796-A823 HydrophobicContact CB-CB 4.12Å; V796-A823 HydrophobicContact CG1-CB 3.94Å; V796-A824 HydrophobicContact CG1-CB 3.82Å
797K91.1Very high88Confident84 Ų8448.5 Ų48.537%0.36524%0.235SC..Hα-helixtrans-61.8-40.5175.2-75.2173.1-172.7169.70111.7A793 Q794 L795 R800 Q801 A823A793-K797 VanDerWaalsContact O-CG 3.31Å; A793-K797 WeakPolarHBondContact O-CG 3.27Å; A793-K797 PolarHBondContact O-N 2.6Å; Q794-K797 PolarHBondContact O-N 2.66Å; L795-K797 VanDerWaalsContact C-N 3.34Å; L795-K797 PolarHBondContact O-N 3.42Å; K797-R800 PolarHBondContact O-N 3.22Å; K797-Q801 WeakPolarHBondContact O-CB 3.39Å; K797-Q801 VanDerWaalsContact O-CG 3.26Å; K797-Q801 WeakPolarHBondContact O-CG 3.27Å; K797-Q801 PolarHBondContact O-N 3.13Å; K797-A823 HydrophobicContact CG-CB 3.89Å
798L91.8Very high88.3Confident5 Ų548.3 Ų48.33%0.02623%0.234CC..Hα-helixtrans-60.5-51.8179174.961.2000111.6L764 R769 F772 Q794 L795 V796 R800 Q801 S802L764-L798 HydrophobicContact CD2-CD2 3.83Å; R769-L798 HydrophobicContact CG-CD1 3.48Å; R769-L798 VanDerWaalsContact CG-CD1 3.48Å; R769-L798 HydrophobicContact CG-CD2 3.99Å; R769-L798 HydrophobicContact CG-CG 4.4Å; R769-L798 VanDerWaalsContact CZ-CD1 3.44Å; F772-L798 HydrophobicContact CD1-CD2 4.48Å; Q794-L798 WeakPolarHBondContact O-CB 3.19Å; Q794-L798 PolarHBondContact O-N 3.01Å; L795-L798 WeakPolarHBondContact O-CB 3.37Å; L795-L798 PolarHBondContact O-N 2.84Å; V796-L798 VanDerWaalsContact C-N 3.32Å; V796-L798 PolarHBondContact O-N 3.12Å; L798-R800 VanDerWaalsContact C-N 3.34Å; L798-R800 PolarHBondContact O-N 2.88Å; L798-Q801 PolarHBondContact O-N 2.62Å; L798-S802 WeakPolarHBondContact O-CB 3.31Å; L798-S802 PolarHBondContact O-N 3.03Å; L798-S802 PolarHBondContact O-OG 3.03Å
799V92.1Very high88.8Confident1 Ų146.1 Ų46.11%0.00622%0.219CC..Hα-helixtrans-64.2-41.4179.3177.80000110.9Y409 F411 W693 L773 L795 Q801 S802 I803 T808Y409-V799 HydrophobicContact CD2-CG1 4.32Å; Y409-V799 HydrophobicContact CG-CG1 4.42Å; F411-V799 HydrophobicContact CE1-CG2 4.26Å; F411-V799 HydrophobicContact CZ-CB 3.79Å; F411-V799 HydrophobicContact CZ-CG1 3.97Å; F411-V799 HydrophobicContact CZ-CG2 3.83Å; W693-V799 HydrophobicContact CH2-CG2 3.8Å; W693-V799 HydrophobicContact CZ3-CG2 3.76Å; L773-V799 HydrophobicContact CD1-CG2 4.23Å; L795-V799 PolarHBondContact O-N 3.22Å; L795-V799 VanDerWaalsContact O-N 3.08Å; V799-Q801 PolarHBondContact O-N 3.42Å; V799-S802 WeakPolarHBondContact CA-OG 3.42Å; V799-S802 PolarHBondContact O-OG 3.11Å; V799-S802 VanDerWaalsContact O-OG 3.04Å; V799-I803 HydrophobicContact CG1-CD1 4.3Å; V799-I803 PolarHBondContact O-N 3.21Å; V799-I803 VanDerWaalsContact O-N 3.11Å; V799-T808 HydrophobicContact CG1-CG2 4.11Å
800R90.9Very high89.4Confident69 Ų6945 Ų4526%0.2621%0.211SC..Hα-helixtrans-62.4-40177.1166.6165.3-175.1-153-2.5113.7V796 K797 L798 T808 A823 H825V796-R800 WeakPolarHBondContact O-CB 3.2Å; V796-R800 PolarHBondContact O-N 3.36Å; K797-R800 PolarHBondContact O-N 3.22Å; L798-R800 VanDerWaalsContact C-N 3.34Å; L798-R800 PolarHBondContact O-N 2.88Å; R800-T808 HydrophobicContact CB-CG2 4.46Å; R800-A823 WeakPolarHBondContact CD-O 3.49Å; R800-A823 PolarHBondContact NH1-O 2.9Å; R800-H825 VanDerWaalsContact CG-CE1 3.4Å; R800-H825 WeakPolarHBondContact CG-CE1 3.27Å; R800-H825 PolarHBondContact NE-CD2 2.81Å; R800-H825 PolarHBondContact NE-NE2 3.5Å; R800-H825 VanDerWaalsContact NE-NE2 3.12Å
801Q89.2Confident89.9Confident124 Ų12438 Ų3858%0.57919%0.185SC*.Hα-helixtrans-78.9-33.1-177.7-74.7176.7-200112.7K797 L798 V799K797-Q801 WeakPolarHBondContact O-CB 3.39Å; K797-Q801 VanDerWaalsContact O-CG 3.26Å; K797-Q801 WeakPolarHBondContact O-CG 3.27Å; K797-Q801 PolarHBondContact O-N 3.13Å; L798-Q801 PolarHBondContact O-N 2.62Å; V799-Q801 PolarHBondContact O-N 3.42Å
802S86.3Confident90Very high47 Ų4737.3 Ų37.333%0.32918%0.181SC..Hα-helixtrans-76-44.3-178.851.70000112.4L773 L798 V799L773-S802 VanDerWaalsContact CD2-OG 3.3Å; L773-S802 WeakPolarHBondContact CD2-OG 3.45Å; L798-S802 WeakPolarHBondContact O-CB 3.31Å; L798-S802 PolarHBondContact O-N 3.03Å; L798-S802 PolarHBondContact O-OG 3.03Å; V799-S802 WeakPolarHBondContact CA-OG 3.42Å; V799-S802 PolarHBondContact O-OG 3.11Å; V799-S802 VanDerWaalsContact O-OG 3.04Å
803I84.6Confident89.9Confident34 Ų3437.6 Ų37.617%0.17418%0.183CC..  trans-102.188.5180-51.1167.3000110.1Y409 L777 V799 D805 A806Y409-I803 HydrophobicContact CE2-CD1 3.67Å; L777-I803 HydrophobicContact CD1-CD1 3.72Å; L777-I803 HydrophobicContact CD1-CG1 4.18Å; L777-I803 HydrophobicContact CD2-CD1 3.45Å; L777-I803 VanDerWaalsContact CD2-CD1 3.45Å; L777-I803 HydrophobicContact CG-CD1 4.23Å; V799-I803 HydrophobicContact CG1-CD1 4.3Å; V799-I803 PolarHBondContact O-N 3.21Å; V799-I803 VanDerWaalsContact O-N 3.11Å; I803-D805 PolarHBondContact O-N 3.36Å; I803-A806 HydrophobicContact CB-CB 4.05Å; I803-A806 HydrophobicContact CG2-CB 3.4Å; I803-A806 PolarHBondContact O-N 3.46Å
804K76.6Confident89.5Confident182 Ų18237.2 Ų37.279%0.79118%0.179SC*.THydrogen-bonded Turntrans-60.6-27.5-177.2-68.3-178.2-179.2173.90114.4
805D77.6Confident89.1Confident160 Ų16035.1 Ų35.186%0.85617%0.173SC*.THydrogen-bonded Turntrans-94-6.1-174.5-60.1-29.3000113.5I803I803-D805 PolarHBondContact O-N 3.36Å
806A85.2Confident88.7Confident6 Ų635.3 Ų35.35%0.0517%0.174CC..  trans-104.2132.9-177.400000112.1R408 Y409 I803R408-A806 HydrophobicContact CB-CB 4.28Å; Y409-A806 HydrophobicContact CD2-CB 4.02Å; Y409-A806 HydrophobicContact CE2-CB 3.84Å; I803-A806 HydrophobicContact CB-CB 4.05Å; I803-A806 HydrophobicContact CG2-CB 3.4Å; I803-A806 PolarHBondContact O-N 3.46Å
807V92.4Very high88.5Confident2 Ų235.3 Ų35.31%0.01217%0.174CC..EExtended strand (participates in β ladder)trans-87.3132.5173.2-177.40000109.2T246 E403 Q406 V407 R408 Y409 H825 V826T246-V807 HydrophobicContact CG2-CG2 4.14Å; E403-V807 HydrophobicContact CB-CG1 4.35Å; E403-V807 WeakPolarHBondContact OE2-CG2 3.15Å; Q406-V807 HydrophobicContact CB-CB 4.28Å; Q406-V807 HydrophobicContact CB-CG2 3.68Å; Q406-V807 WeakPolarHBondContact O-CB 3.38Å; V407-V807 HydrophobicContact CG2-CG1 4.22Å; R408-V807 PolarHBondContact N-O 2.75Å; Y409-V807 PolarHBondContact N-O 3.11Å; V807-H825 HydrophobicContact CG1-CB 3.77Å; V807-V826 HydrophobicContact CG1-CG2 4.44Å
808T94.7Very high88.3Confident1 Ų131.7 Ų31.71%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-109.2131.9-178.954.20000109.9Y409 F411 V799 R800 H825 V826Y409-T808 WeakPolarHBondContact O-CA 3.45Å; F411-T808 HydrophobicContact CE2-CG2 3.86Å; V799-T808 HydrophobicContact CG1-CG2 4.11Å; R800-T808 HydrophobicContact CB-CG2 4.46Å; T808-H825 PolarHBondContact N-ND1 3.08Å; T808-H825 WeakPolarHBondContact O-CB 3.31Å; T808-H825 PolarHBondContact O-N 2.8Å; T808-H825 PolarHBondContact OG1-N 3.47Å; T808-H825 PolarHBondContact OG1-ND1 3.03Å; T808-V826 PolarHBondContact O-N 2.84Å; T808-V826 VanDerWaalsContact O-N 3.09Å
809L96.3Very high88.1Confident0 Ų032 Ų320%016%0.163CC..EExtended strand (participates in β ladder)trans-113138.2174.4-176.8150.7000109.3L404 V407 Y409 I410 F411 I811 V826 V828 L852 L856L404-L809 HydrophobicContact CD2-CD1 4.38Å; V407-L809 HydrophobicContact CG1-CB 3.58Å; V407-L809 HydrophobicContact CG1-CD1 4.37Å; V407-L809 HydrophobicContact CG2-CB 4.1Å; V407-L809 HydrophobicContact CG2-CD1 4.04Å; Y409-L809 PolarHBondContact O-N 3.35Å; I410-L809 CarbonylContact C-O 3.6Å; I410-L809 WeakPolarHBondContact CA-O 3.42Å; I410-L809 HydrophobicContact CG1-CB 4.23Å; I410-L809 HydrophobicContact CG1-CD2 4.16Å; I410-L809 HydrophobicContact CG2-CD2 4.03Å; F411-L809 WeakPolarHBondContact CD2-O 3.2Å; F411-L809 PolarHBondContact N-O 2.98Å; L809-I811 HydrophobicContact CD2-CB 4.24Å; L809-V826 CarbonylContact C-O 3.58Å; L809-V826 VanDerWaalsContact CA-O 3.3Å; L809-V826 WeakPolarHBondContact CA-O 3.14Å; L809-V826 HydrophobicContact CD1-CB 4.42Å; L809-V826 HydrophobicContact CD1-CG1 4.15Å; L809-V826 HydrophobicContact CG-CB 4.39Å; L809-V826 HydrophobicContact CG-CG1 4.41Å; L809-V828 HydrophobicContact CD1-CG2 3.91Å; L809-V828 HydrophobicContact CD2-CG2 4.04Å; L809-V828 HydrophobicContact CG-CG2 4.08Å; L809-L852 HydrophobicContact CD1-CD1 4.27Å; L809-L852 HydrophobicContact CD2-CD1 4.46Å; L809-L856 HydrophobicContact CD1-CD1 4.33Å; L809-L856 HydrophobicContact CD1-CD2 3.86Å
810A96.1Very high88Confident0 Ų032 Ų320%016%0.162CC..EExtended strand (participates in β ladder)trans-119.5136.8171.200000110.1F411 M820 I821 A824 V826 V828F411-A810 HydrophobicContact CB-CB 4.39Å; F411-A810 CarbonylContact O-C 3.55Å; F411-A810 VanDerWaalsContact O-CA 3.29Å; F411-A810 WeakPolarHBondContact O-CA 3.38Å; A810-M820 HydrophobicContact CB-CE 4.15Å; A810-M820 HydrophobicContact CB-CG 3.87Å; A810-M820 HydrophobicContact CB-SD 4.49Å; A810-I821 HydrophobicContact CB-CG1 4.45Å; A810-A824 HydrophobicContact CB-CB 3.55Å; A810-V826 PolarHBondContact N-O 2.74Å; A810-V828 PolarHBondContact O-N 3.32Å
811I95.5Very high88.1Confident0 Ų028.7 Ų28.70%015%0.15CC..EExtended strand (participates in β ladder)trans-129133.8178.4-172.8167000111.1I410 F411 D413 T417 L809 M820 V828 I830 I846 F849 L852I410-I811 HydrophobicContact CG2-CG2 4.15Å; F411-I811 PolarHBondContact O-N 2.83Å; D413-I811 PolarHBondContact N-O 3.38Å; T417-I811 HydrophobicContact CG2-CG1 4.23Å; T417-I811 HydrophobicContact CG2-CG2 4.28Å; L809-I811 HydrophobicContact CD2-CB 4.24Å; I811-M820 WeakPolarHBondContact O-CE 3.2Å; I811-V828 VanDerWaalsContact CA-O 3.29Å; I811-V828 WeakPolarHBondContact CA-O 3.35Å; I811-V828 HydrophobicContact CB-CB 4.19Å; I811-V828 HydrophobicContact CD1-CB 4.3Å; I811-V828 HydrophobicContact CD1-CG1 3.89Å; I811-V828 HydrophobicContact CG1-CB 4.08Å; I811-V828 HydrophobicContact CG1-CG1 4.06Å; I811-I830 HydrophobicContact CD1-CD1 3.97Å; I811-I830 HydrophobicContact CD1-CG1 4.11Å; I811-I830 HydrophobicContact CG1-CD1 4.07Å; I811-I830 HydrophobicContact CG1-CG1 4.12Å; I811-I846 HydrophobicContact CD1-CD1 4.08Å; I811-F849 HydrophobicContact CD1-CD2 3.84Å; I811-F849 HydrophobicContact CD1-CE2 4.2Å; I811-F849 HydrophobicContact CG2-CE2 4.14Å; I811-L852 HydrophobicContact CD1-CD2 4.09Å
812G92.1Very high88.1Confident0 Ų023.3 Ų23.30%013%0.125CC..EExtended strand (participates in β ladder)trans-166.1166.1-179.800000112T417 D817 V828 G829 I830T417-G812 WeakPolarHBondContact OG1-CA 3.23Å; G812-D817 VanDerWaalsContact CA-OD2 3.29Å; G812-D817 WeakPolarHBondContact CA-OD2 3.38Å; G812-V828 PolarHBondContact N-O 2.92Å; G812-G829 CarbonylContact O-C 3.54Å; G812-G829 WeakPolarHBondContact O-CA 3.4Å; G812-I830 PolarHBondContact O-N 3.31Å
813D89Confident88.2Confident7 Ų721.3 Ų21.34%0.03711%0.111CC..SBendtrans-113.9-33.3-178.668.6-39000112.4G416 T417 I830 A838G416-D813 VanDerWaalsContact CA-OD2 3.29Å; G416-D813 WeakPolarHBondContact CA-OD2 3.5Å; T417-D813 PolarHBondContact OG1-N 3.48Å; D813-I830 HydrophobicContact CB-CB 3.96Å; D813-I830 HydrophobicContact CB-CG2 4.21Å; D813-A838 WeakPolarHBondContact O-CB 3.39Å
814G82.4Confident88.6Confident0 Ų019.7 Ų19.70%010%0.103CC..SBendtrans-90.2170.5-17300000116.2N144 N816 D817 A838N144-G814 CarbonylContact O-C 3.59Å; G814-N816 VanDerWaalsContact C-N 3.29Å; G814-N816 VanDerWaalsContact C-OD1 3.23Å; G814-N816 VanDerWaalsContact CA-OD1 3.3Å; G814-N816 WeakPolarHBondContact CA-OD1 3.42Å; G814-N816 PolarHBondContact O-N 2.88Å; G814-D817 PolarHBondContact O-N 3.22Å; G814-A838 WeakPolarHBondContact O-CB 3.31Å
815A81.8Confident89.4Confident16 Ų1611.7 Ų11.713%0.1327%0.069CC..G310 helixtrans-66.8-31.1175.100000112.6N144 L145 V233 D817 V818 Q837N144-A815 WeakPolarHBondContact O-CA 3.33Å; N144-A815 WeakPolarHBondContact O-CB 3.41Å; N144-A815 PolarHBondContact O-N 3.37Å; L145-A815 HydrophobicContact CD2-CB 4.31Å; V233-A815 HydrophobicContact CG1-CB 3.57Å; A815-D817 PolarHBondContact O-N 2.75Å; A815-V818 WeakPolarHBondContact O-CB 3.4Å; A815-V818 PolarHBondContact O-N 2.89Å; A815-Q837 HydrophobicContact CB-CB 4.43Å
816N84.1Confident90.2Very high4 Ų44.1 Ų4.12%0.0213%0.028CC..G310 helixtrans-53.2-30.8170.859.4-14.3000113.4N144 L145 G147 P789 G814N144-N816 PolarHBondContact O-N 3.01Å; N144-N816 PolarHBondContact O-OD1 2.89Å; L145-N816 WeakPolarHBondContact O-CB 3.08Å; G147-N816 PolarHBondContact N-ND2 3.44Å; P789-N816 HydrophobicContact CB-CB 4.46Å; P789-N816 WeakPolarHBondContact CB-O 3.11Å; P789-N816 HydrophobicContact CG-CB 3.89Å; G814-N816 VanDerWaalsContact C-N 3.29Å; G814-N816 VanDerWaalsContact C-OD1 3.23Å; G814-N816 VanDerWaalsContact CA-OD1 3.3Å; G814-N816 WeakPolarHBondContact CA-OD1 3.42Å; G814-N816 PolarHBondContact O-N 2.88Å
817D88.7Confident90.7Very high0 Ų03.8 Ų3.80%03%0.025CC..G310 helixtrans-92.6-11.3-175.3-63.2-34.6000113.4D413 K792 G812 G814 A815 G819 M820 I821D413-D817 WeakPolarHBondContact CB-OD2 3.3Å; K792-D817 IonicContact NZ-OD1 3.19Å; K792-D817 PolarHBondContact NZ-OD1 2.9Å; G812-D817 VanDerWaalsContact CA-OD2 3.29Å; G812-D817 WeakPolarHBondContact CA-OD2 3.38Å; G814-D817 PolarHBondContact O-N 3.22Å; A815-D817 PolarHBondContact O-N 2.75Å; D817-G819 VanDerWaalsContact C-N 3.25Å; D817-G819 PolarHBondContact O-N 2.61Å; D817-M820 HydrophobicContact CB-CE 4.01Å; D817-M820 CarbonylContact O-C 3.17Å; D817-M820 WeakPolarHBondContact O-CA 3.32Å; D817-M820 VanDerWaalsContact O-CB 3.29Å; D817-M820 WeakPolarHBondContact O-CB 3.41Å; D817-M820 PolarHBondContact O-N 3.48Å; D817-I821 HydrophobicContact CB-CD1 4.2Å; D817-I821 WeakPolarHBondContact O-CB 3.49Å; D817-I821 VanDerWaalsContact O-CG1 3.32Å; D817-I821 WeakPolarHBondContact O-CG1 3.49Å; D817-I821 PolarHBondContact O-N 3.46Å
818V86.7Confident90.8Very high8 Ų83.7 Ų3.75%0.0483%0.025CC..Hα-helixtrans-55.6-42.5-179.3172.80000111.3A815 M820 I821 Q822 A841A815-V818 WeakPolarHBondContact O-CB 3.4Å; A815-V818 PolarHBondContact O-N 2.89Å; V818-M820 VanDerWaalsContact C-N 3.34Å; V818-M820 PolarHBondContact O-N 2.9Å; V818-I821 PolarHBondContact O-N 2.91Å; V818-Q822 HydrophobicContact CG1-CG 4.38Å; V818-Q822 WeakPolarHBondContact O-CB 3.43Å; V818-Q822 VanDerWaalsContact O-CG 3.24Å; V818-Q822 WeakPolarHBondContact O-CG 3.32Å; V818-Q822 PolarHBondContact O-N 3.2Å; V818-A841 HydrophobicContact CG1-CB 3.71Å; V818-A841 HydrophobicContact CG2-CB 4.2Å
819G86.9Confident90.7Very high11 Ų113.7 Ų3.711%0.1133%0.025CC..Hα-helixtrans-63.3-38.4175.900000113.1A793 D817 A823A793-G819 WeakPolarHBondContact CB-O 3.27Å; D817-G819 VanDerWaalsContact C-N 3.25Å; D817-G819 PolarHBondContact O-N 2.61Å; G819-A823 VanDerWaalsContact O-CB 3.27Å; G819-A823 WeakPolarHBondContact O-CB 3.27Å; G819-A823 PolarHBondContact O-N 3.46Å; G819-A823 VanDerWaalsContact O-N 3.13Å
820M91.6Very high90.4Very high0 Ų03.7 Ų3.70%03%0.025CC..Hα-helixtrans-67.4-47.8176.5-174-172.566.300111.4F411 L695 K792 V796 A810 I811 D817 V818 Q822 A823 A824F411-M820 HydrophobicContact CB-SD 4.07Å; L695-M820 HydrophobicContact CB-SD 4.48Å; L695-M820 HydrophobicContact CD1-SD 3.9Å; K792-M820 HydrophobicContact CB-CB 4.08Å; K792-M820 HydrophobicContact CB-CG 4.26Å; K792-M820 HydrophobicContact CB-SD 4.33Å; K792-M820 HydrophobicContact CD-SD 4.21Å; V796-M820 HydrophobicContact CG2-CG 3.62Å; A810-M820 HydrophobicContact CB-CE 4.15Å; A810-M820 HydrophobicContact CB-CG 3.87Å; A810-M820 HydrophobicContact CB-SD 4.49Å; I811-M820 WeakPolarHBondContact O-CE 3.2Å; D817-M820 HydrophobicContact CB-CE 4.01Å; D817-M820 CarbonylContact O-C 3.17Å; D817-M820 WeakPolarHBondContact O-CA 3.32Å; D817-M820 VanDerWaalsContact O-CB 3.29Å; D817-M820 WeakPolarHBondContact O-CB 3.41Å; D817-M820 PolarHBondContact O-N 3.48Å; V818-M820 VanDerWaalsContact C-N 3.34Å; V818-M820 PolarHBondContact O-N 2.9Å; M820-Q822 PolarHBondContact O-N 3.01Å; M820-A823 PolarHBondContact O-N 3.39Å; M820-A824 PolarHBondContact O-N 3.1Å
821I91.8Very high89.8Confident0 Ų04.9 Ų4.90%03%0.033CC..Hα-helixtrans-60.5-43.1178.7-70.6172.5000111.5K243 A810 D817 V818 A838K243-I821 PolarHBondContact NZ-O 3.33Å; A810-I821 HydrophobicContact CB-CG1 4.45Å; D817-I821 HydrophobicContact CB-CD1 4.2Å; D817-I821 WeakPolarHBondContact O-CB 3.49Å; D817-I821 VanDerWaalsContact O-CG1 3.32Å; D817-I821 WeakPolarHBondContact O-CG1 3.49Å; D817-I821 PolarHBondContact O-N 3.46Å; V818-I821 PolarHBondContact O-N 2.91Å; I821-A838 HydrophobicContact CD1-CB 3.87Å
822Q89.3Confident88.4Confident11 Ų116.1 Ų6.15%0.0515%0.045CC..Hα-helixtrans-74.1-31179.5-70.6176.5-17.600112.7T238 P241 K243 V818 M820T238-Q822 VanDerWaalsContact O-CD 3.25Å; T238-Q822 PolarHBondContact O-NE2 3.3Å; T238-Q822 PolarHBondContact O-OE1 3.06Å; T238-Q822 PolarHBondContact OG1-OE1 3.39Å; P241-Q822 HydrophobicContact CG-CB 4.33Å; P241-Q822 WeakPolarHBondContact CG-O 3.33Å; K243-Q822 WeakPolarHBondContact CE-O 3.21Å; V818-Q822 HydrophobicContact CG1-CG 4.38Å; V818-Q822 WeakPolarHBondContact O-CB 3.43Å; V818-Q822 VanDerWaalsContact O-CG 3.24Å; V818-Q822 WeakPolarHBondContact O-CG 3.32Å; V818-Q822 PolarHBondContact O-N 3.2Å; M820-Q822 PolarHBondContact O-N 3.01Å
823A89.6Confident87.1Confident5 Ų514.7 Ų14.74%0.0419%0.088CC..Hα-helixtrans-69.2-33.7176.600000113.5A793 V796 K797 R800 G819 M820A793-A823 HydrophobicContact CB-CB 4.45Å; V796-A823 HydrophobicContact CB-CB 4.12Å; V796-A823 HydrophobicContact CG1-CB 3.94Å; K797-A823 HydrophobicContact CG-CB 3.89Å; R800-A823 WeakPolarHBondContact CD-O 3.49Å; R800-A823 PolarHBondContact NH1-O 2.9Å; G819-A823 VanDerWaalsContact O-CB 3.27Å; G819-A823 WeakPolarHBondContact O-CB 3.27Å; G819-A823 PolarHBondContact O-N 3.46Å; G819-A823 VanDerWaalsContact O-N 3.13Å; M820-A823 PolarHBondContact O-N 3.39Å
824A92.8Very high85.7Confident0 Ų017.3 Ų17.30%010%0.1CC..SBendtrans-68.7160.9-179.500000113.5K243 V796 A810 M820 V826K243-A824 WeakPolarHBondContact CE-O 3.46Å; K243-A824 PolarHBondContact NZ-O 2.96Å; V796-A824 HydrophobicContact CG1-CB 3.82Å; A810-A824 HydrophobicContact CB-CB 3.55Å; M820-A824 PolarHBondContact O-N 3.1Å; A824-V826 VanDerWaalsContact C-N 3.32Å; A824-V826 WeakPolarHBondContact CB-O 3.44Å
825H93.3Very high84.8Confident15 Ų1518.1 Ų18.17%0.06911%0.108CC..SBendtrans-66.5-36.4171.9-68.5106.8000112K243 R800 V807 T808K243-H825 WeakPolarHBondContact CD-O 3.25Å; R800-H825 VanDerWaalsContact CG-CE1 3.4Å; R800-H825 WeakPolarHBondContact CG-CE1 3.27Å; R800-H825 PolarHBondContact NE-CD2 2.81Å; R800-H825 PolarHBondContact NE-NE2 3.5Å; R800-H825 VanDerWaalsContact NE-NE2 3.12Å; V807-H825 HydrophobicContact CG1-CB 3.77Å; T808-H825 PolarHBondContact N-ND1 3.08Å; T808-H825 WeakPolarHBondContact O-CB 3.31Å; T808-H825 PolarHBondContact O-N 2.8Å; T808-H825 PolarHBondContact OG1-N 3.47Å; T808-H825 PolarHBondContact OG1-ND1 3.03Å
826V94.3Very high84.2Confident0 Ų025.2 Ų25.20%013%0.131CC..EExtended strand (participates in β ladder)trans-128.8129.9173.2-179.80000108.9E403 L404 V807 T808 L809 A810 A824 V828 Y844E403-V826 HydrophobicContact CB-CG2 3.66Å; L404-V826 HydrophobicContact CD2-CG1 3.84Å; V807-V826 HydrophobicContact CG1-CG2 4.44Å; T808-V826 PolarHBondContact O-N 2.84Å; T808-V826 VanDerWaalsContact O-N 3.09Å; L809-V826 CarbonylContact C-O 3.58Å; L809-V826 VanDerWaalsContact CA-O 3.3Å; L809-V826 WeakPolarHBondContact CA-O 3.14Å; L809-V826 HydrophobicContact CD1-CB 4.42Å; L809-V826 HydrophobicContact CD1-CG1 4.15Å; L809-V826 HydrophobicContact CG-CB 4.39Å; L809-V826 HydrophobicContact CG-CG1 4.41Å; A810-V826 PolarHBondContact N-O 2.74Å; A824-V826 VanDerWaalsContact C-N 3.32Å; A824-V826 WeakPolarHBondContact CB-O 3.44Å; V826-V828 HydrophobicContact CG1-CG2 4.47Å; V826-Y844 HydrophobicContact CG1-CD2 3.8Å; V826-Y844 HydrophobicContact CG1-CE2 3.8Å
827G94.3Very high83.9Confident0 Ų026.5 Ų26.50%014%0.137CC..EExtended strand (participates in β ladder)trans-11112617600000111.8D843 Y844G827-D843 PolarHBondContact N-OD2 2.89Å; G827-D843 WeakPolarHBondContact O-CA 3.43Å; G827-D843 WeakPolarHBondContact O-CB 3.35Å; G827-D843 PolarHBondContact O-N 3.25Å; G827-Y844 PolarHBondContact O-N 3.08Å; G827-Y844 VanDerWaalsContact O-N 3.11Å
828V95.1Very high83.6Confident0 Ų026.5 Ų26.50%014%0.137CC..EExtended strand (participates in β ladder)trans-112.6125.9176.1-177.20000109L809 A810 I811 G812 V826 Y844 I846 L852L809-V828 HydrophobicContact CD1-CG2 3.91Å; L809-V828 HydrophobicContact CD2-CG2 4.04Å; L809-V828 HydrophobicContact CG-CG2 4.08Å; A810-V828 PolarHBondContact O-N 3.32Å; I811-V828 VanDerWaalsContact CA-O 3.29Å; I811-V828 WeakPolarHBondContact CA-O 3.35Å; I811-V828 HydrophobicContact CB-CB 4.19Å; I811-V828 HydrophobicContact CD1-CB 4.3Å; I811-V828 HydrophobicContact CD1-CG1 3.89Å; I811-V828 HydrophobicContact CG1-CB 4.08Å; I811-V828 HydrophobicContact CG1-CG1 4.06Å; G812-V828 PolarHBondContact N-O 2.92Å; V826-V828 HydrophobicContact CG1-CG2 4.47Å; V828-Y844 CarbonylContact C-O 3.55Å; V828-Y844 VanDerWaalsContact CA-O 3.25Å; V828-Y844 WeakPolarHBondContact CA-O 3.39Å; V828-I846 HydrophobicContact CG1-CD1 3.7Å; V828-I846 HydrophobicContact CG1-CG1 3.77Å; V828-L852 HydrophobicContact CG2-CD1 4.39Å
829G92.7Very high83.4Confident0 Ų026.3 Ų26.30%014%0.136CC..EExtended strand (participates in β ladder)trans-104.9132.8175.300000110.8G812 S842 Y844 A845 I846G812-G829 CarbonylContact O-C 3.54Å; G812-G829 WeakPolarHBondContact O-CA 3.4Å; G829-S842 PolarHBondContact N-OG 2.88Å; G829-Y844 PolarHBondContact N-O 2.97Å; G829-A845 CarbonylContact O-C 3.57Å; G829-A845 VanDerWaalsContact O-CA 3.28Å; G829-A845 WeakPolarHBondContact O-CA 3.41Å; G829-I846 PolarHBondContact O-N 3.11Å
830I91.2Very high83.1Confident1 Ų126.3 Ų26.31%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-84.7129169.8-70.7174.5000108.7T417 I811 G812 D813 G832 I846 A847 F849T417-I830 HydrophobicContact CG2-CD1 3.62Å; I811-I830 HydrophobicContact CD1-CD1 3.97Å; I811-I830 HydrophobicContact CD1-CG1 4.11Å; I811-I830 HydrophobicContact CG1-CD1 4.07Å; I811-I830 HydrophobicContact CG1-CG1 4.12Å; G812-I830 PolarHBondContact O-N 3.31Å; D813-I830 HydrophobicContact CB-CB 3.96Å; D813-I830 HydrophobicContact CB-CG2 4.21Å; I830-G832 VanDerWaalsContact C-N 3.35Å; I830-G832 PolarHBondContact O-N 2.9Å; I830-G832 VanDerWaalsContact O-N 3.15Å; I830-I846 CarbonylContact C-O 3.52Å; I830-I846 VanDerWaalsContact CA-O 3.27Å; I830-I846 WeakPolarHBondContact CA-O 3.36Å; I830-I846 HydrophobicContact CG1-CG1 4.28Å; I830-A847 WeakPolarHBondContact CG2-O 3.27Å; I830-F849 HydrophobicContact CD1-CB 4.46Å
831S81.8Confident82.6Confident25 Ų2527.1 Ų27.118%0.17514%0.142CC..  trans-86.778.6178.7-55.60000109I846S831-I846 PolarHBondContact N-O 3.05Å
832G67.6Low82.5Confident25 Ų2527.3 Ų27.326%0.25814%0.143SC..  trans-77.7169.8178.900000113.5I830I830-G832 VanDerWaalsContact C-N 3.35Å; I830-G832 PolarHBondContact O-N 2.9Å; I830-G832 VanDerWaalsContact O-N 3.15Å
833M63.2Low82.5Confident181 Ų18127.3 Ų27.389%0.89214%0.143SC*.SBendtrans-74.8-28.9172.8-66.1-69-77.200112
834E59.9Low82.7Confident61 Ų6127.2 Ų27.229%0.28514%0.142SC..SBendtrans-81.3-23.6-172.4-64.8173.6-152.200112.9S143 N144 N421S143-E834 WeakPolarHBondContact CB-OE2 3.32Å; S143-E834 PolarHBondContact OG-OE2 3.39Å; N144-E834 PolarHBondContact ND2-O 2.76Å; N421-E834 PolarHBondContact ND2-OE1 2.8Å; N421-E834 VanDerWaalsContact ND2-OE1 3.08Å; N421-E834 PolarHBondContact ND2-OE2 2.85Å
835G63Low82.7Confident17 Ų1727.3 Ų27.318%0.17514%0.142CC..  trans-172.8145.4-178.300000113.6
836R71.1Confident82.7Confident165 Ų16526.6 Ų26.662%0.62314%0.139SC*.  trans-107.34.4177.7-67.2179.8177.1168.6-1.2113.7A839 C840R836-A839 PolarHBondContact O-N 3.43Å; R836-C840 VanDerWaalsContact O-CB 3.29Å; R836-C840 WeakPolarHBondContact O-CB 3.3Å; R836-C840 PolarHBondContact O-N 2.97Å; R836-C840 PolarHBondContact O-SG 3.47Å
837Q76.8Confident82.5Confident32 Ų3227 Ų2715%0.1514%0.142CC..Hα-helixtrans-67.8-43.1-170.4-63.4-173.511.300112.8A815 C840 A841A815-Q837 HydrophobicContact CB-CB 4.43Å; Q837-C840 PolarHBondContact O-N 2.94Å; Q837-A841 PolarHBondContact O-N 2.89Å; Q837-A841 VanDerWaalsContact O-N 3.07Å
838A81.6Confident82.4Confident0 Ų028 Ų280%015%0.147CC..Hα-helixtrans-63.8-49175.100000111.7D813 G814 I821 C840 A841 S842D813-A838 WeakPolarHBondContact O-CB 3.39Å; G814-A838 WeakPolarHBondContact O-CB 3.31Å; I821-A838 HydrophobicContact CD1-CB 3.87Å; A838-C840 PolarHBondContact O-N 3.3Å; A838-A841 PolarHBondContact O-N 2.97Å; A838-A841 VanDerWaalsContact O-N 3.13Å; A838-S842 VanDerWaalsContact O-CB 3.27Å; A838-S842 WeakPolarHBondContact O-CB 3.22Å; A838-S842 PolarHBondContact O-N 3.05Å
839A83.5Confident82.3Confident3 Ų328 Ų283%0.02515%0.147CC..Hα-helixtrans-54.7-39.3174.500000111.1R396 R836 S842 A845R396-A839 WeakPolarHBondContact CD-O 3.23Å; R396-A839 VanDerWaalsContact CZ-O 3.23Å; R396-A839 PolarHBondContact NE-O 3.45Å; R836-A839 PolarHBondContact O-N 3.43Å; A839-S842 PolarHBondContact O-OG 2.74Å; A839-A845 HydrophobicContact CB-CB 4.19Å
840C80.6Confident82.4Confident11 Ų1132.3 Ų32.37%0.07416%0.163CC..Hα-helixtrans-65.3-41.3178.3-790000113.9R396 R836 Q837 A838R396-C840 PolarHBondContact NH1-O 3.49Å; R836-C840 VanDerWaalsContact O-CB 3.29Å; R836-C840 WeakPolarHBondContact O-CB 3.3Å; R836-C840 PolarHBondContact O-N 2.97Å; R836-C840 PolarHBondContact O-SG 3.47Å; Q837-C840 PolarHBondContact O-N 2.94Å; A838-C840 PolarHBondContact O-N 3.3Å
841A81Confident82.6Confident18 Ų1832.7 Ų32.715%0.14917%0.165CC..Hα-helixtrans-87.9-6.4-178.200000114.9V818 Q837 A838V818-A841 HydrophobicContact CG1-CB 3.71Å; V818-A841 HydrophobicContact CG2-CB 4.2Å; Q837-A841 PolarHBondContact O-N 2.89Å; Q837-A841 VanDerWaalsContact O-N 3.07Å; A838-A841 PolarHBondContact O-N 2.97Å; A838-A841 VanDerWaalsContact O-N 3.13Å
842S89.4Confident83.2Confident3 Ų331.5 Ų31.52%0.02116%0.157CC..SBendtrans-81.5162.9-176.569.80000114.6R396 G829 A838 A839 Y844R396-S842 WeakPolarHBondContact CD-O 3.44Å; G829-S842 PolarHBondContact N-OG 2.88Å; A838-S842 VanDerWaalsContact O-CB 3.27Å; A838-S842 WeakPolarHBondContact O-CB 3.22Å; A838-S842 PolarHBondContact O-N 3.05Å; A839-S842 PolarHBondContact O-OG 2.74Å; S842-Y844 PolarHBondContact OG-O 3.29Å; S842-Y844 VanDerWaalsContact OG-O 3.07Å
843D90.8Very high84.5Confident12 Ų1231.1 Ų31.16%0.06415%0.148CC..SBendtrans-81.1-35172.6-61.5-57.7000111.7K243 R396 T397 L400 G827K243-D843 WeakPolarHBondContact CD-OD2 3.26Å; K243-D843 WeakPolarHBondContact CE-OD2 3.3Å; K243-D843 IonicContact NZ-OD2 3.18Å; K243-D843 PolarHBondContact NZ-OD2 3.4Å; R396-D843 WeakPolarHBondContact CA-O 3.4Å; R396-D843 WeakPolarHBondContact CB-O 3.38Å; R396-D843 PolarHBondContact N-O 3.31Å; T397-D843 WeakPolarHBondContact CB-OD1 3.06Å; T397-D843 PolarHBondContact N-O 3.22Å; T397-D843 VanDerWaalsContact N-O 3.09Å; T397-D843 PolarHBondContact OG1-OD1 2.99Å; L400-D843 HydrophobicContact CD1-CB 4.04Å; L400-D843 VanDerWaalsContact CD1-CG 3.47Å; G827-D843 PolarHBondContact N-OD2 2.89Å; G827-D843 WeakPolarHBondContact O-CA 3.43Å; G827-D843 WeakPolarHBondContact O-CB 3.35Å; G827-D843 PolarHBondContact O-N 3.25Å
844Y93.1Very high86Confident2 Ų223.6 Ų23.61%0.00811%0.111CC..EExtended strand (participates in β ladder)trans-130.4131.8174.7-59.7-85000109.5L378 M394 A395 L400 N401 L404 V826 G827 V828 G829 S842L378-Y844 HydrophobicContact CD1-CD1 4.27Å; L378-Y844 HydrophobicContact CD1-CE1 4.01Å; M394-Y844 CarbonylContact O-C 3.54Å; M394-Y844 WeakPolarHBondContact O-CA 3.34Å; A395-Y844 HydrophobicContact CB-CD1 3.81Å; A395-Y844 HydrophobicContact CB-CE1 3.7Å; L400-Y844 HydrophobicContact CB-CE2 4.46Å; L400-Y844 PolarHBondContact O-OH 3.08Å; N401-Y844 VanDerWaalsContact CA-OH 3.24Å; N401-Y844 WeakPolarHBondContact CA-OH 3.43Å; N401-Y844 PolarHBondContact N-OH 3.28Å; N401-Y844 VanDerWaalsContact N-OH 3.14Å; N401-Y844 PolarHBondContact OD1-OH 3.47Å; L404-Y844 HydrophobicContact CD1-CE1 3.9Å; L404-Y844 HydrophobicContact CD1-CE2 3.88Å; L404-Y844 HydrophobicContact CD2-CD2 4.21Å; L404-Y844 HydrophobicContact CD2-CE2 3.93Å; L404-Y844 HydrophobicContact CG-CE2 3.95Å; V826-Y844 HydrophobicContact CG1-CD2 3.8Å; V826-Y844 HydrophobicContact CG1-CE2 3.8Å; G827-Y844 PolarHBondContact O-N 3.08Å; G827-Y844 VanDerWaalsContact O-N 3.11Å; V828-Y844 CarbonylContact C-O 3.55Å; V828-Y844 VanDerWaalsContact CA-O 3.25Å; V828-Y844 WeakPolarHBondContact CA-O 3.39Å; G829-Y844 PolarHBondContact N-O 2.97Å; S842-Y844 PolarHBondContact OG-O 3.29Å; S842-Y844 VanDerWaalsContact OG-O 3.07Å
845A91.9Very high87.6Confident2 Ų220.7 Ų20.72%0.01710%0.097CC..EExtended strand (participates in β ladder)trans-106.1129.2171.600000109.6A393 M394 G829 A839A393-A845 CarbonylContact C-O 3.58Å; A393-A845 WeakPolarHBondContact CA-O 3.26Å; M394-A845 HydrophobicContact CB-CB 4.39Å; M394-A845 PolarHBondContact N-O 3.22Å; M394-A845 PolarHBondContact O-N 3.2Å; G829-A845 CarbonylContact O-C 3.57Å; G829-A845 VanDerWaalsContact O-CA 3.28Å; G829-A845 WeakPolarHBondContact O-CA 3.41Å; A839-A845 HydrophobicContact CB-CB 4.19Å
846I93.4Very high89.2Confident1 Ų119.9 Ų19.91%0.0059%0.089CC..EExtended strand (participates in β ladder)trans-127.5155.9174.561.3178.7000109.3A393 I811 V828 G829 I830 S831 Q848 F851 L852 L855A393-I846 HydrophobicContact CB-CG2 4.21Å; I811-I846 HydrophobicContact CD1-CD1 4.08Å; V828-I846 HydrophobicContact CG1-CD1 3.7Å; V828-I846 HydrophobicContact CG1-CG1 3.77Å; G829-I846 PolarHBondContact O-N 3.11Å; I830-I846 CarbonylContact C-O 3.52Å; I830-I846 VanDerWaalsContact CA-O 3.27Å; I830-I846 WeakPolarHBondContact CA-O 3.36Å; I830-I846 HydrophobicContact CG1-CG1 4.28Å; S831-I846 PolarHBondContact N-O 3.05Å; I846-Q848 WeakPolarHBondContact CD1-O 3.28Å; I846-F851 HydrophobicContact CB-CB 4.46Å; I846-L852 HydrophobicContact CD1-CB 4.33Å; I846-L855 HydrophobicContact CG2-CD2 4.28Å
847A90.9Very high90.3Very high7 Ų712.2 Ų12.26%0.0586%0.06CC..SBendtrans-80.4-38.9-179.900000113.1D386 T391 I830 F851D386-A847 HydrophobicContact CB-CB 3.47Å; D386-A847 VanDerWaalsContact CB-CB 3.47Å; T391-A847 WeakPolarHBondContact OG1-CB 3.38Å; I830-A847 WeakPolarHBondContact CG2-O 3.27Å; A847-F851 HydrophobicContact CB-CE2 4.09Å
848Q91.6Very high91.1Very high22 Ų2210.8 Ų10.810%0.1035%0.054CC..SBendtrans-136.6151.2-173.9-62.9-174.6-3.600111.1D386 I846 R850 F851D386-Q848 VanDerWaalsContact OD1-CD 3.28Å; D386-Q848 PolarHBondContact OD1-NE2 3.17Å; D386-Q848 PolarHBondContact OD2-NE2 3.29Å; I846-Q848 WeakPolarHBondContact CD1-O 3.28Å; Q848-R850 VanDerWaalsContact C-N 3.26Å; Q848-R850 HydrophobicContact CB-CG 4.06Å; Q848-R850 PolarHBondContact O-N 3.07Å; Q848-R850 VanDerWaalsContact OE1-CZ 3.22Å; Q848-F851 HydrophobicContact CB-CD2 4.17Å; Q848-F851 HydrophobicContact CB-CE2 4.08Å; Q848-F851 HydrophobicContact CG-CE2 4.43Å; Q848-F851 PolarHBondContact O-N 3.11Å
849F93.9Very high91.7Very high0 Ų011.6 Ų11.60%06%0.058CC..THydrogen-bonded Turntrans-59-33.1-179.2-173.6-89000113.2T417 L418 V678 T681 I682 I811 I830 F851 L852T417-F849 HydrophobicContact CG2-CD2 4.1Å; L418-F849 HydrophobicContact CD2-CD1 4.4Å; L418-F849 HydrophobicContact CD2-CD2 3.88Å; L418-F849 HydrophobicContact CD2-CE1 4.21Å; L418-F849 HydrophobicContact CD2-CE2 3.66Å; L418-F849 HydrophobicContact CD2-CG 4.25Å; L418-F849 HydrophobicContact CD2-CZ 3.85Å; V678-F849 HydrophobicContact CB-CD1 4.4Å; V678-F849 HydrophobicContact CG1-CD1 4.29Å; V678-F849 HydrophobicContact CG1-CE1 4.44Å; V678-F849 HydrophobicContact CG2-CB 3.99Å; V678-F849 HydrophobicContact CG2-CD1 3.92Å; V678-F849 HydrophobicContact CG2-CG 4.2Å; T681-F849 HydrophobicContact CG2-CD1 3.97Å; T681-F849 HydrophobicContact CG2-CE1 3.69Å; I682-F849 HydrophobicContact CD1-CE1 4.36Å; I682-F849 HydrophobicContact CD1-CZ 4.48Å; I682-F849 HydrophobicContact CG1-CE1 3.83Å; I682-F849 HydrophobicContact CG1-CZ 4.1Å; I811-F849 HydrophobicContact CD1-CD2 3.84Å; I811-F849 HydrophobicContact CD1-CE2 4.2Å; I811-F849 HydrophobicContact CG2-CE2 4.14Å; I830-F849 HydrophobicContact CD1-CB 4.46Å; F849-F851 PolarHBondContact O-N 2.72Å; F849-F851 VanDerWaalsContact O-N 3.13Å; F849-L852 HydrophobicContact CE2-CD2 4.06Å; F849-L852 HydrophobicContact CZ-CD2 4.12Å; F849-L852 WeakPolarHBondContact O-CB 3.36Å; F849-L852 PolarHBondContact O-N 3.19Å
850R93.7Very high92.1Very high90 Ų9011.5 Ų11.534%0.346%0.056SC..THydrogen-bonded Turntrans-56.8-30.1179.461.3174.4178.2172.1-3.7114.3D386 T676 T681 Q848 L852 N853D386-R850 IonicContact OD1-NH2 3.78Å; D386-R850 PolarHBondContact OD1-NH2 3.02Å; D386-R850 VanDerWaalsContact OD1-NH2 3.11Å; T676-R850 WeakPolarHBondContact O-CB 3.37Å; T681-R850 WeakPolarHBondContact OG1-CA 3.28Å; Q848-R850 VanDerWaalsContact C-N 3.26Å; Q848-R850 HydrophobicContact CB-CG 4.06Å; Q848-R850 PolarHBondContact O-N 3.07Å; Q848-R850 VanDerWaalsContact OE1-CZ 3.22Å; R850-L852 PolarHBondContact O-N 2.76Å; R850-N853 VanDerWaalsContact O-CB 3.26Å; R850-N853 WeakPolarHBondContact O-CB 3.27Å; R850-N853 PolarHBondContact O-N 3.09Å
851F95Very high92.7Very high10 Ų1011.1 Ų11.14%0.0445%0.054CC..Hα-helixtrans-69.8-19.1-179.5-59-43.3000112.4D383 M384 D386 I846 A847 Q848 F849 N853 K854 L855D383-F851 WeakPolarHBondContact O-CD1 3.4Å; D383-F851 WeakPolarHBondContact O-CE1 3.45Å; M384-F851 HydrophobicContact CB-CB 4.37Å; M384-F851 HydrophobicContact CB-CD1 4.29Å; M384-F851 HydrophobicContact CB-CG 4.27Å; M384-F851 HydrophobicContact CG-CB 4.28Å; M384-F851 HydrophobicContact CG-CD1 4.37Å; M384-F851 HydrophobicContact CG-CG 4.5Å; D386-F851 HydrophobicContact CB-CE2 4.02Å; D386-F851 HydrophobicContact CB-CZ 4.25Å; I846-F851 HydrophobicContact CB-CB 4.46Å; A847-F851 HydrophobicContact CB-CE2 4.09Å; Q848-F851 HydrophobicContact CB-CD2 4.17Å; Q848-F851 HydrophobicContact CB-CE2 4.08Å; Q848-F851 HydrophobicContact CG-CE2 4.43Å; Q848-F851 PolarHBondContact O-N 3.11Å; F849-F851 PolarHBondContact O-N 2.72Å; F849-F851 VanDerWaalsContact O-N 3.13Å; F851-N853 PolarHBondContact O-N 3.46Å; F851-K854 PolarHBondContact O-N 2.92Å; F851-L855 VanDerWaalsContact O-CB 3.3Å; F851-L855 WeakPolarHBondContact O-CB 3.17Å; F851-L855 PolarHBondContact O-N 2.92Å
852L94.8Very high93.2Very high0 Ų011.3 Ų11.30%05%0.051CC..Hα-helixtrans-57.8-32.3172.3-168.762.9000112I410 L685 L809 I811 V828 I846 F849 R850 L855 L856I410-L852 HydrophobicContact CD1-CD2 4.2Å; L685-L852 HydrophobicContact CD1-CD2 4.13Å; L685-L852 HydrophobicContact CD1-CG 4.5Å; L809-L852 HydrophobicContact CD1-CD1 4.27Å; L809-L852 HydrophobicContact CD2-CD1 4.46Å; I811-L852 HydrophobicContact CD1-CD2 4.09Å; V828-L852 HydrophobicContact CG2-CD1 4.39Å; I846-L852 HydrophobicContact CD1-CB 4.33Å; F849-L852 HydrophobicContact CE2-CD2 4.06Å; F849-L852 HydrophobicContact CZ-CD2 4.12Å; F849-L852 WeakPolarHBondContact O-CB 3.36Å; F849-L852 PolarHBondContact O-N 3.19Å; R850-L852 PolarHBondContact O-N 2.76Å; L852-L855 HydrophobicContact CD1-CD2 4.25Å; L852-L855 PolarHBondContact O-N 2.95Å; L852-L856 HydrophobicContact CD1-CD1 3.85Å; L852-L856 HydrophobicContact CD1-CG 4.01Å; L852-L856 HydrophobicContact CG-CD1 3.89Å; L852-L856 HydrophobicContact CG-CG 4.37Å; L852-L856 PolarHBondContact O-N 2.72Å
853N94.7Very high93.4Very high16 Ų1611.3 Ų11.39%0.0865%0.051CC..Hα-helixtrans-58-52.8176.9-166.327.2000111.4T681 N684 R850 F851 L857T681-N853 HydrophobicContact CG2-CB 3.83Å; N684-N853 PolarHBondContact ND2-ND2 3.37Å; R850-N853 VanDerWaalsContact O-CB 3.26Å; R850-N853 WeakPolarHBondContact O-CB 3.27Å; R850-N853 PolarHBondContact O-N 3.09Å; F851-N853 PolarHBondContact O-N 3.46Å; N853-L857 VanDerWaalsContact O-CB 3.3Å; N853-L857 WeakPolarHBondContact O-CB 3.5Å; N853-L857 WeakPolarHBondContact O-CG 3.3Å; N853-L857 PolarHBondContact O-N 2.72Å; N853-L857 VanDerWaalsContact O-N 3.1Å; N853-L857 WeakPolarHBondContact OD1-CD1 3.12Å
854K94.5Very high93.5Very high23 Ų2310.7 Ų10.710%0.15%0.047CC..Hα-helixtrans-73.6-38.8-179.6-165.1179.7-177.8-165.70111.6D381 D383 M384 F851 L856 V858 H859D381-K854 VanDerWaalsContact CG-NZ 3.26Å; D381-K854 IonicContact OD1-NZ 2.75Å; D381-K854 PolarHBondContact OD1-NZ 3.31Å; D381-K854 VanDerWaalsContact OD2-CE 3.26Å; D381-K854 WeakPolarHBondContact OD2-CE 3.28Å; D381-K854 IonicContact OD2-NZ 2.67Å; D381-K854 PolarHBondContact OD2-NZ 2.95Å; D383-K854 HydrophobicContact CB-CD 3.9Å; D383-K854 VanDerWaalsContact CB-NZ 3.28Å; D383-K854 VanDerWaalsContact CG-NZ 3.33Å; D383-K854 IonicContact OD2-NZ 2.71Å; D383-K854 PolarHBondContact OD2-NZ 3.41Å; M384-K854 HydrophobicContact CG-CB 4.43Å; M384-K854 HydrophobicContact CG-CD 4.21Å; M384-K854 HydrophobicContact SD-CB 4.34Å; F851-K854 PolarHBondContact O-N 2.92Å; K854-L856 PolarHBondContact O-N 2.85Å; K854-V858 HydrophobicContact CG-CB 4.14Å; K854-V858 HydrophobicContact CG-CG2 3.97Å; K854-V858 VanDerWaalsContact O-CB 3.31Å; K854-V858 WeakPolarHBondContact O-CB 3.38Å; K854-V858 PolarHBondContact O-N 3.29Å; K854-V858 VanDerWaalsContact O-N 3.09Å; K854-H859 PolarHBondContact O-N 2.87Å
855L95.4Very high93.4Very high1 Ų111.1 Ų11.11%0.0055%0.05CC..Iπ-helixtrans-55.9-46.8178.5179.861.3000112.1L378 M384 L404 I846 F851 L852 H859 G860L378-L855 HydrophobicContact CD1-CD1 3.55Å; L378-L855 HydrophobicContact CD2-CD1 4.38Å; L378-L855 HydrophobicContact CG-CD1 4.18Å; M384-L855 HydrophobicContact SD-CB 4.18Å; L404-L855 HydrophobicContact CD1-CD1 3.78Å; L404-L855 HydrophobicContact CD1-CG 4.19Å; L404-L855 HydrophobicContact CD2-CG 4.39Å; I846-L855 HydrophobicContact CG2-CD2 4.28Å; F851-L855 VanDerWaalsContact O-CB 3.3Å; F851-L855 WeakPolarHBondContact O-CB 3.17Å; F851-L855 PolarHBondContact O-N 2.92Å; L852-L855 HydrophobicContact CD1-CD2 4.25Å; L852-L855 PolarHBondContact O-N 2.95Å; L855-H859 WeakPolarHBondContact O-CB 3.33Å; L855-G860 PolarHBondContact O-N 3.46Å
856L95.1Very high93.4Very high0 Ų012 Ų120%05%0.053CC..Iπ-helixtrans-81.8-57.5-179.5-65.5175.7000112.2L404 V407 I410 L685 I690 L809 L852 K854 V858 G860 A861 Y939L404-L856 HydrophobicContact CB-CD2 4.16Å; L404-L856 HydrophobicContact CD2-CD2 3.71Å; L404-L856 WeakPolarHBondContact O-CD2 3.43Å; V407-L856 HydrophobicContact CB-CD2 4.36Å; V407-L856 HydrophobicContact CG2-CD2 3.92Å; I410-L856 HydrophobicContact CD1-CD1 3.91Å; L685-L856 HydrophobicContact CD2-CD1 3.88Å; I690-L856 HydrophobicContact CD1-CD1 4.32Å; L809-L856 HydrophobicContact CD1-CD1 4.33Å; L809-L856 HydrophobicContact CD1-CD2 3.86Å; L852-L856 HydrophobicContact CD1-CD1 3.85Å; L852-L856 HydrophobicContact CD1-CG 4.01Å; L852-L856 HydrophobicContact CG-CD1 3.89Å; L852-L856 HydrophobicContact CG-CG 4.37Å; L852-L856 PolarHBondContact O-N 2.72Å; K854-L856 PolarHBondContact O-N 2.85Å; L856-V858 VanDerWaalsContact C-N 3.3Å; L856-V858 PolarHBondContact O-N 3.46Å; L856-G860 WeakPolarHBondContact O-CA 3.22Å; L856-G860 PolarHBondContact O-N 2.93Å; L856-A861 PolarHBondContact O-N 3.47Å; L856-Y939 HydrophobicContact CB-CE2 4.46Å; L856-Y939 VanDerWaalsContact O-CE2 3.32Å; L856-Y939 WeakPolarHBondContact O-CE2 3.43Å
857L94.3Very high93.4Very high4 Ų411.9 Ų11.92%0.0215%0.052CC..Iπ-helixtrans-68.8-28.3-169.2-59.2-175.5000113.4N684 A688 N853 A861 P936 Y939N684-L857 HydrophobicContact CB-CD1 4.44Å; A688-L857 HydrophobicContact CB-CD2 3.68Å; N853-L857 VanDerWaalsContact O-CB 3.3Å; N853-L857 WeakPolarHBondContact O-CB 3.5Å; N853-L857 WeakPolarHBondContact O-CG 3.3Å; N853-L857 PolarHBondContact O-N 2.72Å; N853-L857 VanDerWaalsContact O-N 3.1Å; N853-L857 WeakPolarHBondContact OD1-CD1 3.12Å; L857-A861 WeakPolarHBondContact O-CB 3.24Å; L857-P936 HydrophobicContact CD1-CB 3.78Å; L857-P936 HydrophobicContact CD1-CG 4.02Å; L857-P936 HydrophobicContact CD2-CB 4.32Å; L857-Y939 HydrophobicContact CD2-CD2 3.96Å; L857-Y939 HydrophobicContact CD2-CG 3.92Å
858V93.6Very high93.4Very high1 Ų111.7 Ų11.71%0.0065%0.05CC..Iπ-helixtrans-104.6-68.2-178.6-174.30000110.3K854 L856 W862 V929 C932 L933K854-V858 HydrophobicContact CG-CB 4.14Å; K854-V858 HydrophobicContact CG-CG2 3.97Å; K854-V858 VanDerWaalsContact O-CB 3.31Å; K854-V858 WeakPolarHBondContact O-CB 3.38Å; K854-V858 PolarHBondContact O-N 3.29Å; K854-V858 VanDerWaalsContact O-N 3.09Å; L856-V858 VanDerWaalsContact C-N 3.3Å; L856-V858 PolarHBondContact O-N 3.46Å; V858-W862 HydrophobicContact CG1-CD2 3.99Å; V858-W862 HydrophobicContact CG1-CE3 3.99Å; V858-W862 HydrophobicContact CG1-CH2 4.04Å; V858-W862 HydrophobicContact CG1-CZ2 3.98Å; V858-W862 HydrophobicContact CG1-CZ3 4.03Å; V858-W862 VanDerWaalsContact O-CB 3.27Å; V858-W862 WeakPolarHBondContact O-CB 3.34Å; V858-W862 VanDerWaalsContact O-CG 3.23Å; V858-W862 PolarHBondContact O-N 3.44Å; V858-V929 HydrophobicContact CG1-CG1 4.28Å; V858-V929 HydrophobicContact CG1-CG2 4.1Å; V858-V929 HydrophobicContact CG2-CG1 4.09Å; V858-C932 HydrophobicContact CG2-CB 4.01Å; V858-L933 HydrophobicContact CG2-CD2 3.94Å; V858-L933 HydrophobicContact CG2-CG 3.99Å
859H94.3Very high93.4Very high18 Ų1812.9 Ų12.98%0.0836%0.055CC..Iπ-helixtrans-65.3-46.6-174-72-70.4000111.9D381 M384 K854 L855 W862 N863D381-H859 IonicContact OD2-CD2 3.5Å; D381-H859 IonicContact OD2-CE1 3.42Å; D381-H859 IonicContact OD2-NE2 3.79Å; D381-H859 PolarHBondContact OD2-NE2 2.92Å; M384-H859 WeakPolarHBondContact CE-NE2 3.29Å; K854-H859 PolarHBondContact O-N 2.87Å; L855-H859 WeakPolarHBondContact O-CB 3.33Å; H859-W862 PolarHBondContact O-N 2.76Å; H859-N863 VanDerWaalsContact O-CB 3.22Å; H859-N863 WeakPolarHBondContact O-CB 3.05Å; H859-N863 PolarHBondContact O-N 3.21Å; H859-N863 PolarHBondContact O-ND2 3.44Å; H859-N863 VanDerWaalsContact O-ND2 3.14Å
860G93Very high93.4Very high0 Ų012.9 Ų12.90%06%0.055CC..Iπ-helixtrans-59.1-51.9176.600000112.9G405 L855 L856 W862 N863 Y864G405-G860 VanDerWaalsContact CA-C 3.43Å; G405-G860 WeakPolarHBondContact CA-O 3.46Å; L855-G860 PolarHBondContact O-N 3.46Å; L856-G860 WeakPolarHBondContact O-CA 3.22Å; L856-G860 PolarHBondContact O-N 2.93Å; G860-W862 PolarHBondContact O-N 3.43Å; G860-N863 PolarHBondContact O-N 3.45Å; G860-Y864 WeakPolarHBondContact O-CB 3.3Å; G860-Y864 PolarHBondContact O-N 3.1Å
861A91.8Very high93.3Very high3 Ų38.7 Ų8.73%0.0254%0.039CC..Hα-helixtrans-61.8-40.717900000112.8L856 L857 N865 Y939 T942L856-A861 PolarHBondContact O-N 3.47Å; L857-A861 WeakPolarHBondContact O-CB 3.24Å; A861-N865 VanDerWaalsContact O-CG 3.24Å; A861-N865 PolarHBondContact O-N 3.16Å; A861-N865 PolarHBondContact O-ND2 3.29Å; A861-Y939 HydrophobicContact CB-CD2 4.22Å; A861-T942 HydrophobicContact CB-CG2 4.44Å
862W92.5Very high93.2Very high23 Ų238.5 Ų8.59%0.0874%0.039CC..Hα-helixtrans-67.2-47.4176.4-74.5-1.3000112.1V858 H859 G860 Y864 N865 R866 C927 V929V858-W862 HydrophobicContact CG1-CD2 3.99Å; V858-W862 HydrophobicContact CG1-CE3 3.99Å; V858-W862 HydrophobicContact CG1-CH2 4.04Å; V858-W862 HydrophobicContact CG1-CZ2 3.98Å; V858-W862 HydrophobicContact CG1-CZ3 4.03Å; V858-W862 VanDerWaalsContact O-CB 3.27Å; V858-W862 WeakPolarHBondContact O-CB 3.34Å; V858-W862 VanDerWaalsContact O-CG 3.23Å; V858-W862 PolarHBondContact O-N 3.44Å; H859-W862 PolarHBondContact O-N 2.76Å; G860-W862 PolarHBondContact O-N 3.43Å; W862-Y864 PolarHBondContact O-N 3.27Å; W862-N865 PolarHBondContact O-N 3.11Å; W862-R866 WeakPolarHBondContact O-CB 3.42Å; W862-R866 WeakPolarHBondContact O-CD 3.48Å; W862-R866 WeakPolarHBondContact O-CG 3.49Å; W862-R866 PolarHBondContact O-N 3.25Å; W862-C927 VanDerWaalsContact CZ2-O 3.29Å; W862-C927 WeakPolarHBondContact CZ2-O 3.44Å; W862-C927 PolarHBondContact NE1-O 3.23Å; W862-V929 HydrophobicContact CH2-CG2 3.39Å; W862-V929 HydrophobicContact CZ2-CG2 3.76Å; W862-V929 HydrophobicContact CZ3-CG2 4.34Å
863N93.1Very high93.2Very high2 Ų28.6 Ų8.61%0.0114%0.039CC..Hα-helixtrans-62.3-42.7-178-68.8-17.9000111.6N401 H859 G860 R866 L867N401-N863 HydrophobicContact CB-CB 4.31Å; N401-N863 WeakPolarHBondContact O-CB 3.11Å; H859-N863 VanDerWaalsContact O-CB 3.22Å; H859-N863 WeakPolarHBondContact O-CB 3.05Å; H859-N863 PolarHBondContact O-N 3.21Å; H859-N863 PolarHBondContact O-ND2 3.44Å; H859-N863 VanDerWaalsContact O-ND2 3.14Å; G860-N863 PolarHBondContact O-N 3.45Å; N863-R866 PolarHBondContact O-N 3.29Å; N863-L867 VanDerWaalsContact O-CB 3.28Å; N863-L867 WeakPolarHBondContact O-CB 3.42Å; N863-L867 PolarHBondContact O-N 2.85Å
864Y92.7Very high93Very high0 Ų07.8 Ų7.80%04%0.035CC..Hα-helixtrans-59.2-50.5174.2178.9-96.1000112.3V247 Q406 G860 W862 R866 L867 T868 T942 S945V247-Y864 HydrophobicContact CG2-CD2 4.21Å; V247-Y864 HydrophobicContact CG2-CE2 3.93Å; Q406-Y864 HydrophobicContact CG-CD2 3.71Å; Q406-Y864 HydrophobicContact CG-CE2 3.67Å; Q406-Y864 HydrophobicContact CG-CG 4.48Å; G860-Y864 WeakPolarHBondContact O-CB 3.3Å; G860-Y864 PolarHBondContact O-N 3.1Å; W862-Y864 PolarHBondContact O-N 3.27Å; Y864-R866 PolarHBondContact O-N 3.17Å; Y864-L867 PolarHBondContact O-N 2.73Å; Y864-T868 HydrophobicContact CD1-CG2 4.4Å; Y864-T868 HydrophobicContact CD2-CG2 4.22Å; Y864-T868 HydrophobicContact CE1-CG2 4.05Å; Y864-T868 HydrophobicContact CE2-CG2 3.84Å; Y864-T868 HydrophobicContact CG-CG2 4.48Å; Y864-T868 WeakPolarHBondContact O-CB 3.34Å; Y864-T868 VanDerWaalsContact O-CG2 3.24Å; Y864-T868 WeakPolarHBondContact O-CG2 3.49Å; Y864-T868 PolarHBondContact O-N 2.95Å; Y864-T868 PolarHBondContact O-OG1 3.21Å; Y864-T942 HydrophobicContact CD1-CG2 3.82Å; Y864-T942 HydrophobicContact CE1-CG2 4.43Å; Y864-S945 WeakPolarHBondContact OH-CA 3.03Å
865N90.8Very high92.8Very high11 Ų116.8 Ų6.86%0.0593%0.03CC..Hα-helixtrans-64.6-39.5-179.3-70.9-39.6000112.7A861 W862 T868 K869 S926 R1093A861-N865 VanDerWaalsContact O-CG 3.24Å; A861-N865 PolarHBondContact O-N 3.16Å; A861-N865 PolarHBondContact O-ND2 3.29Å; W862-N865 PolarHBondContact O-N 3.11Å; N865-T868 PolarHBondContact O-OG1 3.11Å; N865-T868 VanDerWaalsContact O-OG1 3.11Å; N865-K869 WeakPolarHBondContact O-CB 3.27Å; N865-K869 WeakPolarHBondContact O-CG 3.45Å; N865-K869 PolarHBondContact O-N 3.38Å; N865-S926 PolarHBondContact ND2-OG 3.09Å; N865-R1093 PolarHBondContact ND2-NH1 3.17Å; N865-R1093 PolarHBondContact ND2-NH2 3.41Å; N865-R1093 PolarHBondContact OD1-NH1 3.43Å; N865-R1093 VanDerWaalsContact OD1-NH1 3.13Å
866R92.7Very high92.7Very high19 Ų196.7 Ų6.77%0.0723%0.03CC..Hα-helixtrans-64-48.5177.3-74.9165.2-177.9165.90.3111.4W862 N863 Y864 L870 G921 D924W862-R866 WeakPolarHBondContact O-CB 3.42Å; W862-R866 WeakPolarHBondContact O-CD 3.48Å; W862-R866 WeakPolarHBondContact O-CG 3.49Å; W862-R866 PolarHBondContact O-N 3.25Å; N863-R866 PolarHBondContact O-N 3.29Å; Y864-R866 PolarHBondContact O-N 3.17Å; R866-L870 WeakPolarHBondContact O-CB 3.02Å; R866-L870 PolarHBondContact O-N 3.36Å; R866-G921 WeakPolarHBondContact CB-O 3.25Å; R866-G921 WeakPolarHBondContact CD-O 3.44Å; R866-D924 HydrophobicContact CG-CB 4.32Å; R866-D924 VanDerWaalsContact CZ-O 3.25Å; R866-D924 PolarHBondContact NE-O 3.31Å; R866-D924 PolarHBondContact NH2-O 2.95Å
867L92.1Very high92.6Very high0 Ų06.8 Ų6.80%03%0.03CC..Hα-helixtrans-69-43.5-174.5-160.271.2000111.8V247 L367 V370 E402 N863 Y864 K869 L870 I871V247-L867 HydrophobicContact CG1-CD2 4.4Å; L367-L867 HydrophobicContact CD2-CD1 3.32Å; L367-L867 HydrophobicContact CD2-CD2 4.46Å; L367-L867 HydrophobicContact CD2-CG 3.86Å; V370-L867 HydrophobicContact CG1-CD1 4.39Å; E402-L867 HydrophobicContact CB-CB 4.47Å; E402-L867 HydrophobicContact CB-CD2 3.72Å; E402-L867 HydrophobicContact CG-CD2 3.58Å; E402-L867 VanDerWaalsContact OE1-CD2 3.27Å; E402-L867 WeakPolarHBondContact OE1-CD2 3.37Å; N863-L867 VanDerWaalsContact O-CB 3.28Å; N863-L867 WeakPolarHBondContact O-CB 3.42Å; N863-L867 PolarHBondContact O-N 2.85Å; Y864-L867 PolarHBondContact O-N 2.73Å; L867-K869 PolarHBondContact O-N 2.96Å; L867-L870 WeakPolarHBondContact O-CB 3.36Å; L867-L870 PolarHBondContact O-N 3.13Å; L867-I871 HydrophobicContact CG-CD1 4.08Å; L867-I871 WeakPolarHBondContact O-CD1 3.28Å; L867-I871 VanDerWaalsContact O-CG1 3.27Å; L867-I871 WeakPolarHBondContact O-CG1 3.44Å; L867-I871 PolarHBondContact O-N 3.45Å
868T91.9Very high92.4Very high2 Ų26.6 Ų6.61%0.0123%0.029CC..Hα-helixtrans-61.4-44.9178.8510000111.9Y864 N865 I871 L872 F948Y864-T868 HydrophobicContact CD1-CG2 4.4Å; Y864-T868 HydrophobicContact CD2-CG2 4.22Å; Y864-T868 HydrophobicContact CE1-CG2 4.05Å; Y864-T868 HydrophobicContact CE2-CG2 3.84Å; Y864-T868 HydrophobicContact CG-CG2 4.48Å; Y864-T868 WeakPolarHBondContact O-CB 3.34Å; Y864-T868 VanDerWaalsContact O-CG2 3.24Å; Y864-T868 WeakPolarHBondContact O-CG2 3.49Å; Y864-T868 PolarHBondContact O-N 2.95Å; Y864-T868 PolarHBondContact O-OG1 3.21Å; N865-T868 PolarHBondContact O-OG1 3.11Å; N865-T868 VanDerWaalsContact O-OG1 3.11Å; T868-I871 PolarHBondContact O-N 2.94Å; T868-L872 VanDerWaalsContact O-CG 3.3Å; T868-L872 WeakPolarHBondContact O-CG 3.43Å; T868-L872 PolarHBondContact O-N 3.38Å; T868-L872 VanDerWaalsContact O-N 3.1Å; T868-F948 HydrophobicContact CG2-CB 3.55Å; T868-F948 HydrophobicContact CG2-CD2 4.15Å; T868-F948 HydrophobicContact CG2-CG 3.86Å
869K91.6Very high92.3Very high48 Ų486.6 Ų6.621%0.2093%0.03CC..Hα-helixtrans-62.5-42.6173.2-74.2-177.5-175-175.80112.4N865 L867 I871 L872 Y873 L920 D924 E1011 T1013N865-K869 WeakPolarHBondContact O-CB 3.27Å; N865-K869 WeakPolarHBondContact O-CG 3.45Å; N865-K869 PolarHBondContact O-N 3.38Å; L867-K869 PolarHBondContact O-N 2.96Å; K869-I871 PolarHBondContact O-N 3.44Å; K869-L872 PolarHBondContact O-N 3.38Å; K869-Y873 VanDerWaalsContact O-CB 3.27Å; K869-Y873 WeakPolarHBondContact O-CB 3.42Å; K869-Y873 PolarHBondContact O-N 2.68Å; K869-L920 HydrophobicContact CB-CD2 3.29Å; K869-L920 HydrophobicContact CB-CG 4.43Å; K869-L920 HydrophobicContact CD-CD2 4.19Å; K869-L920 HydrophobicContact CG-CD2 4.43Å; K869-D924 IonicContact NZ-OD2 3.39Å; K869-D924 PolarHBondContact NZ-OD2 3.4Å; K869-E1011 PolarHBondContact NZ-O 3.39Å; K869-T1013 PolarHBondContact NZ-OG1 3.13Å
870L93.3Very high92.2Very high0 Ų05.8 Ų5.80%03%0.026CC..Hα-helixtrans-58.8-46.7177.6177165.3000111.2L363 L367 V370 R866 L867 S874 P917 L920L363-L870 HydrophobicContact CD1-CD2 3.84Å; L367-L870 HydrophobicContact CD2-CD2 3.72Å; L367-L870 HydrophobicContact CG-CD2 4.37Å; V370-L870 HydrophobicContact CB-CD1 4.31Å; V370-L870 HydrophobicContact CG1-CD1 4.33Å; V370-L870 HydrophobicContact CG2-CD1 3.76Å; R866-L870 WeakPolarHBondContact O-CB 3.02Å; R866-L870 PolarHBondContact O-N 3.36Å; L867-L870 WeakPolarHBondContact O-CB 3.36Å; L867-L870 PolarHBondContact O-N 3.13Å; L870-S874 VanDerWaalsContact O-CB 3.28Å; L870-S874 WeakPolarHBondContact O-CB 3.26Å; L870-S874 PolarHBondContact O-N 3.11Å; L870-S874 PolarHBondContact O-OG 3.31Å; L870-P917 VanDerWaalsContact CD1-O 3.31Å; L870-P917 WeakPolarHBondContact CD1-O 3.17Å; L870-P917 HydrophobicContact CG-CB 4.09Å; L870-L920 HydrophobicContact CB-CD2 4.25Å
871I92.2Very high92.1Very high1 Ų15.8 Ų5.81%0.0053%0.026CC..Hα-helixtrans-61.8-51.1-179.8-67.5162.1000110.3V247 T251 L363 L367 L867 T868 K869 Y873 S874 F875 F948V247-I871 HydrophobicContact CG1-CD1 3.57Å; T251-I871 HydrophobicContact CG2-CG2 4.13Å; L363-I871 HydrophobicContact CD1-CG1 4.32Å; L367-I871 HydrophobicContact CD1-CG1 4.41Å; L367-I871 HydrophobicContact CD2-CD1 4.08Å; L367-I871 HydrophobicContact CD2-CG1 3.68Å; L867-I871 HydrophobicContact CG-CD1 4.08Å; L867-I871 WeakPolarHBondContact O-CD1 3.28Å; L867-I871 VanDerWaalsContact O-CG1 3.27Å; L867-I871 WeakPolarHBondContact O-CG1 3.44Å; L867-I871 PolarHBondContact O-N 3.45Å; T868-I871 PolarHBondContact O-N 2.94Å; K869-I871 PolarHBondContact O-N 3.44Å; I871-Y873 PolarHBondContact O-N 3.45Å; I871-S874 PolarHBondContact O-N 2.86Å; I871-F875 HydrophobicContact CG2-CD2 3.79Å; I871-F875 HydrophobicContact CG2-CE2 3.41Å; I871-F875 VanDerWaalsContact CG2-CE2 3.41Å; I871-F875 HydrophobicContact CG2-CZ 4.43Å; I871-F875 VanDerWaalsContact O-CD2 3.25Å; I871-F875 WeakPolarHBondContact O-CD2 3.42Å; I871-F875 PolarHBondContact O-N 3.26Å; I871-F948 HydrophobicContact CB-CE2 4.23Å; I871-F948 HydrophobicContact CD1-CZ 4.43Å; I871-F948 HydrophobicContact CG2-CE2 3.83Å; I871-F948 HydrophobicContact CG2-CZ 3.93Å
872L92.9Very high91.8Very high7 Ų75.9 Ų5.94%0.0373%0.025CC..Hα-helixtrans-60.9-44.9-179.5-69169.7000112T868 K869 S874 F875 Y876 F948 V952 F953 W956T868-L872 VanDerWaalsContact O-CG 3.3Å; T868-L872 WeakPolarHBondContact O-CG 3.43Å; T868-L872 PolarHBondContact O-N 3.38Å; T868-L872 VanDerWaalsContact O-N 3.1Å; K869-L872 PolarHBondContact O-N 3.38Å; L872-S874 VanDerWaalsContact C-N 3.34Å; L872-S874 PolarHBondContact O-N 3.04Å; L872-F875 PolarHBondContact O-N 3.3Å; L872-Y876 WeakPolarHBondContact O-CB 3.46Å; L872-Y876 PolarHBondContact O-N 3.22Å; L872-F948 HydrophobicContact CD1-CD2 4.18Å; L872-F948 HydrophobicContact CD2-CD2 4.17Å; L872-F948 HydrophobicContact CD2-CE2 4.05Å; L872-F948 HydrophobicContact CG-CD2 4.03Å; L872-F948 HydrophobicContact CG-CE2 4.08Å; L872-V952 HydrophobicContact CD1-CG1 3.77Å; L872-V952 HydrophobicContact CD2-CG1 4.49Å; L872-F953 HydrophobicContact CD2-CB 4.29Å; L872-F953 HydrophobicContact CD2-CD2 4.31Å; L872-W956 HydrophobicContact CB-CD2 4.09Å; L872-W956 HydrophobicContact CB-CG 4.19Å; L872-W956 HydrophobicContact CB-CZ2 4.4Å; L872-W956 HydrophobicContact CD2-CG 4.45Å
873Y93.8Very high91.6Very high1 Ų15.6 Ų5.60%0.0043%0.026CC..Hα-helixtrans-62.7-39.9176.2175.3-101.6000112.2K869 I871 Y876 K877 P916 P917 V1004 A1008K869-Y873 VanDerWaalsContact O-CB 3.27Å; K869-Y873 WeakPolarHBondContact O-CB 3.42Å; K869-Y873 PolarHBondContact O-N 2.68Å; I871-Y873 PolarHBondContact O-N 3.45Å; Y873-Y876 HydrophobicContact CD2-CD1 4.09Å; Y873-Y876 HydrophobicContact CE2-CD1 4.25Å; Y873-Y876 HydrophobicContact CE2-CE1 4.33Å; Y873-Y876 PolarHBondContact O-N 2.87Å; Y873-K877 HydrophobicContact CD1-CD 4.3Å; Y873-K877 HydrophobicContact CE1-CD 3.84Å; Y873-K877 PolarHBondContact O-N 2.87Å; Y873-P916 HydrophobicContact CE1-CB 4.38Å; Y873-P917 HydrophobicContact CD1-CB 4Å; Y873-P917 HydrophobicContact CD1-CG 3.82Å; Y873-P917 HydrophobicContact CE1-CB 4.26Å; Y873-P917 HydrophobicContact CE1-CG 3.63Å; Y873-V1004 HydrophobicContact CE2-CG1 4.32Å; Y873-V1004 WeakPolarHBondContact OH-CG1 3.35Å; Y873-V1004 PolarHBondContact OH-O 2.93Å; Y873-A1008 HydrophobicContact CD2-CB 4.43Å; Y873-A1008 HydrophobicContact CE1-CB 4.24Å; Y873-A1008 HydrophobicContact CE2-CB 3.65Å; Y873-A1008 WeakPolarHBondContact OH-CB 3.46Å
874S91.1Very high91.6Very high0 Ų05.5 Ų5.50%03%0.025CC..Hα-helixtrans-67.3-35.8179.7-63.50000112.9L870 I871 L872 K877 N878L870-S874 VanDerWaalsContact O-CB 3.28Å; L870-S874 WeakPolarHBondContact O-CB 3.26Å; L870-S874 PolarHBondContact O-N 3.11Å; L870-S874 PolarHBondContact O-OG 3.31Å; I871-S874 PolarHBondContact O-N 2.86Å; L872-S874 VanDerWaalsContact C-N 3.34Å; L872-S874 PolarHBondContact O-N 3.04Å; S874-K877 WeakPolarHBondContact O-CG 3.3Å; S874-N878 PolarHBondContact O-N 3.3Å; S874-N878 PolarHBondContact O-ND2 2.93Å
875F90.9Very high91.3Very high1 Ų15.6 Ų5.60%0.0043%0.026CC..Hα-helixtrans-67.2-48.5170.2-73-56.1000111.2T251 I255 L258 P360 L363 I871 L872 K877 N878 V879 F953 I957T251-F875 HydrophobicContact CG2-CE2 4.25Å; T251-F875 HydrophobicContact CG2-CZ 4.06Å; I255-F875 HydrophobicContact CG1-CE1 3.99Å; I255-F875 HydrophobicContact CG1-CZ 3.81Å; L258-F875 HydrophobicContact CD1-CD1 3.19Å; L258-F875 HydrophobicContact CD1-CE1 3.44Å; L258-F875 VanDerWaalsContact CD1-CE1 3.44Å; L258-F875 HydrophobicContact CD1-CG 4.03Å; L258-F875 HydrophobicContact CD1-CZ 4.42Å; P360-F875 HydrophobicContact CG-CD1 3.87Å; P360-F875 HydrophobicContact CG-CE1 3.84Å; L363-F875 HydrophobicContact CD2-CE1 4.08Å; L363-F875 HydrophobicContact CD2-CE2 4.25Å; L363-F875 HydrophobicContact CD2-CZ 3.79Å; I871-F875 HydrophobicContact CG2-CD2 3.79Å; I871-F875 HydrophobicContact CG2-CE2 3.41Å; I871-F875 VanDerWaalsContact CG2-CE2 3.41Å; I871-F875 HydrophobicContact CG2-CZ 4.43Å; I871-F875 VanDerWaalsContact O-CD2 3.25Å; I871-F875 WeakPolarHBondContact O-CD2 3.42Å; I871-F875 PolarHBondContact O-N 3.26Å; L872-F875 PolarHBondContact O-N 3.3Å; F875-K877 PolarHBondContact O-N 2.86Å; F875-N878 PolarHBondContact O-N 3.27Å; F875-V879 VanDerWaalsContact O-CG2 3.31Å; F875-V879 WeakPolarHBondContact O-CG2 3.49Å; F875-V879 PolarHBondContact O-N 3.42Å; F875-F953 HydrophobicContact CB-CE2 4.35Å; F875-F953 HydrophobicContact CD2-CD2 4.3Å; F875-F953 AromaticContact CD2-CE2 3.81Å; F875-F953 HydrophobicContact CD2-CE2 3.81Å; F875-F953 HydrophobicContact CE2-CE2 4.23Å; F875-F953 HydrophobicContact CG-CE2 4.07Å; F875-I957 HydrophobicContact CB-CD1 4.38Å
876Y93.8Very high91.1Very high0 Ų06.1 Ų6.10%03%0.028CC..Hα-helixtrans-54.4-50.3179156-89.9000112.4L872 Y873 N878 V879 C880 W956 S960 H963 V1004 K1007L872-Y876 WeakPolarHBondContact O-CB 3.46Å; L872-Y876 PolarHBondContact O-N 3.22Å; Y873-Y876 HydrophobicContact CD2-CD1 4.09Å; Y873-Y876 HydrophobicContact CE2-CD1 4.25Å; Y873-Y876 HydrophobicContact CE2-CE1 4.33Å; Y873-Y876 PolarHBondContact O-N 2.87Å; Y876-N878 VanDerWaalsContact C-N 3.3Å; Y876-N878 PolarHBondContact O-N 3.46Å; Y876-V879 PolarHBondContact O-N 3.49Å; Y876-C880 VanDerWaalsContact O-CB 3.25Å; Y876-C880 WeakPolarHBondContact O-CB 3.37Å; Y876-C880 PolarHBondContact O-N 3.31Å; Y876-W956 HydrophobicContact CD2-CE3 4.36Å; Y876-W956 AromaticContact CG-CE3 3.98Å; Y876-W956 HydrophobicContact CG-CE3 3.98Å; Y876-W956 HydrophobicContact CG-CZ3 4.31Å; Y876-S960 PolarHBondContact O-OG 2.91Å; Y876-H963 AromaticContact CE2-ND1 3.64Å; Y876-H963 AromaticContact CZ-ND1 3.57Å; Y876-H963 PolarHBondContact OH-ND1 2.85Å; Y876-V1004 HydrophobicContact CE1-CG2 4.29Å; Y876-K1007 HydrophobicContact CD1-CG 4.45Å; Y876-K1007 HydrophobicContact CE1-CB 4.23Å; Y876-K1007 HydrophobicContact CE1-CG 3.66Å
877K92.9Very high91.1Very high1 Ų17.5 Ų7.50%0.0043%0.033CC..Hα-helixtrans-64.6-32.6-175.778.5-175.6-173.678.30113.5Y873 S874 F875 L881 Y908 N909 T913 P917 V1004Y873-K877 HydrophobicContact CD1-CD 4.3Å; Y873-K877 HydrophobicContact CE1-CD 3.84Å; Y873-K877 PolarHBondContact O-N 2.87Å; S874-K877 WeakPolarHBondContact O-CG 3.3Å; F875-K877 PolarHBondContact O-N 2.86Å; K877-L881 PolarHBondContact O-N 3.21Å; K877-Y908 PolarHBondContact O-OH 3.38Å; K877-N909 PolarHBondContact NZ-OD1 2.55Å; K877-T913 PolarHBondContact NZ-OG1 3.04Å; K877-P917 HydrophobicContact CD-CG 4.21Å; K877-V1004 HydrophobicContact CB-CG1 3.61Å
878N89.8Confident91Very high0 Ų08.5 Ų8.50%04%0.037CC..Hα-helixtrans-77.3-50.9180-83.4-86.1000110.4T357 P360 S874 F875 Y876 C880 L881 Y882 N909T357-N878 PolarHBondContact O-OD1 3.19Å; P360-N878 HydrophobicContact CB-CB 4.41Å; P360-N878 WeakPolarHBondContact CB-ND2 3.45Å; S874-N878 PolarHBondContact O-N 3.3Å; S874-N878 PolarHBondContact O-ND2 2.93Å; F875-N878 PolarHBondContact O-N 3.27Å; Y876-N878 VanDerWaalsContact C-N 3.3Å; Y876-N878 PolarHBondContact O-N 3.46Å; N878-C880 PolarHBondContact O-N 3.33Å; N878-C880 VanDerWaalsContact O-N 3.14Å; N878-L881 PolarHBondContact O-N 2.93Å; N878-Y882 HydrophobicContact CB-CD2 4.37Å; N878-Y882 HydrophobicContact CB-CE2 4.44Å; N878-Y882 WeakPolarHBondContact O-CD2 3.25Å; N878-Y882 PolarHBondContact O-N 3.25Å; N878-Y882 VanDerWaalsContact O-N 3.08Å; N878-N909 PolarHBondContact ND2-OD1 3.16Å; N878-N909 VanDerWaalsContact OD1-CG 3.25Å; N878-N909 PolarHBondContact OD1-ND2 3.46Å; N878-N909 PolarHBondContact OD1-OD1 3.16Å
879V90.8Very high90.7Very high2 Ų28.5 Ų8.51%0.0124%0.037CC..Hα-helixtrans-56.4-34.9176.4178.60000110.7L258 M358 F875 Y876 L883 I957 S960L258-V879 HydrophobicContact CD2-CG2 4.12Å; M358-V879 HydrophobicContact CE-CG1 4.21Å; M358-V879 HydrophobicContact CE-CG2 3.98Å; M358-V879 HydrophobicContact CG-CG2 3.88Å; F875-V879 VanDerWaalsContact O-CG2 3.31Å; F875-V879 WeakPolarHBondContact O-CG2 3.49Å; F875-V879 PolarHBondContact O-N 3.42Å; Y876-V879 PolarHBondContact O-N 3.49Å; V879-L883 VanDerWaalsContact O-CB 3.22Å; V879-L883 WeakPolarHBondContact O-CB 3.41Å; V879-L883 PolarHBondContact O-N 2.91Å; V879-I957 HydrophobicContact CG2-CD1 4.02Å; V879-S960 VanDerWaalsContact CB-OG 3.27Å; V879-S960 WeakPolarHBondContact CB-OG 3.43Å; V879-S960 WeakPolarHBondContact CG1-OG 3.48Å
880C92.9Very high90.6Very high0 Ų09.2 Ų9.20%04%0.043CC..Hα-helixtrans-66.3-46-177.1-1750000112Y876 N878 I884 S960 S964Y876-C880 VanDerWaalsContact O-CB 3.25Å; Y876-C880 WeakPolarHBondContact O-CB 3.37Å; Y876-C880 PolarHBondContact O-N 3.31Å; N878-C880 PolarHBondContact O-N 3.33Å; N878-C880 VanDerWaalsContact O-N 3.14Å; C880-I884 WeakPolarHBondContact O-CG1 3.44Å; C880-S960 WeakPolarHBondContact CA-OG 3.39Å; C880-S960 WeakPolarHBondContact CB-OG 3.36Å; C880-S960 PolarHBondContact N-OG 2.72Å; C880-S964 WeakPolarHBondContact O-CB 3.31Å
881L89.8Confident90.3Very high0 Ų013.2 Ų13.20%06%0.064CC..Hα-helixtrans-69.8-44.2177.8-178.771.6000111.8K877 N878 I884 F900 Y908 Y997 V1000K877-L881 PolarHBondContact O-N 3.21Å; N878-L881 PolarHBondContact O-N 2.93Å; L881-I884 WeakPolarHBondContact O-CB 3.44Å; L881-I884 PolarHBondContact O-N 3.35Å; L881-F900 HydrophobicContact CD1-CD2 4.18Å; L881-F900 HydrophobicContact CD1-CE2 3.5Å; L881-F900 HydrophobicContact CD1-CZ 3.71Å; L881-F900 HydrophobicContact CG-CE2 4.09Å; L881-Y908 HydrophobicContact CB-CD1 4.48Å; L881-Y908 HydrophobicContact CB-CE1 3.96Å; L881-Y908 HydrophobicContact CD2-CD1 3.4Å; L881-Y908 VanDerWaalsContact CD2-CD1 3.4Å; L881-Y908 HydrophobicContact CD2-CD2 3.84Å; L881-Y908 HydrophobicContact CD2-CE1 3.74Å; L881-Y908 HydrophobicContact CD2-CE2 4.16Å; L881-Y908 HydrophobicContact CD2-CG 3.44Å; L881-Y908 VanDerWaalsContact CD2-CG 3.44Å; L881-Y908 HydrophobicContact CG-CE1 4.45Å; L881-Y997 HydrophobicContact CD1-CD2 3.96Å; L881-Y997 HydrophobicContact CD1-CE2 4.13Å; L881-Y997 HydrophobicContact CD2-CE2 4.3Å; L881-V1000 HydrophobicContact CB-CG1 4.31Å; L881-V1000 HydrophobicContact CD1-CB 4.42Å; L881-V1000 HydrophobicContact CD1-CG1 3.94Å; L881-V1000 HydrophobicContact CD1-CG2 4.48Å
882Y85.3Confident89.9Confident5 Ų514.6 Ų14.62%0.027%0.074CC..Hα-helixtrans-80.4-25.6-170.1-65-63.3000113.4T357 N878 I884 Q885 I905T357-Y882 VanDerWaalsContact C-CD2 3.42Å; T357-Y882 VanDerWaalsContact CB-CE1 3.48Å; T357-Y882 WeakPolarHBondContact CB-OH 3.41Å; T357-Y882 HydrophobicContact CG2-CE1 4.14Å; T357-Y882 HydrophobicContact CG2-CE2 4.44Å; T357-Y882 WeakPolarHBondContact O-CD2 3.23Å; T357-Y882 WeakPolarHBondContact O-CE2 3.29Å; T357-Y882 WeakPolarHBondContact OG1-CD1 3.48Å; T357-Y882 WeakPolarHBondContact OG1-CE1 3.4Å; T357-Y882 WeakPolarHBondContact OG1-CE2 3.28Å; N878-Y882 HydrophobicContact CB-CD2 4.37Å; N878-Y882 HydrophobicContact CB-CE2 4.44Å; N878-Y882 WeakPolarHBondContact O-CD2 3.25Å; N878-Y882 PolarHBondContact O-N 3.25Å; N878-Y882 VanDerWaalsContact O-N 3.08Å; Y882-I884 PolarHBondContact O-N 2.86Å; Y882-Q885 WeakPolarHBondContact O-CB 3.49Å; Y882-Q885 PolarHBondContact O-N 2.81Å; Y882-Q885 VanDerWaalsContact O-N 3.15Å; Y882-I905 HydrophobicContact CE1-CG2 3.75Å; Y882-I905 PolarHBondContact OH-O 3.3Å
883L90Very high89.4Confident18 Ų1814.4 Ų14.49%0.0947%0.073CC..Hα-helixtrans-68.2-21.5171.7-159.967.6000112.5L265 V879 Q885 F886 W887 I961 S964L265-L883 HydrophobicContact CD1-CD1 4.27Å; V879-L883 VanDerWaalsContact O-CB 3.22Å; V879-L883 WeakPolarHBondContact O-CB 3.41Å; V879-L883 PolarHBondContact O-N 2.91Å; L883-Q885 VanDerWaalsContact C-N 3.27Å; L883-Q885 PolarHBondContact O-N 3.38Å; L883-F886 HydrophobicContact CD1-CB 4.01Å; L883-F886 HydrophobicContact CD1-CD1 4.13Å; L883-F886 HydrophobicContact CD1-CG 4.24Å; L883-F886 WeakPolarHBondContact O-CB 3.42Å; L883-F886 PolarHBondContact O-N 3Å; L883-F886 VanDerWaalsContact O-N 3.1Å; L883-W887 HydrophobicContact CD2-CZ2 3.86Å; L883-W887 HydrophobicContact CG-CZ2 4.2Å; L883-W887 PolarHBondContact O-N 3.41Å; L883-I961 HydrophobicContact CD2-CB 3.98Å; L883-I961 HydrophobicContact CD2-CG1 3.66Å; L883-I961 HydrophobicContact CD2-CG2 3.92Å; L883-S964 WeakPolarHBondContact CD2-OG 3.49Å
884I91.7Very high88.8Confident0 Ų015.4 Ų15.40%08%0.078CC..Hα-helixtrans-62.6-36.1171.5-66.1171.6000111.6C880 L881 Y882 F886 W887 F888 F900 L967 F968 V996 V1000C880-I884 WeakPolarHBondContact O-CG1 3.44Å; L881-I884 WeakPolarHBondContact O-CB 3.44Å; L881-I884 PolarHBondContact O-N 3.35Å; Y882-I884 PolarHBondContact O-N 2.86Å; I884-F886 VanDerWaalsContact C-N 3.27Å; I884-F886 PolarHBondContact O-N 2.98Å; I884-W887 PolarHBondContact O-N 3.41Å; I884-F888 PolarHBondContact O-N 3.1Å; I884-F900 HydrophobicContact CB-CZ 4.4Å; I884-F900 HydrophobicContact CG2-CE2 4.36Å; I884-F900 HydrophobicContact CG2-CZ 3.9Å; I884-L967 HydrophobicContact CD1-CB 4.19Å; I884-F968 HydrophobicContact CG1-CB 4.29Å; I884-F968 HydrophobicContact CG2-CB 4.07Å; I884-F968 HydrophobicContact CG2-CD2 3.59Å; I884-F968 HydrophobicContact CG2-CE2 4.4Å; I884-F968 HydrophobicContact CG2-CG 4.12Å; I884-V996 HydrophobicContact CD1-CG1 4Å; I884-V996 HydrophobicContact CG2-CG1 3.97Å; I884-V1000 HydrophobicContact CD1-CG2 3.26Å
885Q86.3Confident88Confident2 Ų218 Ų181%0.00910%0.095CC..Hα-helixtrans-66.2-34.1174.6-60.6-17138.800111.4M354 Y882 L883 F888 A889 F900M354-Q885 VanDerWaalsContact CG-OE1 3.28Å; Y882-Q885 WeakPolarHBondContact O-CB 3.49Å; Y882-Q885 PolarHBondContact O-N 2.81Å; Y882-Q885 VanDerWaalsContact O-N 3.15Å; L883-Q885 VanDerWaalsContact C-N 3.27Å; L883-Q885 PolarHBondContact O-N 3.38Å; Q885-F888 PolarHBondContact O-N 3.45Å; Q885-A889 WeakPolarHBondContact O-CB 3.23Å; Q885-A889 PolarHBondContact O-N 3.33Å; Q885-F900 HydrophobicContact CG-CD2 4.36Å; Q885-F900 HydrophobicContact CG-CE2 4.29Å
886F88.4Confident87.1Confident22 Ų2218.2 Ų18.210%0.09610%0.099CC..Hα-helixtrans-65.2-44.4172.4175.9-96.1000111.7L265 F268 T269 Y355 L883 I884 F888 A889 I890L265-F886 HydrophobicContact CD2-CD2 3.99Å; L265-F886 HydrophobicContact CD2-CE2 3.79Å; L265-F886 HydrophobicContact CD2-CZ 4.17Å; F268-F886 AromaticContact CD1-CE2 3.79Å; F268-F886 HydrophobicContact CD1-CE2 3.79Å; F268-F886 HydrophobicContact CD1-CZ 4.04Å; F268-F886 HydrophobicContact CE1-CE2 4.06Å; F268-F886 AromaticContact CE1-CZ 3.93Å; F268-F886 HydrophobicContact CE1-CZ 3.93Å; T269-F886 HydrophobicContact CG2-CD2 4.04Å; T269-F886 HydrophobicContact CG2-CE2 4.03Å; Y355-F886 HydrophobicContact CE1-CB 3.73Å; Y355-F886 HydrophobicContact CE1-CD2 4.42Å; Y355-F886 AromaticContact CZ-CD2 3.92Å; Y355-F886 WeakPolarHBondContact OH-CA 3.28Å; Y355-F886 WeakPolarHBondContact OH-CD2 3.25Å; L883-F886 HydrophobicContact CD1-CB 4.01Å; L883-F886 HydrophobicContact CD1-CD1 4.13Å; L883-F886 HydrophobicContact CD1-CG 4.24Å; L883-F886 WeakPolarHBondContact O-CB 3.42Å; L883-F886 PolarHBondContact O-N 3Å; L883-F886 VanDerWaalsContact O-N 3.1Å; I884-F886 VanDerWaalsContact C-N 3.27Å; I884-F886 PolarHBondContact O-N 2.98Å; F886-F888 VanDerWaalsContact C-N 3.29Å; F886-F888 PolarHBondContact O-N 3.42Å; F886-A889 WeakPolarHBondContact O-CB 3.47Å; F886-A889 PolarHBondContact O-N 3.47Å; F886-A889 VanDerWaalsContact O-N 3.14Å; F886-I890 HydrophobicContact CE1-CD1 4.14Å; F886-I890 PolarHBondContact O-N 3.13Å
887W91.4Very high86.5Confident47 Ų4722.9 Ų22.918%0.17812%0.121CC..Hα-helixtrans-60.6-39.6175.4-58.2132.6000112.2L883 I884 I890 I961 S964 F968L883-W887 HydrophobicContact CD2-CZ2 3.86Å; L883-W887 HydrophobicContact CG-CZ2 4.2Å; L883-W887 PolarHBondContact O-N 3.41Å; I884-W887 PolarHBondContact O-N 3.41Å; W887-I890 HydrophobicContact CE3-CD1 3.88Å; W887-I890 HydrophobicContact CZ3-CD1 4.26Å; W887-I890 WeakPolarHBondContact O-CB 3.49Å; W887-I890 PolarHBondContact O-N 2.71Å; W887-I961 HydrophobicContact CZ2-CG2 4.36Å; W887-S964 PolarHBondContact NE1-OG 3.4Å; W887-F968 HydrophobicContact CB-CB 4.41Å; W887-F968 HydrophobicContact CB-CD1 3.32Å; W887-F968 HydrophobicContact CB-CE1 3.62Å; W887-F968 HydrophobicContact CB-CG 3.9Å; W887-F968 HydrophobicContact CB-CZ 4.42Å; W887-F968 HydrophobicContact CG-CD1 4.19Å
888F90.1Very high86.1Confident21 Ų2123.8 Ų23.89%0.09213%0.125CC..Hα-helixtrans-69.1-35174-179.4-108000113.4I884 Q885 F886 I890 L891 S892 Q897 V899 F968 L989I884-F888 PolarHBondContact O-N 3.1Å; Q885-F888 PolarHBondContact O-N 3.45Å; F886-F888 VanDerWaalsContact C-N 3.29Å; F886-F888 PolarHBondContact O-N 3.42Å; F888-I890 PolarHBondContact O-N 3.05Å; F888-L891 PolarHBondContact O-N 2.83Å; F888-S892 PolarHBondContact O-N 3.09Å; F888-S892 PolarHBondContact O-OG 3.45Å; F888-Q897 WeakPolarHBondContact CD1-O 3.29Å; F888-Q897 HydrophobicContact CE1-CB 4Å; F888-Q897 HydrophobicContact CE1-CG 3.79Å; F888-Q897 WeakPolarHBondContact CE1-O 3.43Å; F888-Q897 HydrophobicContact CZ-CG 4.24Å; F888-V899 HydrophobicContact CB-CG2 3.3Å; F888-V899 HydrophobicContact CD1-CG2 3.2Å; F888-V899 HydrophobicContact CD2-CG2 3.57Å; F888-V899 HydrophobicContact CE1-CG2 3.8Å; F888-V899 HydrophobicContact CE2-CG2 4.13Å; F888-V899 HydrophobicContact CG-CG2 3.04Å; F888-V899 HydrophobicContact CZ-CG2 4.23Å; F888-F968 HydrophobicContact CB-CE2 3.88Å; F888-F968 HydrophobicContact CB-CZ 3.8Å; F888-F968 HydrophobicContact CD2-CE2 4.23Å; F888-F968 HydrophobicContact CD2-CZ 4.1Å; F888-F968 HydrophobicContact CG-CZ 4.48Å; F888-L989 HydrophobicContact CE2-CD1 3.55Å; F888-L989 HydrophobicContact CZ-CD1 3.64Å; F888-L989 HydrophobicContact CZ-CD2 3.91Å; F888-L989 HydrophobicContact CZ-CG 4.44Å
889A85.8Confident86Confident2 Ų223.9 Ų23.92%0.01713%0.126CC..Hα-helixtrans-57.8-32.9176.900000112.1M354 Q885 F886 L891 S892 G893 F894M354-A889 HydrophobicContact CE-CB 4.37Å; Q885-A889 WeakPolarHBondContact O-CB 3.23Å; Q885-A889 PolarHBondContact O-N 3.33Å; F886-A889 WeakPolarHBondContact O-CB 3.47Å; F886-A889 PolarHBondContact O-N 3.47Å; F886-A889 VanDerWaalsContact O-N 3.14Å; A889-L891 VanDerWaalsContact C-N 3.27Å; A889-L891 PolarHBondContact O-N 3.38Å; A889-S892 WeakPolarHBondContact CA-OG 3.33Å; A889-S892 PolarHBondContact O-N 3.39Å; A889-G893 PolarHBondContact O-N 3.44Å; A889-F894 HydrophobicContact CB-CD1 3.91Å; A889-F894 HydrophobicContact CB-CE1 4.36Å; A889-F894 WeakPolarHBondContact O-CA 3.34Å; A889-F894 PolarHBondContact O-N 3.25Å
890I88.9Confident85.8Confident64 Ų6424 Ų2433%0.32813%0.126SC..Hα-helixtrans-61.5-37.2174.5-60.6171.9000111.3F886 W887 F888 F894F886-I890 HydrophobicContact CE1-CD1 4.14Å; F886-I890 PolarHBondContact O-N 3.13Å; W887-I890 HydrophobicContact CE3-CD1 3.88Å; W887-I890 HydrophobicContact CZ3-CD1 4.26Å; W887-I890 WeakPolarHBondContact O-CB 3.49Å; W887-I890 PolarHBondContact O-N 2.71Å; F888-I890 PolarHBondContact O-N 3.05Å; I890-F894 HydrophobicContact CB-CZ 4.33Å; I890-F894 HydrophobicContact CG1-CE1 4.08Å; I890-F894 HydrophobicContact CG1-CZ 3.9Å
891L87.9Confident85.5Confident83 Ų8324.7 Ų24.744%0.43513%0.129SC..Hα-helixtrans-83.7-31.5-179-58.1177.4000112.8F888 A889 G893 F968 W969 L972F888-L891 PolarHBondContact O-N 2.83Å; A889-L891 VanDerWaalsContact C-N 3.27Å; A889-L891 PolarHBondContact O-N 3.38Å; L891-G893 VanDerWaalsContact C-N 3.28Å; L891-G893 PolarHBondContact O-N 3.01Å; L891-F968 HydrophobicContact CD1-CE1 3.92Å; L891-F968 HydrophobicContact CD1-CZ 3.76Å; L891-W969 HydrophobicContact CD1-CZ3 4.49Å; L891-W969 HydrophobicContact CD2-CH2 4.13Å; L891-W969 HydrophobicContact CD2-CZ3 4.32Å; L891-W969 HydrophobicContact CG-CH2 4.49Å; L891-L972 HydrophobicContact CD1-CD1 4.16Å; L891-L972 HydrophobicContact CD1-CD2 3.38Å; L891-L972 HydrophobicContact CD1-CG 4.42Å
892S84.1Confident84.9Confident31 Ų3131.2 Ų31.222%0.21715%0.154CC..THydrogen-bonded Turntrans-8811.8-177.768.70000114F888 A889 F894 S895F888-S892 PolarHBondContact O-N 3.09Å; F888-S892 PolarHBondContact O-OG 3.45Å; A889-S892 WeakPolarHBondContact CA-OG 3.33Å; A889-S892 PolarHBondContact O-N 3.39Å; S892-F894 VanDerWaalsContact C-N 3.29Å; S892-F894 PolarHBondContact O-N 2.77Å; S892-S895 WeakPolarHBondContact O-CB 3.47Å; S892-S895 PolarHBondContact O-OG 3.18Å
893G81.5Confident84.6Confident3 Ų336.4 Ų36.43%0.03117%0.174CC..THydrogen-bonded Turntrans67.728.3-178.900000113.6N273 A889 L891 S895N273-G893 PolarHBondContact ND2-O 3.07Å; A889-G893 PolarHBondContact O-N 3.44Å; L891-G893 VanDerWaalsContact C-N 3.28Å; L891-G893 PolarHBondContact O-N 3.01Å; G893-S895 PolarHBondContact O-N 3.15Å
894F81.4Confident84.3Confident22 Ų2235.7 Ų35.710%0.09617%0.17CC..THydrogen-bonded Turntrans55.830.5-178.3-56.5-85.7000113.7F268 T269 A272 N273 A889 I890 S892 G896F268-F894 HydrophobicContact CD1-CE1 4.5Å; F268-F894 HydrophobicContact CE1-CE1 4.08Å; F268-F894 HydrophobicContact CE1-CZ 4.15Å; T269-F894 HydrophobicContact CG2-CD1 3.6Å; T269-F894 HydrophobicContact CG2-CE1 3.99Å; A272-F894 HydrophobicContact CB-CD1 4.06Å; A272-F894 HydrophobicContact CB-CD2 3.47Å; A272-F894 VanDerWaalsContact CB-CD2 3.47Å; A272-F894 HydrophobicContact CB-CE1 3.99Å; A272-F894 HydrophobicContact CB-CE2 3.41Å; A272-F894 VanDerWaalsContact CB-CE2 3.41Å; A272-F894 HydrophobicContact CB-CG 3.8Å; A272-F894 HydrophobicContact CB-CZ 3.66Å; N273-F894 HydrophobicContact CB-CB 3.73Å; N273-F894 PolarHBondContact ND2-O 3.18Å; A889-F894 HydrophobicContact CB-CD1 3.91Å; A889-F894 HydrophobicContact CB-CE1 4.36Å; A889-F894 WeakPolarHBondContact O-CA 3.34Å; A889-F894 PolarHBondContact O-N 3.25Å; I890-F894 HydrophobicContact CB-CZ 4.33Å; I890-F894 HydrophobicContact CG1-CE1 4.08Å; I890-F894 HydrophobicContact CG1-CZ 3.9Å; S892-F894 VanDerWaalsContact C-N 3.29Å; S892-F894 PolarHBondContact O-N 2.77Å; F894-G896 PolarHBondContact O-N 2.96Å
895S74.7Confident83.7Confident53 Ų5336 Ų3637%0.37117%0.171SC..  trans-71.4-10.5-175.551.60000115.1S892 G893S892-S895 WeakPolarHBondContact O-CB 3.47Å; S892-S895 PolarHBondContact O-OG 3.18Å; G893-S895 PolarHBondContact O-N 3.15Å
896G71.5Confident83.2Confident7 Ų737.1 Ų37.17%0.07218%0.184CC..  trans83.58.5-172.800000114.4F894 I898F894-G896 PolarHBondContact O-N 2.96Å; G896-I898 PolarHBondContact O-N 2.99Å
897Q82.3Confident82.9Confident98 Ų9837.7 Ų37.746%0.45819%0.187SC..  trans-63.7128.2175-179.262.232.100111.3F888 L989F888-Q897 WeakPolarHBondContact CD1-O 3.29Å; F888-Q897 HydrophobicContact CE1-CB 4Å; F888-Q897 HydrophobicContact CE1-CG 3.79Å; F888-Q897 WeakPolarHBondContact CE1-O 3.43Å; F888-Q897 HydrophobicContact CZ-CG 4.24Å; Q897-L989 HydrophobicContact CG-CD2 4.37Å
898I84.1Confident82.7Confident20 Ų2035.4 Ų35.410%0.10318%0.179CC..  trans-84.6142.1175.359.7177.8000111.4P52 G896 F900 R902 I905P52-I898 HydrophobicContact CB-CG2 4.15Å; G896-I898 PolarHBondContact O-N 2.99Å; I898-F900 VanDerWaalsContact CD1-O 3.29Å; I898-F900 WeakPolarHBondContact CD1-O 3.25Å; I898-F900 WeakPolarHBondContact CG1-O 3.42Å; I898-R902 HydrophobicContact CD1-CG 3.82Å; I898-I905 HydrophobicContact CB-CD1 4.46Å; I898-I905 HydrophobicContact CD1-CD1 4.37Å; I898-I905 HydrophobicContact CG2-CD1 4.47Å
899V87.4Confident82.2Confident2 Ų234.9 Ų34.91%0.01218%0.177CC..SBendtrans-80.9-37.4174.4177.70000111.7F888F888-V899 HydrophobicContact CB-CG2 3.3Å; F888-V899 HydrophobicContact CD1-CG2 3.2Å; F888-V899 HydrophobicContact CD2-CG2 3.57Å; F888-V899 HydrophobicContact CE1-CG2 3.8Å; F888-V899 HydrophobicContact CE2-CG2 4.13Å; F888-V899 HydrophobicContact CG-CG2 3.04Å; F888-V899 HydrophobicContact CZ-CG2 4.23Å
900F87.3Confident81.8Confident4 Ų438.9 Ų38.92%0.01820%0.201CC..SBendtrans-98.4150.6-175-51.1-57.1000109.9L881 I884 Q885 I898 I905 G993 V996 Y997L881-F900 HydrophobicContact CD1-CD2 4.18Å; L881-F900 HydrophobicContact CD1-CE2 3.5Å; L881-F900 HydrophobicContact CD1-CZ 3.71Å; L881-F900 HydrophobicContact CG-CE2 4.09Å; I884-F900 HydrophobicContact CB-CZ 4.4Å; I884-F900 HydrophobicContact CG2-CE2 4.36Å; I884-F900 HydrophobicContact CG2-CZ 3.9Å; Q885-F900 HydrophobicContact CG-CD2 4.36Å; Q885-F900 HydrophobicContact CG-CE2 4.29Å; I898-F900 VanDerWaalsContact CD1-O 3.29Å; I898-F900 WeakPolarHBondContact CD1-O 3.25Å; I898-F900 WeakPolarHBondContact CG1-O 3.42Å; F900-I905 HydrophobicContact CB-CD1 4.09Å; F900-I905 HydrophobicContact CB-CG1 3.68Å; F900-I905 HydrophobicContact CD2-CG1 4.37Å; F900-G993 WeakPolarHBondContact CD1-O 3.37Å; F900-G993 WeakPolarHBondContact CE1-O 3.25Å; F900-V996 HydrophobicContact CE1-CB 4.38Å; F900-V996 HydrophobicContact CE1-CG1 4.16Å; F900-V996 HydrophobicContact CZ-CG1 4.18Å; F900-Y997 HydrophobicContact CB-CD2 4.42Å; F900-Y997 AromaticContact CD1-CD2 3.65Å; F900-Y997 HydrophobicContact CD1-CD2 3.65Å; F900-Y997 HydrophobicContact CD1-CG 4.22Å; F900-Y997 HydrophobicContact CD2-CD2 4.4Å; F900-Y997 AromaticContact CE1-CD2 3.92Å; F900-Y997 HydrophobicContact CE1-CD2 3.92Å; F900-Y997 HydrophobicContact CE1-CG 4.33Å; F900-Y997 AromaticContact CG-CD2 3.9Å; F900-Y997 HydrophobicContact CG-CD2 3.9Å; F900-Y997 HydrophobicContact CZ-CD2 4.4Å
901E85.1Confident81.6Confident15 Ų1539.5 Ų39.57%0.0720%0.204CC..  trans-65.6148.7175.2-174.7-79146.200111.2W903 S904 I905 Y1037 M1050E901-W903 VanDerWaalsContact CD-N 3.31Å; E901-W903 PolarHBondContact O-N 3.31Å; E901-W903 PolarHBondContact OE1-N 3.45Å; E901-W903 VanDerWaalsContact OE1-N 3.1Å; E901-W903 WeakPolarHBondContact OE2-CB 3.44Å; E901-W903 PolarHBondContact OE2-N 3.05Å; E901-S904 WeakPolarHBondContact O-CB 3.42Å; E901-S904 PolarHBondContact O-N 3.31Å; E901-S904 PolarHBondContact OE2-N 3.36Å; E901-S904 PolarHBondContact OE2-OG 3.12Å; E901-I905 PolarHBondContact O-N 3.03Å; E901-Y1037 PolarHBondContact OE1-OH 3.01Å; E901-Y1037 PolarHBondContact OE2-OH 3.36Å; E901-M1050 HydrophobicContact CB-CE 3.8Å; E901-M1050 HydrophobicContact CB-CG 4.41Å; E901-M1050 HydrophobicContact CB-SD 4Å; E901-M1050 HydrophobicContact CG-CE 3.99Å; E901-M1050 HydrophobicContact CG-CG 3.88Å; E901-M1050 HydrophobicContact CG-SD 4.13Å
902R78.4Confident81.7Confident137 Ų13735.6 Ų35.652%0.51718%0.184SC..Hα-helixtrans-54-47.8-168.9-67.7178.5-177.7162.85113.7T53 I898T53-R902 WeakPolarHBondContact O-CB 3.37Å; I898-R902 HydrophobicContact CD1-CG 3.82Å
903W78.7Confident81.9Confident114 Ų11434.1 Ų34.143%0.43217%0.173SC..Hα-helixtrans-75.5-36.6179-73.4101.6000112.4E901 I905 G906 L907 Y1037 L1046E901-W903 VanDerWaalsContact CD-N 3.31Å; E901-W903 PolarHBondContact O-N 3.31Å; E901-W903 PolarHBondContact OE1-N 3.45Å; E901-W903 VanDerWaalsContact OE1-N 3.1Å; E901-W903 WeakPolarHBondContact OE2-CB 3.44Å; E901-W903 PolarHBondContact OE2-N 3.05Å; W903-I905 PolarHBondContact O-N 3.16Å; W903-G906 PolarHBondContact O-N 2.71Å; W903-L907 WeakPolarHBondContact O-CG 3.4Å; W903-L907 PolarHBondContact O-N 2.92Å; W903-Y1037 WeakPolarHBondContact CB-OH 3.48Å; W903-Y1037 VanDerWaalsContact CD1-OH 3.27Å; W903-L1046 HydrophobicContact CZ2-CD1 4.28Å
904S83.1Confident82.2Confident2 Ų235 Ų351%0.01418%0.18CC..Hα-helixtrans-56.5-34.7177.9-570000112.1E901 Y908 Y997E901-S904 WeakPolarHBondContact O-CB 3.42Å; E901-S904 PolarHBondContact O-N 3.31Å; E901-S904 PolarHBondContact OE2-N 3.36Å; E901-S904 PolarHBondContact OE2-OG 3.12Å; S904-Y908 PolarHBondContact O-N 3.12Å; S904-Y997 PolarHBondContact O-OH 3.27Å
905I79.7Confident82.6Confident6 Ų635.4 Ų35.43%0.03119%0.188CC..Hα-helixtrans-63.7-45.9173.3-66.6170000112.1T53 Y882 I898 F900 E901 W903T53-I905 HydrophobicContact CG2-CD1 4.41Å; Y882-I905 HydrophobicContact CE1-CG2 3.75Å; Y882-I905 PolarHBondContact OH-O 3.3Å; I898-I905 HydrophobicContact CB-CD1 4.46Å; I898-I905 HydrophobicContact CD1-CD1 4.37Å; I898-I905 HydrophobicContact CG2-CD1 4.47Å; F900-I905 HydrophobicContact CB-CD1 4.09Å; F900-I905 HydrophobicContact CB-CG1 3.68Å; F900-I905 HydrophobicContact CD2-CG1 4.37Å; E901-I905 PolarHBondContact O-N 3.03Å; W903-I905 PolarHBondContact O-N 3.16Å
906G74.6Confident83.5Confident26 Ų2632.9 Ų32.927%0.26817%0.17SC..Hα-helixtrans-68.9-40.2179.900000112.6W903 Y908W903-G906 PolarHBondContact O-N 2.71Å; G906-Y908 VanDerWaalsContact C-N 3.32Å; G906-Y908 PolarHBondContact O-N 3.1Å
907L83.4Confident84.4Confident34 Ų3432.5 Ų32.518%0.17817%0.167CC..Hα-helixtrans-72.6-22-178.1-64.6-179.1000113.6W903 N909 V910 I911 F912 F1033W903-L907 WeakPolarHBondContact O-CG 3.4Å; W903-L907 PolarHBondContact O-N 2.92Å; L907-N909 VanDerWaalsContact C-N 3.27Å; L907-N909 PolarHBondContact O-N 3.46Å; L907-V910 PolarHBondContact O-N 3.38Å; L907-I911 HydrophobicContact CD2-CD1 3.75Å; L907-I911 HydrophobicContact CD2-CG1 4.22Å; L907-I911 PolarHBondContact O-N 3.48Å; L907-F912 HydrophobicContact CB-CD2 4.33Å; L907-F912 HydrophobicContact CB-CE2 3.66Å; L907-F912 HydrophobicContact CB-CZ 4.11Å; L907-F912 HydrophobicContact CD1-CZ 4.46Å; L907-F912 PolarHBondContact O-N 3.41Å; L907-F1033 HydrophobicContact CD1-CD2 4.4Å; L907-F1033 HydrophobicContact CD1-CE2 3.51Å; L907-F1033 HydrophobicContact CD1-CZ 3.6Å
908Y85.8Confident84.8Confident0 Ų031.3 Ų31.30%016%0.162CC..Iπ-helixtrans-48.8-49.3176-179.8-110.9000112.8K877 L881 S904 G906 T913 Y997 V1000 V1001K877-Y908 PolarHBondContact O-OH 3.38Å; L881-Y908 HydrophobicContact CB-CD1 4.48Å; L881-Y908 HydrophobicContact CB-CE1 3.96Å; L881-Y908 HydrophobicContact CD2-CD1 3.4Å; L881-Y908 VanDerWaalsContact CD2-CD1 3.4Å; L881-Y908 HydrophobicContact CD2-CD2 3.84Å; L881-Y908 HydrophobicContact CD2-CE1 3.74Å; L881-Y908 HydrophobicContact CD2-CE2 4.16Å; L881-Y908 HydrophobicContact CD2-CG 3.44Å; L881-Y908 VanDerWaalsContact CD2-CG 3.44Å; L881-Y908 HydrophobicContact CG-CE1 4.45Å; S904-Y908 PolarHBondContact O-N 3.12Å; G906-Y908 VanDerWaalsContact C-N 3.32Å; G906-Y908 PolarHBondContact O-N 3.1Å; Y908-T913 HydrophobicContact CD2-CG2 3.86Å; Y908-T913 HydrophobicContact CE1-CG2 4.37Å; Y908-T913 HydrophobicContact CE2-CG2 3.38Å; Y908-T913 WeakPolarHBondContact O-CB 3.4Å; Y908-T913 PolarHBondContact O-N 3.35Å; Y908-T913 PolarHBondContact O-OG1 2.69Å; Y908-Y997 VanDerWaalsContact CA-OH 3.24Å; Y908-Y997 WeakPolarHBondContact CA-OH 3.38Å; Y908-Y997 WeakPolarHBondContact CB-OH 3.38Å; Y908-Y997 HydrophobicContact CD2-CE1 4.46Å; Y908-Y997 HydrophobicContact CD2-CE2 4.24Å; Y908-Y997 AromaticContact CD2-CZ 3.85Å; Y908-Y997 PolarHBondContact N-OH 2.72Å; Y908-V1000 HydrophobicContact CE2-CG1 4.26Å; Y908-V1001 HydrophobicContact CD2-CG2 4.26Å; Y908-V1001 HydrophobicContact CE2-CG2 4.17Å
909N80.3Confident85.1Confident10 Ų1030.6 Ų30.65%0.05316%0.159CC..Iπ-helixtrans-84.1-20.2-174.2-82.2-35.4000113.8K877 N878 L907K877-N909 PolarHBondContact NZ-OD1 2.55Å; N878-N909 PolarHBondContact ND2-OD1 3.16Å; N878-N909 VanDerWaalsContact OD1-CG 3.25Å; N878-N909 PolarHBondContact OD1-ND2 3.46Å; N878-N909 PolarHBondContact OD1-OD1 3.16Å; L907-N909 VanDerWaalsContact C-N 3.27Å; L907-N909 PolarHBondContact O-N 3.46Å
910V78.3Confident85.4Confident86 Ų8630.5 Ų30.552%0.52116%0.158SC..Iπ-helixtrans-98.4-41.9-173.6179.80000111.8L907 A914L907-V910 PolarHBondContact O-N 3.38Å; V910-A914 WeakPolarHBondContact O-CB 3.45Å
911I84.4Confident85.5Confident76 Ų7630.3 Ų30.339%0.3916%0.157SC..Iπ-helixtrans-110.1-62.4-174.2-58.4-174000110.3L907 T913 C1029L907-I911 HydrophobicContact CD2-CD1 3.75Å; L907-I911 HydrophobicContact CD2-CG1 4.22Å; L907-I911 PolarHBondContact O-N 3.48Å; I911-T913 PolarHBondContact O-N 2.83Å; I911-C1029 WeakPolarHBondContact CG2-SG 3.4Å
912F89.2Confident85.8Confident1 Ų130.2 Ų30.20%0.00416%0.157CC..Iπ-helixtrans-73.3-30.6-164.4-49.5-49.4000113.7L907 Y997 S1026 W1030 F1033L907-F912 HydrophobicContact CB-CD2 4.33Å; L907-F912 HydrophobicContact CB-CE2 3.66Å; L907-F912 HydrophobicContact CB-CZ 4.11Å; L907-F912 HydrophobicContact CD1-CZ 4.46Å; L907-F912 PolarHBondContact O-N 3.41Å; F912-Y997 HydrophobicContact CD2-CE1 4.07Å; F912-Y997 VanDerWaalsContact CD2-OH 3.25Å; F912-Y997 WeakPolarHBondContact CD2-OH 3.38Å; F912-Y997 HydrophobicContact CE2-CE1 4.42Å; F912-S1026 WeakPolarHBondContact O-CB 3.42Å; F912-S1026 PolarHBondContact O-OG 3.49Å; F912-W1030 HydrophobicContact CD1-CB 4.2Å; F912-W1030 HydrophobicContact CD1-CE3 4.26Å; F912-W1030 AromaticContact CD2-CE3 3.81Å; F912-W1030 HydrophobicContact CD2-CE3 3.81Å; F912-W1030 HydrophobicContact CD2-CZ3 4.25Å; F912-W1030 HydrophobicContact CE1-CE3 4.04Å; F912-W1030 AromaticContact CE2-CE3 3.56Å; F912-W1030 HydrophobicContact CE2-CE3 3.56Å; F912-W1030 AromaticContact CE2-CZ3 3.7Å; F912-W1030 HydrophobicContact CE2-CZ3 3.7Å; F912-W1030 HydrophobicContact CG-CE3 4.17Å; F912-W1030 AromaticContact CZ-CE3 3.7Å; F912-W1030 HydrophobicContact CZ-CE3 3.7Å; F912-W1030 HydrophobicContact CZ-CZ3 4.03Å; F912-F1033 HydrophobicContact CE1-CB 3.71Å; F912-F1033 HydrophobicContact CE1-CD1 4.32Å; F912-F1033 HydrophobicContact CE1-CD2 4.36Å; F912-F1033 AromaticContact CE1-CG 3.89Å; F912-F1033 HydrophobicContact CE1-CG 3.89Å; F912-F1033 HydrophobicContact CE2-CD1 4.3Å; F912-F1033 HydrophobicContact CZ-CB 3.82Å; F912-F1033 AromaticContact CZ-CD1 3.55Å; F912-F1033 HydrophobicContact CZ-CD1 3.55Å; F912-F1033 AromaticContact CZ-CD2 3.88Å; F912-F1033 HydrophobicContact CZ-CD2 3.88Å; F912-F1033 HydrophobicContact CZ-CE1 4.03Å; F912-F1033 HydrophobicContact CZ-CE2 4.33Å; F912-F1033 AromaticContact CZ-CG 3.46Å; F912-F1033 HydrophobicContact CZ-CG 3.46Å; F912-F1033 VanDerWaalsContact CZ-CG 3.46Å; F912-F1033 HydrophobicContact CZ-CZ 4.4Å
913T89.5Confident86.3Confident0 Ų026.6 Ų26.60%015%0.145CC..THydrogen-bonded Turntrans-125.516-17869.40000114.6K877 Y908 I911 P917 V1004K877-T913 PolarHBondContact NZ-OG1 3.04Å; Y908-T913 HydrophobicContact CD2-CG2 3.86Å; Y908-T913 HydrophobicContact CE1-CG2 4.37Å; Y908-T913 HydrophobicContact CE2-CG2 3.38Å; Y908-T913 WeakPolarHBondContact O-CB 3.4Å; Y908-T913 PolarHBondContact O-N 3.35Å; Y908-T913 PolarHBondContact O-OG1 2.69Å; I911-T913 PolarHBondContact O-N 2.83Å; T913-P917 WeakPolarHBondContact O-CD 3.41Å; T913-P917 VanDerWaalsContact O-CG 3.29Å; T913-P917 WeakPolarHBondContact O-CG 3.24Å; T913-V1004 HydrophobicContact CG2-CG1 4.28Å
914A86.6Confident86.8Confident22 Ų2221.4 Ų21.418%0.18213%0.126CC..THydrogen-bonded Turntrans-80.3-36177.300000113V910 P917V910-A914 WeakPolarHBondContact O-CB 3.45Å; A914-P917 WeakPolarHBondContact O-CD 3.48Å
915A91.3Very high86.8Confident30 Ų3028.1 Ų28.125%0.24815%0.151CC..Hα-helixtrans-68.4-42.5-177.200000114.3M918 A919 A1022A915-M918 PolarHBondContact O-N 2.86Å; A915-A919 PolarHBondContact O-N 3.29Å; A915-A1022 HydrophobicContact CB-CB 4.01Å
916P91.7Very high86.8Confident0 Ų028.5 Ų28.50%015%0.154CC..Hα-helixtrans-62.3-47.1-178.2-21.732.4000114.7Y873 M918 A919 L920 A1008 S1026Y873-P916 HydrophobicContact CE1-CB 4.38Å; P916-M918 VanDerWaalsContact C-N 3.27Å; P916-M918 PolarHBondContact O-N 3.29Å; P916-A919 PolarHBondContact O-N 3.03Å; P916-L920 WeakPolarHBondContact O-CB 3.29Å; P916-L920 PolarHBondContact O-N 3.05Å; P916-A1008 HydrophobicContact CB-CB 3.72Å; P916-S1026 WeakPolarHBondContact CD-OG 3.25Å
917P90.8Very high87.2Confident0 Ų027.4 Ų27.40%014%0.143CC..Hα-helixtrans-58.6-39.8173.2-10.216.3000112.4L870 Y873 K877 T913 A914 L920 G921L870-P917 VanDerWaalsContact CD1-O 3.31Å; L870-P917 WeakPolarHBondContact CD1-O 3.17Å; L870-P917 HydrophobicContact CG-CB 4.09Å; Y873-P917 HydrophobicContact CD1-CB 4Å; Y873-P917 HydrophobicContact CD1-CG 3.82Å; Y873-P917 HydrophobicContact CE1-CB 4.26Å; Y873-P917 HydrophobicContact CE1-CG 3.63Å; K877-P917 HydrophobicContact CD-CG 4.21Å; T913-P917 WeakPolarHBondContact O-CD 3.41Å; T913-P917 VanDerWaalsContact O-CG 3.29Å; T913-P917 WeakPolarHBondContact O-CG 3.24Å; A914-P917 WeakPolarHBondContact O-CD 3.48Å; P917-L920 PolarHBondContact O-N 2.85Å; P917-G921 PolarHBondContact O-N 2.91Å
918M90.4Very high87.3Confident73 Ų7327.4 Ų27.436%0.3615%0.145SC..Hα-helixtrans-66.2-44.1179.6-174.5170.363.500111.7V369 V370 A915 P916 L920 G921 L922V369-M918 HydrophobicContact CG1-SD 4.27Å; V370-M918 HydrophobicContact CG2-CG 4.17Å; A915-M918 PolarHBondContact O-N 2.86Å; P916-M918 VanDerWaalsContact C-N 3.27Å; P916-M918 PolarHBondContact O-N 3.29Å; M918-L920 VanDerWaalsContact C-N 3.3Å; M918-L920 PolarHBondContact O-N 3.14Å; M918-G921 PolarHBondContact O-N 2.89Å; M918-L922 HydrophobicContact CG-CD1 3.81Å; M918-L922 HydrophobicContact CG-CG 4.49Å; M918-L922 WeakPolarHBondContact O-CB 3.2Å; M918-L922 WeakPolarHBondContact O-CG 3.28Å; M918-L922 PolarHBondContact O-N 3.38Å
919A92.2Very high87.6Confident4 Ų429.3 Ų29.33%0.03316%0.157CC..Hα-helixtrans-62.6-38.9175.600000112A915 P916 L922 F923 A1022A915-A919 PolarHBondContact O-N 3.29Å; P916-A919 PolarHBondContact O-N 3.03Å; A919-L922 PolarHBondContact O-N 3.4Å; A919-F923 HydrophobicContact CB-CD2 4.34Å; A919-F923 PolarHBondContact O-N 3.42Å; A919-A1022 HydrophobicContact CB-CB 3.54Å
920L91.7Very high88Confident1 Ų134.8 Ų34.81%0.00519%0.186CC..Hα-helixtrans-66.1-38.5174.9-169.4148.1000111.8K869 L870 P916 P917 M918 D924 E1011K869-L920 HydrophobicContact CB-CD2 3.29Å; K869-L920 HydrophobicContact CB-CG 4.43Å; K869-L920 HydrophobicContact CD-CD2 4.19Å; K869-L920 HydrophobicContact CG-CD2 4.43Å; L870-L920 HydrophobicContact CB-CD2 4.25Å; P916-L920 WeakPolarHBondContact O-CB 3.29Å; P916-L920 PolarHBondContact O-N 3.05Å; P917-L920 PolarHBondContact O-N 2.85Å; M918-L920 VanDerWaalsContact C-N 3.3Å; M918-L920 PolarHBondContact O-N 3.14Å; L920-D924 VanDerWaalsContact O-CB 3.29Å; L920-D924 WeakPolarHBondContact O-CB 3.11Å; L920-E1011 HydrophobicContact CD1-CB 4.23Å
921G90.8Very high88.5Confident0 Ų031.6 Ų31.60%017%0.166CC..Hα-helixtrans-70.1-24.6176.600000115.1V370 Q374 R866 P917 M918V370-G921 WeakPolarHBondContact CG1-O 3.32Å; Q374-G921 PolarHBondContact NE2-O 3.42Å; R866-G921 WeakPolarHBondContact CB-O 3.25Å; R866-G921 WeakPolarHBondContact CD-O 3.44Å; P917-G921 PolarHBondContact O-N 2.91Å; M918-G921 PolarHBondContact O-N 2.89Å
922L91.1Very high88.7Confident12 Ų1228.2 Ų28.26%0.06315%0.149CC..Hα-helixtrans-106.9-45.5-173.5-67176.4000113.8V370 V373 Q374 M918 A919V370-L922 HydrophobicContact CB-CD2 4.33Å; V370-L922 HydrophobicContact CG1-CD2 4.03Å; V370-L922 HydrophobicContact CG2-CD2 4.3Å; V370-L922 HydrophobicContact CG2-CG 4.17Å; V373-L922 HydrophobicContact CB-CD1 4.42Å; V373-L922 HydrophobicContact CB-CD2 3.67Å; V373-L922 HydrophobicContact CG1-CD1 4.08Å; V373-L922 HydrophobicContact CG1-CD2 3.61Å; V373-L922 HydrophobicContact CG1-CG 4.47Å; Q374-L922 HydrophobicContact CG-CD2 4.19Å; M918-L922 HydrophobicContact CG-CD1 3.81Å; M918-L922 HydrophobicContact CG-CG 4.49Å; M918-L922 WeakPolarHBondContact O-CB 3.2Å; M918-L922 WeakPolarHBondContact O-CG 3.28Å; M918-L922 PolarHBondContact O-N 3.38Å; A919-L922 PolarHBondContact O-N 3.4Å
923F88.7Confident88.8Confident62 Ų6230.5 Ų30.527%0.27216%0.161SC..Hα-helixtrans-111.6-5.1-163.3-52.8-58.9000114A919 T1016 L1018A919-F923 HydrophobicContact CB-CD2 4.34Å; A919-F923 PolarHBondContact O-N 3.42Å; F923-T1016 HydrophobicContact CB-CG2 4.5Å; F923-L1018 HydrophobicContact CD1-CD1 3.94Å; F923-L1018 HydrophobicContact CD2-CB 3.81Å; F923-L1018 HydrophobicContact CD2-CD1 4Å; F923-L1018 HydrophobicContact CE1-CD1 3.64Å; F923-L1018 HydrophobicContact CE2-CB 4Å; F923-L1018 HydrophobicContact CE2-CD1 3.72Å; F923-L1018 HydrophobicContact CE2-CG 4.33Å; F923-L1018 HydrophobicContact CG-CB 4.35Å; F923-L1018 HydrophobicContact CG-CD1 4.13Å; F923-L1018 HydrophobicContact CZ-CD1 3.54Å
924D88.9Confident88.8Confident4 Ų435.3 Ų35.32%0.02118%0.182CC..  trans-68.8144.1177.6-163.225.9000111.2R866 K869 L920 T1013 A1014R866-D924 HydrophobicContact CG-CB 4.32Å; R866-D924 VanDerWaalsContact CZ-O 3.25Å; R866-D924 PolarHBondContact NE-O 3.31Å; R866-D924 PolarHBondContact NH2-O 2.95Å; K869-D924 IonicContact NZ-OD2 3.39Å; K869-D924 PolarHBondContact NZ-OD2 3.4Å; L920-D924 VanDerWaalsContact O-CB 3.29Å; L920-D924 WeakPolarHBondContact O-CB 3.11Å; D924-T1013 WeakPolarHBondContact OD1-CA 3.41Å; D924-T1013 PolarHBondContact OD1-N 3.35Å; D924-T1013 PolarHBondContact OD1-OG1 3.37Å; D924-T1013 PolarHBondContact OD2-OG1 3.38Å; D924-A1014 PolarHBondContact OD1-N 3.04Å; D924-A1014 VanDerWaalsContact OD1-N 3.14Å
925R83.8Confident88.9Confident143 Ų14335.2 Ų35.254%0.5418%0.177SC..  trans-134.1118.5179.3-63.2-179.1-175.6-178.9-1.5108.3T1013 A1014R925-T1013 PolarHBondContact O-OG1 2.95Å; R925-T1013 VanDerWaalsContact O-OG1 3.1Å; R925-A1014 HydrophobicContact CB-CB 4.07Å
926S79.4Confident88.9Confident14 Ų1433.8 Ų33.810%0.09817%0.166CC..SBendtrans-76.9-54176.847.60000111.4N865 M1097N865-S926 PolarHBondContact ND2-OG 3.09Å; S926-M1097 WeakPolarHBondContact O-CE 3.5Å; S926-M1097 WeakPolarHBondContact O-CG 3.46Å
927C82.2Confident88.7Confident4 Ų434.5 Ų34.53%0.02717%0.169CC..SBendtrans-128.6160.1173.9-59.60000110.8W862W862-C927 VanDerWaalsContact CZ2-O 3.29Å; W862-C927 WeakPolarHBondContact CZ2-O 3.44Å; W862-C927 PolarHBondContact NE1-O 3.23Å
928S87.3Confident88.6Confident33 Ų3334.8 Ų34.823%0.23117%0.171CC..  trans-65.7156.8170.456.50000113.1N930 N931 C932 E1100S928-N930 VanDerWaalsContact C-N 3.29Å; S928-N930 PolarHBondContact O-N 2.99Å; S928-N931 PolarHBondContact O-N 3.36Å; S928-N931 PolarHBondContact OG-ND2 2.96Å; S928-C932 PolarHBondContact O-N 3.13Å; S928-C932 PolarHBondContact O-SG 3.33Å; S928-C932 VanDerWaalsContact O-SG 3.4Å; S928-E1100 WeakPolarHBondContact CB-OE1 3.42Å; S928-E1100 PolarHBondContact N-OE2 2.94Å; S928-E1100 VanDerWaalsContact OG-CD 3.28Å; S928-E1100 PolarHBondContact OG-OE1 2.95Å; S928-E1100 PolarHBondContact OG-OE2 2.91Å
929V90.3Very high88.6Confident40 Ų4031.5 Ų31.524%0.24215%0.154CC..Hα-helixtrans-54.5-46.4176.3-177.10000110.9V858 W862 N931 C932 L933V858-V929 HydrophobicContact CG1-CG1 4.28Å; V858-V929 HydrophobicContact CG1-CG2 4.1Å; V858-V929 HydrophobicContact CG2-CG1 4.09Å; W862-V929 HydrophobicContact CH2-CG2 3.39Å; W862-V929 HydrophobicContact CZ2-CG2 3.76Å; W862-V929 HydrophobicContact CZ3-CG2 4.34Å; V929-N931 PolarHBondContact O-N 3.41Å; V929-C932 PolarHBondContact O-N 3.2Å; V929-L933 HydrophobicContact CG1-CD1 4.04Å; V929-L933 WeakPolarHBondContact O-CG 3.03Å; V929-L933 PolarHBondContact O-N 3.08Å
930N89.7Confident88.4Confident126 Ų12636 Ų3667%0.67417%0.173SC*.Hα-helixtrans-61.8-43.1-178.1-66.5-16.7000112S928 L933 K934S928-N930 VanDerWaalsContact C-N 3.29Å; S928-N930 PolarHBondContact O-N 2.99Å; N930-L933 PolarHBondContact O-N 3.04Å; N930-K934 WeakPolarHBondContact O-CB 3.19Å; N930-K934 PolarHBondContact O-N 3.35Å
931N89Confident88.1Confident18 Ų1837.9 Ų37.910%0.09618%0.183CC..Hα-helixtrans-70.1-38.1178.7-77.4-17.2000112S928 V929 L933 Y935 E1100S928-N931 PolarHBondContact O-N 3.36Å; S928-N931 PolarHBondContact OG-ND2 2.96Å; V929-N931 PolarHBondContact O-N 3.41Å; N931-L933 VanDerWaalsContact C-N 3.32Å; N931-L933 PolarHBondContact O-N 3.23Å; N931-Y935 WeakPolarHBondContact O-CB 3.44Å; N931-Y935 PolarHBondContact O-N 2.94Å; N931-E1100 PolarHBondContact ND2-OE2 3.44Å
932C89.1Confident87.9Confident6 Ų637.9 Ų37.94%0.04118%0.183CC..Hα-helixtrans-61.1-39.6174.3-70.40000112.5V858 S928 V929 Y935V858-C932 HydrophobicContact CG2-CB 4.01Å; S928-C932 PolarHBondContact O-N 3.13Å; S928-C932 PolarHBondContact O-SG 3.33Å; S928-C932 VanDerWaalsContact O-SG 3.4Å; V929-C932 PolarHBondContact O-N 3.2Å; C932-Y935 CarbonylContact O-C 3.52Å
933L91Very high87.6Confident49 Ų4939 Ų3926%0.25719%0.188SC..Hα-helixtrans-78.2-39.4179.2-66.8175000112.8V858 V929 N930 N931 Y935V858-L933 HydrophobicContact CG2-CD2 3.94Å; V858-L933 HydrophobicContact CG2-CG 3.99Å; V929-L933 HydrophobicContact CG1-CD1 4.04Å; V929-L933 WeakPolarHBondContact O-CG 3.03Å; V929-L933 PolarHBondContact O-N 3.08Å; N930-L933 PolarHBondContact O-N 3.04Å; N931-L933 VanDerWaalsContact C-N 3.32Å; N931-L933 PolarHBondContact O-N 3.23Å; L933-Y935 VanDerWaalsContact C-N 3.31Å; L933-Y935 PolarHBondContact O-N 2.89Å
934K88.4Confident87.1Confident100 Ų10039.6 Ų39.644%0.43520%0.204SC..Hα-helixtrans-68.3-31.4178-171.4177179.8-1750112N930 D1105N930-K934 WeakPolarHBondContact O-CB 3.19Å; N930-K934 PolarHBondContact O-N 3.35Å; K934-D1105 IonicContact NZ-OD1 2.91Å; K934-D1105 PolarHBondContact NZ-OD1 2.89Å; K934-D1105 IonicContact NZ-OD2 3.68Å; K934-D1105 PolarHBondContact NZ-OD2 3.33Å
935Y89.8Confident86.5Confident20 Ų2040.7 Ų40.78%0.07821%0.212CC..  trans-127.477-178.4-55.1-67.8000112.3N931 C932 L933 E937 L938 P1106 G1107 I1110N931-Y935 WeakPolarHBondContact O-CB 3.44Å; N931-Y935 PolarHBondContact O-N 2.94Å; C932-Y935 CarbonylContact O-C 3.52Å; L933-Y935 VanDerWaalsContact C-N 3.31Å; L933-Y935 PolarHBondContact O-N 2.89Å; Y935-E937 WeakPolarHBondContact CA-OE2 3.29Å; Y935-E937 PolarHBondContact O-N 3.49Å; Y935-L938 WeakPolarHBondContact O-CG 3.4Å; Y935-L938 PolarHBondContact O-N 2.9Å; Y935-P1106 HydrophobicContact CD2-CG 4.03Å; Y935-P1106 HydrophobicContact CE2-CG 3.44Å; Y935-P1106 VanDerWaalsContact CE2-CG 3.44Å; Y935-G1107 WeakPolarHBondContact OH-CA 3.15Å; Y935-G1107 PolarHBondContact OH-N 2.82Å; Y935-G1107 VanDerWaalsContact OH-N 3.15Å; Y935-I1110 HydrophobicContact CD1-CB 4.35Å; Y935-I1110 HydrophobicContact CD1-CD1 3.29Å; Y935-I1110 HydrophobicContact CD1-CG1 4.4Å; Y935-I1110 HydrophobicContact CD1-CG2 4.22Å; Y935-I1110 HydrophobicContact CD2-CD1 3.73Å; Y935-I1110 HydrophobicContact CE1-CD1 3.82Å; Y935-I1110 HydrophobicContact CE2-CD1 4.23Å; Y935-I1110 HydrophobicContact CG-CD1 3.22Å
936P90.8Very high86Confident1 Ų136 Ų361%0.00620%0.204CC..G310 helixtrans-58.6-21.1179.3-23.734.3000113.8N684 R687 A688 L857 L938 Y939N684-P936 HydrophobicContact CB-CB 4.47Å; N684-P936 HydrophobicContact CB-CG 3.81Å; N684-P936 WeakPolarHBondContact O-CB 3.05Å; R687-P936 HydrophobicContact CB-CB 4.35Å; A688-P936 WeakPolarHBondContact CA-O 3.12Å; A688-P936 HydrophobicContact CB-CB 3.91Å; A688-P936 WeakPolarHBondContact CB-O 3.24Å; L857-P936 HydrophobicContact CD1-CB 3.78Å; L857-P936 HydrophobicContact CD1-CG 4.02Å; L857-P936 HydrophobicContact CD2-CB 4.32Å; P936-L938 PolarHBondContact O-N 3.02Å; P936-L938 VanDerWaalsContact O-N 3.09Å; P936-Y939 VanDerWaalsContact O-CB 3.22Å; P936-Y939 WeakPolarHBondContact O-CB 3.38Å; P936-Y939 PolarHBondContact O-N 3.46Å
937E87.6Confident85.8Confident14 Ų1437.3 Ų37.37%0.06521%0.213CC..G310 helixtrans-60.3-21.7-179.8-5983.518000113.2R687 Y935 Y939 K940 I1110 I1114R687-E937 IonicContact CZ-OE1 3.45Å; R687-E937 VanDerWaalsContact CZ-OE1 3.29Å; R687-E937 IonicContact NE-OE1 3.53Å; R687-E937 PolarHBondContact NE-OE1 3.5Å; R687-E937 IonicContact NH2-OE1 3Å; R687-E937 PolarHBondContact NH2-OE1 2.74Å; R687-E937 IonicContact NH2-OE2 2.69Å; Y935-E937 WeakPolarHBondContact CA-OE2 3.29Å; Y935-E937 PolarHBondContact O-N 3.49Å; E937-Y939 PolarHBondContact O-N 2.92Å; E937-K940 WeakPolarHBondContact O-CB 3.25Å; E937-K940 PolarHBondContact O-N 3.38Å; E937-I1110 HydrophobicContact CB-CG2 4.44Å; E937-I1110 HydrophobicContact CG-CG2 4.38Å; E937-I1114 HydrophobicContact CG-CD1 4Å; E937-I1114 HydrophobicContact CG-CG1 4.35Å
938L88.5Confident85.9Confident7 Ų737.2 Ų37.24%0.03721%0.213CC..G310 helixtrans-62.6-19.1174.6-68.2175.8000113.6Y935 P936 K940 L1092 V1096Y935-L938 WeakPolarHBondContact O-CG 3.4Å; Y935-L938 PolarHBondContact O-N 2.9Å; P936-L938 PolarHBondContact O-N 3.02Å; P936-L938 VanDerWaalsContact O-N 3.09Å; L938-K940 VanDerWaalsContact C-N 3.32Å; L938-L1092 HydrophobicContact CD2-CD2 4.29Å; L938-L1092 HydrophobicContact CD2-CG 4.11Å; L938-V1096 HydrophobicContact CD1-CG1 4.19Å; L938-V1096 HydrophobicContact CD2-CB 4.39Å; L938-V1096 HydrophobicContact CD2-CG2 4.01Å
939Y91.3Very high85.9Confident4 Ų437.9 Ų37.92%0.01621%0.213CC..G310 helixtrans-72-24.1177-169.1-95.3000112.7L404 Q406 V407 A688 I690 L856 L857 A861 P936 E937 D941 T942 Q943L404-Y939 PolarHBondContact O-OH 3.46Å; Q406-Y939 PolarHBondContact N-OH 3.15Å; V407-Y939 PolarHBondContact N-OH 2.85Å; V407-Y939 VanDerWaalsContact N-OH 3.12Å; V407-Y939 WeakPolarHBondContact O-CE1 3.31Å; A688-Y939 HydrophobicContact CB-CD1 4.24Å; A688-Y939 HydrophobicContact CB-CG 4.38Å; I690-Y939 HydrophobicContact CD1-CD1 4.19Å; I690-Y939 HydrophobicContact CD1-CE1 3.87Å; I690-Y939 HydrophobicContact CG1-CD1 4.41Å; I690-Y939 HydrophobicContact CG1-CE1 4.18Å; L856-Y939 HydrophobicContact CB-CE2 4.46Å; L856-Y939 VanDerWaalsContact O-CE2 3.32Å; L856-Y939 WeakPolarHBondContact O-CE2 3.43Å; L857-Y939 HydrophobicContact CD2-CD2 3.96Å; L857-Y939 HydrophobicContact CD2-CG 3.92Å; A861-Y939 HydrophobicContact CB-CD2 4.22Å; P936-Y939 VanDerWaalsContact O-CB 3.22Å; P936-Y939 WeakPolarHBondContact O-CB 3.38Å; P936-Y939 PolarHBondContact O-N 3.46Å; E937-Y939 PolarHBondContact O-N 2.92Å; Y939-D941 PolarHBondContact O-N 2.99Å; Y939-T942 PolarHBondContact O-N 3.45Å; Y939-T942 VanDerWaalsContact O-N 3.07Å; Y939-T942 PolarHBondContact O-OG1 3.24Å; Y939-Q943 HydrophobicContact CD1-CG 3.75Å; Y939-Q943 HydrophobicContact CE1-CG 3.58Å; Y939-Q943 PolarHBondContact O-N 3.44Å
940K87Confident85.8Confident97 Ų9739.5 Ų39.542%0.42223%0.225SC..Hα-helixtrans-60.9-30.7178.7-66.6-175.5177.2-174.50113.4R687 A688 E937 L938 T942 Q943 A944R687-K940 WeakPolarHBondContact O-CE 3.5Å; A688-K940 WeakPolarHBondContact O-CG 3.48Å; E937-K940 WeakPolarHBondContact O-CB 3.25Å; E937-K940 PolarHBondContact O-N 3.38Å; L938-K940 VanDerWaalsContact C-N 3.32Å; K940-T942 VanDerWaalsContact C-N 3.31Å; K940-T942 PolarHBondContact O-N 2.95Å; K940-Q943 PolarHBondContact O-N 2.85Å; K940-A944 PolarHBondContact O-N 2.75Å; K940-A944 VanDerWaalsContact O-N 3.14Å
941D84.8Confident85.9Confident41 Ų4142.1 Ų42.122%0.21923%0.23CC..Hα-helixtrans-63.5-35.9176.8-17841.2000112.2Y939 R1093Y939-D941 PolarHBondContact O-N 2.99Å; D941-R1093 IonicContact OD2-CZ 2.89Å; D941-R1093 IonicContact OD2-NH1 2.76Å; D941-R1093 PolarHBondContact OD2-NH1 2.69Å
942T87Confident85.9Confident0 Ų043.1 Ų43.10%024%0.237CC..Hα-helixtrans-79.6-34.8178.954.80000111.9G405 A861 Y864 Y939 K940 A944 S945 R1093G405-T942 WeakPolarHBondContact O-CB 3.5Å; G405-T942 PolarHBondContact O-OG1 2.69Å; A861-T942 HydrophobicContact CB-CG2 4.44Å; Y864-T942 HydrophobicContact CD1-CG2 3.82Å; Y864-T942 HydrophobicContact CE1-CG2 4.43Å; Y939-T942 PolarHBondContact O-N 3.45Å; Y939-T942 VanDerWaalsContact O-N 3.07Å; Y939-T942 PolarHBondContact O-OG1 3.24Å; K940-T942 VanDerWaalsContact C-N 3.31Å; K940-T942 PolarHBondContact O-N 2.95Å; T942-A944 PolarHBondContact O-N 2.78Å; T942-S945 PolarHBondContact O-N 3.19Å; T942-R1093 VanDerWaalsContact CG2-NH2 3.34Å
943Q85.5Confident86.1Confident36 Ų3642.9 Ų42.917%0.16824%0.235CC..Hα-helixtrans-60.6-41.9173.1-67.6176.7-32.900112.4V407 A688 G689 Y939 K940 S945V407-Q943 PolarHBondContact O-NE2 2.95Å; A688-Q943 PolarHBondContact O-OE1 3.35Å; G689-Q943 PolarHBondContact O-NE2 3.38Å; Y939-Q943 HydrophobicContact CD1-CG 3.75Å; Y939-Q943 HydrophobicContact CE1-CG 3.58Å; Y939-Q943 PolarHBondContact O-N 3.44Å; K940-Q943 PolarHBondContact O-N 2.85Å; Q943-S945 PolarHBondContact O-N 3.32Å
944A76.9Confident86.2Confident75 Ų7544.8 Ų44.862%0.6224%0.241SC*.THydrogen-bonded Turntrans-69.1-2.7-179.900000114K940 T942 A946K940-A944 PolarHBondContact O-N 2.75Å; K940-A944 VanDerWaalsContact O-N 3.14Å; T942-A944 PolarHBondContact O-N 2.78Å; A944-A946 PolarHBondContact O-N 3.3Å
945S77.3Confident86.4Confident26 Ų2642.7 Ų42.718%0.18224%0.239CC..THydrogen-bonded Turntrans50.830.3-177.3-57.30000114Q406 Y864 T942 Q943 S947 F948Q406-S945 PolarHBondContact NE2-OG 3.09Å; Y864-S945 WeakPolarHBondContact OH-CA 3.03Å; T942-S945 PolarHBondContact O-N 3.19Å; Q943-S945 PolarHBondContact O-N 3.32Å; S945-S947 PolarHBondContact O-N 3.49Å; S945-F948 CarbonylContact O-C 3.52Å; S945-F948 PolarHBondContact O-N 3.5Å
946A72.5Confident86.6Confident45 Ų4543.5 Ų43.537%0.37224%0.242SC..THydrogen-bonded Turntrans-63.4-30-173.700000112.7A944 N949A944-A946 PolarHBondContact O-N 3.3Å; A946-N949 PolarHBondContact O-ND2 3.23Å; A946-N949 VanDerWaalsContact O-ND2 3.11Å
947S76Confident86.7Confident42 Ų4244.2 Ų44.229%0.29425%0.245SC..THydrogen-bonded Turntrans-77.5-23.5-179.4-66.10000113.9S945S945-S947 PolarHBondContact O-N 3.49Å
948F84.3Confident87Confident2 Ų249.9 Ų49.91%0.00927%0.27CS..SBendtrans-132.482.1-174-163.3-112000110.2V247 Q250 Y254 T868 I871 L872 S945V247-F948 HydrophobicContact CG1-CD1 4.42Å; V247-F948 HydrophobicContact CG1-CE1 4.1Å; Q250-F948 HydrophobicContact CB-CD1 4.36Å; Q250-F948 HydrophobicContact CB-CE1 3.74Å; Y254-F948 HydrophobicContact CD2-CE1 4.18Å; Y254-F948 HydrophobicContact CD2-CE2 4.2Å; Y254-F948 AromaticContact CD2-CZ 3.63Å; Y254-F948 HydrophobicContact CD2-CZ 3.63Å; Y254-F948 HydrophobicContact CE2-CD1 4.23Å; Y254-F948 HydrophobicContact CE2-CD2 4.45Å; Y254-F948 AromaticContact CE2-CE1 3.58Å; Y254-F948 HydrophobicContact CE2-CE1 3.58Å; Y254-F948 AromaticContact CE2-CE2 3.84Å; Y254-F948 HydrophobicContact CE2-CE2 3.84Å; Y254-F948 AromaticContact CE2-CZ 3.36Å; Y254-F948 HydrophobicContact CE2-CZ 3.36Å; T868-F948 HydrophobicContact CG2-CB 3.55Å; T868-F948 HydrophobicContact CG2-CD2 4.15Å; T868-F948 HydrophobicContact CG2-CG 3.86Å; I871-F948 HydrophobicContact CB-CE2 4.23Å; I871-F948 HydrophobicContact CD1-CZ 4.43Å; I871-F948 HydrophobicContact CG2-CE2 3.83Å; I871-F948 HydrophobicContact CG2-CZ 3.93Å; L872-F948 HydrophobicContact CD1-CD2 4.18Å; L872-F948 HydrophobicContact CD2-CD2 4.17Å; L872-F948 HydrophobicContact CD2-CE2 4.05Å; L872-F948 HydrophobicContact CG-CD2 4.03Å; L872-F948 HydrophobicContact CG-CE2 4.08Å; S945-F948 CarbonylContact O-C 3.52Å; S945-F948 PolarHBondContact O-N 3.5Å
949N86.8Confident87.2Confident46 Ų4649.8 Ų49.825%0.24627%0.269CS..SBendtrans-129.8162.2177.266.144.3000110.1A946 K951 V952 F953A946-N949 PolarHBondContact O-ND2 3.23Å; A946-N949 VanDerWaalsContact O-ND2 3.11Å; N949-K951 PolarHBondContact O-N 3.46Å; N949-K951 WeakPolarHBondContact OD1-CB 3.48Å; N949-K951 PolarHBondContact OD1-N 3.43Å; N949-K951 VanDerWaalsContact OD1-N 3.15Å; N949-V952 PolarHBondContact O-N 2.85Å; N949-V952 WeakPolarHBondContact OD1-CB 3.42Å; N949-V952 VanDerWaalsContact OD1-CG2 3.25Å; N949-V952 WeakPolarHBondContact OD1-CG2 3.3Å; N949-V952 PolarHBondContact OD1-N 3.45Å; N949-F953 PolarHBondContact O-N 2.98Å
950P88.4Confident87.4Confident74 Ų7449.6 Ų49.648%0.48127%0.269SS..Hα-helixtrans-58.4-32.4-178.3-25.534000113.4Y254 F953 F954Y254-P950 HydrophobicContact CE1-CB 4.3Å; Y254-P950 HydrophobicContact CE1-CG 4.2Å; Y254-P950 WeakPolarHBondContact OH-CD 3.16Å; Y254-P950 VanDerWaalsContact OH-N 3.11Å; P950-F953 WeakPolarHBondContact O-CB 3.48Å; P950-F953 PolarHBondContact O-N 3.34Å; P950-F954 WeakPolarHBondContact O-CD2 3.16Å; P950-F954 PolarHBondContact O-N 3.18Å
951K91Very high87.7Confident181 Ų18147.8 Ų47.879%0.78726%0.263SS*.Hα-helixtrans-65.5-45.6179-63.5-178.9178.7178.50111.5N949 F954 C955N949-K951 PolarHBondContact O-N 3.46Å; N949-K951 WeakPolarHBondContact OD1-CB 3.48Å; N949-K951 PolarHBondContact OD1-N 3.43Å; N949-K951 VanDerWaalsContact OD1-N 3.15Å; K951-F954 PolarHBondContact O-N 2.9Å; K951-C955 WeakPolarHBondContact O-CB 3.28Å; K951-C955 PolarHBondContact O-N 2.85Å
952V90.8Very high88.2Confident40 Ų4049.7 Ų49.724%0.24227%0.268CS..Hα-helixtrans-62.4-47.2175.2172.90000108.8L872 N949 F954 C955 W956L872-V952 HydrophobicContact CD1-CG1 3.77Å; L872-V952 HydrophobicContact CD2-CG1 4.49Å; N949-V952 PolarHBondContact O-N 2.85Å; N949-V952 WeakPolarHBondContact OD1-CB 3.42Å; N949-V952 VanDerWaalsContact OD1-CG2 3.25Å; N949-V952 WeakPolarHBondContact OD1-CG2 3.3Å; N949-V952 PolarHBondContact OD1-N 3.45Å; V952-F954 PolarHBondContact O-N 3.18Å; V952-C955 VanDerWaalsContact O-CB 3.3Å; V952-C955 WeakPolarHBondContact O-CB 3.45Å; V952-C955 PolarHBondContact O-N 3.13Å; V952-C955 VanDerWaalsContact O-N 3.09Å; V952-W956 VanDerWaalsContact O-CD1 3.23Å; V952-W956 PolarHBondContact O-N 3.43Å
953F91.8Very high88.6Confident1 Ų149.7 Ų49.70%0.00427%0.268CS..Hα-helixtrans-52-54.1176.5172.1-101.9000112.5Y254 L258 L872 F875 N949 P950 C955 W956 I957Y254-F953 HydrophobicContact CD1-CD1 4.1Å; Y254-F953 HydrophobicContact CD1-CE1 4.45Å; Y254-F953 HydrophobicContact CD1-CG 4.15Å; Y254-F953 HydrophobicContact CD2-CB 4.39Å; Y254-F953 AromaticContact CD2-CD2 3.89Å; Y254-F953 HydrophobicContact CD2-CD2 3.89Å; Y254-F953 HydrophobicContact CD2-CE2 4.41Å; Y254-F953 HydrophobicContact CD2-CG 4.11Å; Y254-F953 HydrophobicContact CE1-CB 4.4Å; Y254-F953 HydrophobicContact CE1-CG 4.42Å; Y254-F953 HydrophobicContact CE2-CB 4.14Å; Y254-F953 HydrophobicContact CE2-CD2 4.45Å; Y254-F953 HydrophobicContact CE2-CG 4.35Å; Y254-F953 HydrophobicContact CG-CD1 4.28Å; Y254-F953 AromaticContact CG-CD2 3.95Å; Y254-F953 HydrophobicContact CG-CD2 3.95Å; Y254-F953 HydrophobicContact CG-CE1 4.47Å; Y254-F953 HydrophobicContact CG-CE2 4.16Å; Y254-F953 HydrophobicContact CG-CG 4.02Å; Y254-F953 HydrophobicContact CG-CZ 4.41Å; L258-F953 HydrophobicContact CD1-CZ 4.22Å; L258-F953 HydrophobicContact CD2-CZ 4.23Å; L258-F953 HydrophobicContact CG-CZ 3.99Å; L872-F953 HydrophobicContact CD2-CB 4.29Å; L872-F953 HydrophobicContact CD2-CD2 4.31Å; F875-F953 HydrophobicContact CB-CE2 4.35Å; F875-F953 HydrophobicContact CD2-CD2 4.3Å; F875-F953 AromaticContact CD2-CE2 3.81Å; F875-F953 HydrophobicContact CD2-CE2 3.81Å; F875-F953 HydrophobicContact CE2-CE2 4.23Å; F875-F953 HydrophobicContact CG-CE2 4.07Å; N949-F953 PolarHBondContact O-N 2.98Å; P950-F953 WeakPolarHBondContact O-CB 3.48Å; P950-F953 PolarHBondContact O-N 3.34Å; F953-C955 VanDerWaalsContact C-N 3.3Å; F953-C955 PolarHBondContact O-N 2.78Å; F953-W956 WeakPolarHBondContact O-CB 3.33Å; F953-W956 PolarHBondContact O-N 3.23Å; F953-W956 VanDerWaalsContact O-N 3.12Å; F953-I957 HydrophobicContact CD1-CG1 4.4Å; F953-I957 HydrophobicContact CE1-CG1 3.94Å; F953-I957 HydrophobicContact CE2-CD1 4.02Å; F953-I957 HydrophobicContact CE2-CG1 4.06Å; F953-I957 HydrophobicContact CZ-CD1 3.91Å; F953-I957 HydrophobicContact CZ-CG1 3.75Å; F953-I957 WeakPolarHBondContact O-CG1 3.25Å; F953-I957 PolarHBondContact O-N 3.05Å; F953-I957 VanDerWaalsContact O-N 3.08Å
954F92.7Very high89Confident88 Ų8848 Ų4839%0.38626%0.26SS..Hα-helixtrans-63.3-34.1178.3-76.9-66.8000113P950 K951 V952 W956 I957 F958P950-F954 WeakPolarHBondContact O-CD2 3.16Å; P950-F954 PolarHBondContact O-N 3.18Å; K951-F954 PolarHBondContact O-N 2.9Å; V952-F954 PolarHBondContact O-N 3.18Å; F954-W956 VanDerWaalsContact C-N 3.31Å; F954-W956 PolarHBondContact O-N 2.88Å; F954-I957 PolarHBondContact O-N 3.27Å; F954-F958 HydrophobicContact CB-CD2 4.33Å; F954-F958 HydrophobicContact CB-CE2 4.07Å; F954-F958 WeakPolarHBondContact O-CD2 3.41Å; F954-F958 WeakPolarHBondContact O-CG 3.46Å; F954-F958 PolarHBondContact O-N 3.17Å
955C93.2Very high89.9Confident56 Ų5645.9 Ų45.938%0.37824%0.24SC..Hα-helixtrans-59.1-41.5173.8-173.50000112.1K951 V952 F953 N959K951-C955 WeakPolarHBondContact O-CB 3.28Å; K951-C955 PolarHBondContact O-N 2.85Å; V952-C955 VanDerWaalsContact O-CB 3.3Å; V952-C955 WeakPolarHBondContact O-CB 3.45Å; V952-C955 PolarHBondContact O-N 3.13Å; V952-C955 VanDerWaalsContact O-N 3.09Å; F953-C955 VanDerWaalsContact C-N 3.3Å; F953-C955 PolarHBondContact O-N 2.78Å; C955-N959 WeakPolarHBondContact O-CB 3.21Å; C955-N959 PolarHBondContact O-N 2.82Å
956W94.1Very high90.7Very high37 Ų3746.3 Ų46.314%0.1424%0.241CC..Hα-helixtrans-67-39.2174.3-79.289.8000112.7L872 Y876 V952 F953 F954 N959 S960 E1011L872-W956 HydrophobicContact CB-CD2 4.09Å; L872-W956 HydrophobicContact CB-CG 4.19Å; L872-W956 HydrophobicContact CB-CZ2 4.4Å; L872-W956 HydrophobicContact CD2-CG 4.45Å; Y876-W956 HydrophobicContact CD2-CE3 4.36Å; Y876-W956 AromaticContact CG-CE3 3.98Å; Y876-W956 HydrophobicContact CG-CE3 3.98Å; Y876-W956 HydrophobicContact CG-CZ3 4.31Å; V952-W956 VanDerWaalsContact O-CD1 3.23Å; V952-W956 PolarHBondContact O-N 3.43Å; F953-W956 WeakPolarHBondContact O-CB 3.33Å; F953-W956 PolarHBondContact O-N 3.23Å; F953-W956 VanDerWaalsContact O-N 3.12Å; F954-W956 VanDerWaalsContact C-N 3.31Å; F954-W956 PolarHBondContact O-N 2.88Å; W956-N959 WeakPolarHBondContact O-CB 3.22Å; W956-N959 PolarHBondContact O-N 3.27Å; W956-S960 PolarHBondContact O-N 3.32Å; W956-E1011 HydrophobicContact CH2-CG 3.77Å
957I92.4Very high91.8Very high17 Ų1744.2 Ų44.29%0.08722%0.223CC..Hα-helixtrans-64-46.2175.4-61.6-57.2000111.1L258 F875 V879 F953 F954 N959 S960 I961L258-I957 HydrophobicContact CD2-CD1 3.94Å; F875-I957 HydrophobicContact CB-CD1 4.38Å; V879-I957 HydrophobicContact CG2-CD1 4.02Å; F953-I957 HydrophobicContact CD1-CG1 4.4Å; F953-I957 HydrophobicContact CE1-CG1 3.94Å; F953-I957 HydrophobicContact CE2-CD1 4.02Å; F953-I957 HydrophobicContact CE2-CG1 4.06Å; F953-I957 HydrophobicContact CZ-CD1 3.91Å; F953-I957 HydrophobicContact CZ-CG1 3.75Å; F953-I957 WeakPolarHBondContact O-CG1 3.25Å; F953-I957 PolarHBondContact O-N 3.05Å; F953-I957 VanDerWaalsContact O-N 3.08Å; F954-I957 PolarHBondContact O-N 3.27Å; I957-N959 VanDerWaalsContact C-N 3.28Å; I957-N959 PolarHBondContact O-N 3.07Å; I957-S960 VanDerWaalsContact O-CB 3.3Å; I957-S960 WeakPolarHBondContact O-CB 3.27Å; I957-S960 PolarHBondContact O-N 2.93Å; I957-S960 VanDerWaalsContact O-N 3.09Å; I957-I961 HydrophobicContact CG2-CD1 4.23Å; I957-I961 WeakPolarHBondContact O-CG1 3.37Å; I957-I961 PolarHBondContact O-N 3.21Å
958F94.2Very high92.6Very high132 Ų13242.2 Ų42.258%0.57921%0.209SC*.Hα-helixtrans-62.7-35.7175.7-71.3-56.2000112.4F954 S960 I961 Y962F954-F958 HydrophobicContact CB-CD2 4.33Å; F954-F958 HydrophobicContact CB-CE2 4.07Å; F954-F958 WeakPolarHBondContact O-CD2 3.41Å; F954-F958 WeakPolarHBondContact O-CG 3.46Å; F954-F958 PolarHBondContact O-N 3.17Å; F958-S960 VanDerWaalsContact C-N 3.32Å; F958-I961 HydrophobicContact CD1-CD1 4.12Å; F958-I961 PolarHBondContact O-N 3.47Å; F958-Y962 PolarHBondContact O-N 3.39Å
959N93.9Very high93.1Very high5 Ų546.7 Ų46.73%0.02723%0.226CC..Hα-helixtrans-63.6-40.1173-165.128.1000112.2C955 W956 I957 Y962 H963 R1077 D1078C955-N959 WeakPolarHBondContact O-CB 3.21Å; C955-N959 PolarHBondContact O-N 2.82Å; W956-N959 WeakPolarHBondContact O-CB 3.22Å; W956-N959 PolarHBondContact O-N 3.27Å; I957-N959 VanDerWaalsContact C-N 3.28Å; I957-N959 PolarHBondContact O-N 3.07Å; N959-Y962 WeakPolarHBondContact O-CB 3.26Å; N959-Y962 PolarHBondContact O-N 3.46Å; N959-H963 PolarHBondContact O-N 3.01Å; N959-R1077 VanDerWaalsContact OD1-CZ 3.26Å; N959-R1077 PolarHBondContact OD1-NH1 3.36Å; N959-D1078 PolarHBondContact ND2-OD1 3.45Å; N959-D1078 PolarHBondContact ND2-OD2 3.4Å; N959-D1078 PolarHBondContact OD1-OD1 2.97Å
960S94Very high93.4Very high0 Ų046.9 Ų46.90%023%0.226CC..Hα-helixtrans-62.3-43175.5177.10000112.4Y876 V879 C880 W956 I957 F958 Y962 H963 S964Y876-S960 PolarHBondContact O-OG 2.91Å; V879-S960 VanDerWaalsContact CB-OG 3.27Å; V879-S960 WeakPolarHBondContact CB-OG 3.43Å; V879-S960 WeakPolarHBondContact CG1-OG 3.48Å; C880-S960 WeakPolarHBondContact CA-OG 3.39Å; C880-S960 WeakPolarHBondContact CB-OG 3.36Å; C880-S960 PolarHBondContact N-OG 2.72Å; W956-S960 PolarHBondContact O-N 3.32Å; I957-S960 VanDerWaalsContact O-CB 3.3Å; I957-S960 WeakPolarHBondContact O-CB 3.27Å; I957-S960 PolarHBondContact O-N 2.93Å; I957-S960 VanDerWaalsContact O-N 3.09Å; F958-S960 VanDerWaalsContact C-N 3.32Å; S960-Y962 VanDerWaalsContact C-N 3.32Å; S960-Y962 PolarHBondContact O-N 3.2Å; S960-H963 PolarHBondContact O-N 3.03Å; S960-S964 WeakPolarHBondContact O-CB 3.31Å; S960-S964 PolarHBondContact O-N 3.41Å; S960-S964 PolarHBondContact O-OG 3.07Å; S960-S964 VanDerWaalsContact O-OG 3.09Å
961I93.6Very high93.6Very high60 Ų6043.4 Ų43.431%0.30820%0.204SC..Hα-helixtrans-59.7-44.6174.2-63.5167.4000110.4L883 W887 I957 F958 S964 S965L883-I961 HydrophobicContact CD2-CB 3.98Å; L883-I961 HydrophobicContact CD2-CG1 3.66Å; L883-I961 HydrophobicContact CD2-CG2 3.92Å; W887-I961 HydrophobicContact CZ2-CG2 4.36Å; I957-I961 HydrophobicContact CG2-CD1 4.23Å; I957-I961 WeakPolarHBondContact O-CG1 3.37Å; I957-I961 PolarHBondContact O-N 3.21Å; F958-I961 HydrophobicContact CD1-CD1 4.12Å; F958-I961 PolarHBondContact O-N 3.47Å; I961-S964 PolarHBondContact O-OG 3.07Å; I961-S965 PolarHBondContact O-N 3.23Å; I961-S965 VanDerWaalsContact O-N 3.13Å; I961-S965 PolarHBondContact O-OG 3.49Å
962Y95Very high93.6Very high81 Ų8136.8 Ų36.832%0.31818%0.177SC..Hα-helixtrans-62.4-46.3176.8172.8-108.1000113F958 N959 S960 S965 L966 R1077F958-Y962 PolarHBondContact O-N 3.39Å; N959-Y962 WeakPolarHBondContact O-CB 3.26Å; N959-Y962 PolarHBondContact O-N 3.46Å; S960-Y962 VanDerWaalsContact C-N 3.32Å; S960-Y962 PolarHBondContact O-N 3.2Å; Y962-S965 PolarHBondContact O-OG 2.68Å; Y962-L966 HydrophobicContact CD1-CD1 4.44Å; Y962-L966 HydrophobicContact CD2-CD1 4.45Å; Y962-L966 HydrophobicContact CE1-CD1 3.78Å; Y962-L966 HydrophobicContact CE2-CD1 3.81Å; Y962-L966 HydrophobicContact CE2-CG 4.29Å; Y962-L966 VanDerWaalsContact CZ-CD1 3.43Å; Y962-L966 PolarHBondContact O-N 2.95Å; Y962-R1077 HydrophobicContact CE1-CB 3.85Å; Y962-R1077 HydrophobicContact CE1-CG 3.99Å
963H95.9Very high93.6Very high0 Ų040.6 Ų40.60%020%0.196CC..Hα-helixtrans-66.9-43.7177.9-74.2-175.4000112.4Y876 N959 S960 S965 L966 L967 A1074 D1078Y876-H963 AromaticContact CE2-ND1 3.64Å; Y876-H963 AromaticContact CZ-ND1 3.57Å; Y876-H963 PolarHBondContact OH-ND1 2.85Å; N959-H963 PolarHBondContact O-N 3.01Å; S960-H963 PolarHBondContact O-N 3.03Å; H963-S965 VanDerWaalsContact C-N 3.29Å; H963-S965 PolarHBondContact O-N 3.34Å; H963-L966 PolarHBondContact O-N 3Å; H963-L967 HydrophobicContact CB-CD1 4.29Å; H963-L967 VanDerWaalsContact O-CB 3.28Å; H963-L967 WeakPolarHBondContact O-CB 3.26Å; H963-L967 WeakPolarHBondContact O-CD1 3.47Å; H963-L967 WeakPolarHBondContact O-CG 3.44Å; H963-L967 PolarHBondContact O-N 3.35Å; H963-A1074 PolarHBondContact NE2-O 2.86Å; H963-A1074 VanDerWaalsContact NE2-O 3.12Å; H963-D1078 IonicContact CE1-OD2 3.37Å; H963-D1078 PolarHBondContact CE1-OD2 3.2Å; H963-D1078 IonicContact NE2-OD2 3.83Å
964S94.5Very high93.5Very high0 Ų042.5 Ų42.50%021%0.211CC..Hα-helixtrans-61.4-35.3179.563.60000113.2C880 L883 W887 S960 I961 F968C880-S964 WeakPolarHBondContact O-CB 3.31Å; L883-S964 WeakPolarHBondContact CD2-OG 3.49Å; W887-S964 PolarHBondContact NE1-OG 3.4Å; S960-S964 WeakPolarHBondContact O-CB 3.31Å; S960-S964 PolarHBondContact O-N 3.41Å; S960-S964 PolarHBondContact O-OG 3.07Å; S960-S964 VanDerWaalsContact O-OG 3.09Å; I961-S964 PolarHBondContact O-OG 3.07Å; S964-F968 WeakPolarHBondContact O-CB 3.03Å; S964-F968 PolarHBondContact O-N 3.34Å
965S94.4Very high93.2Very high30 Ų3039 Ų3921%0.2120%0.196CC..Hα-helixtrans-68.5-47.1177.367.60000111.1I961 Y962 H963 L967 F968 W969I961-S965 PolarHBondContact O-N 3.23Å; I961-S965 VanDerWaalsContact O-N 3.13Å; I961-S965 PolarHBondContact O-OG 3.49Å; Y962-S965 PolarHBondContact O-OG 2.68Å; H963-S965 VanDerWaalsContact C-N 3.29Å; H963-S965 PolarHBondContact O-N 3.34Å; S965-L967 PolarHBondContact O-N 2.91Å; S965-F968 PolarHBondContact O-N 2.91Å; S965-W969 WeakPolarHBondContact O-CB 3.27Å; S965-W969 PolarHBondContact O-N 2.98Å
966L94.9Very high92.7Very high36 Ų3640.5 Ų40.519%0.18821%0.207CC..Hα-helixtrans-61.8-44.4176.7-66.3179.1000112.2Y962 H963 F968 I970 I1073 A1074Y962-L966 HydrophobicContact CD1-CD1 4.44Å; Y962-L966 HydrophobicContact CD2-CD1 4.45Å; Y962-L966 HydrophobicContact CE1-CD1 3.78Å; Y962-L966 HydrophobicContact CE2-CD1 3.81Å; Y962-L966 HydrophobicContact CE2-CG 4.29Å; Y962-L966 VanDerWaalsContact CZ-CD1 3.43Å; Y962-L966 PolarHBondContact O-N 2.95Å; H963-L966 PolarHBondContact O-N 3Å; L966-F968 PolarHBondContact O-N 3.38Å; L966-I970 HydrophobicContact CB-CD1 4.18Å; L966-I970 HydrophobicContact CD2-CD1 4.04Å; L966-I970 WeakPolarHBondContact O-CB 3.37Å; L966-I970 WeakPolarHBondContact O-CG1 3.33Å; L966-I970 PolarHBondContact O-N 2.98Å; L966-I1073 HydrophobicContact CD1-CG2 4.45Å; L966-A1074 HydrophobicContact CD1-CB 4.46Å
967L95.1Very high91.8Very high0 Ų042.8 Ų42.80%023%0.225CC..Hα-helixtrans-67.1-17.9-178.1-71.3167000113.4I884 H963 S965 P971 V1000 T1003 I1070I884-L967 HydrophobicContact CD1-CB 4.19Å; H963-L967 HydrophobicContact CB-CD1 4.29Å; H963-L967 VanDerWaalsContact O-CB 3.28Å; H963-L967 WeakPolarHBondContact O-CB 3.26Å; H963-L967 WeakPolarHBondContact O-CD1 3.47Å; H963-L967 WeakPolarHBondContact O-CG 3.44Å; H963-L967 PolarHBondContact O-N 3.35Å; S965-L967 PolarHBondContact O-N 2.91Å; L967-P971 WeakPolarHBondContact O-CD 3.41Å; L967-P971 WeakPolarHBondContact O-CG 3.48Å; L967-V1000 HydrophobicContact CB-CG2 4.24Å; L967-V1000 HydrophobicContact CD1-CG2 3.97Å; L967-T1003 HydrophobicContact CD1-CG2 4.24Å; L967-T1003 WeakPolarHBondContact CD2-OG1 3.47Å; L967-I1070 HydrophobicContact CD2-CG2 3.82Å
968F94.1Very high90.7Very high1 Ų144.6 Ų44.60%0.00425%0.247CC..Hα-helixtrans-101.1-51.6176.6179-106.9000112.9I884 W887 F888 L891 S964 S965 L966 P971 L972I884-F968 HydrophobicContact CG1-CB 4.29Å; I884-F968 HydrophobicContact CG2-CB 4.07Å; I884-F968 HydrophobicContact CG2-CD2 3.59Å; I884-F968 HydrophobicContact CG2-CE2 4.4Å; I884-F968 HydrophobicContact CG2-CG 4.12Å; W887-F968 HydrophobicContact CB-CB 4.41Å; W887-F968 HydrophobicContact CB-CD1 3.32Å; W887-F968 HydrophobicContact CB-CE1 3.62Å; W887-F968 HydrophobicContact CB-CG 3.9Å; W887-F968 HydrophobicContact CB-CZ 4.42Å; W887-F968 HydrophobicContact CG-CD1 4.19Å; F888-F968 HydrophobicContact CB-CE2 3.88Å; F888-F968 HydrophobicContact CB-CZ 3.8Å; F888-F968 HydrophobicContact CD2-CE2 4.23Å; F888-F968 HydrophobicContact CD2-CZ 4.1Å; F888-F968 HydrophobicContact CG-CZ 4.48Å; L891-F968 HydrophobicContact CD1-CE1 3.92Å; L891-F968 HydrophobicContact CD1-CZ 3.76Å; S964-F968 WeakPolarHBondContact O-CB 3.03Å; S964-F968 PolarHBondContact O-N 3.34Å; S965-F968 PolarHBondContact O-N 2.91Å; L966-F968 PolarHBondContact O-N 3.38Å; F968-P971 WeakPolarHBondContact O-CD 2.79Å; F968-L972 HydrophobicContact CE1-CD2 4.19Å; F968-L972 HydrophobicContact CZ-CD2 4.41Å; F968-L972 WeakPolarHBondContact O-CB 3.19Å; F968-L972 PolarHBondContact O-N 3.34Å; F968-L972 VanDerWaalsContact O-N 3.09Å
969W94Very high89.7Confident95 Ų9542.8 Ų42.836%0.3625%0.247SC..Hα-helixtrans-71-35.3-172.5-70.2108.8000112.8L891 S965 L972 L973L891-W969 HydrophobicContact CD1-CZ3 4.49Å; L891-W969 HydrophobicContact CD2-CH2 4.13Å; L891-W969 HydrophobicContact CD2-CZ3 4.32Å; L891-W969 HydrophobicContact CG-CH2 4.49Å; S965-W969 WeakPolarHBondContact O-CB 3.27Å; S965-W969 PolarHBondContact O-N 2.98Å; W969-L972 HydrophobicContact CE3-CD2 3.72Å; W969-L972 HydrophobicContact CZ3-CD2 3.73Å; W969-L972 PolarHBondContact O-N 3.08Å; W969-L973 WeakPolarHBondContact O-CB 3.4Å; W969-L973 VanDerWaalsContact O-CG 3.28Å; W969-L973 WeakPolarHBondContact O-CG 3.42Å; W969-L973 PolarHBondContact O-N 3.09Å
970I93.7Very high88.9Confident50 Ų5043.1 Ų43.126%0.25625%0.25SC..Hα-helixtrans-67.6-50.2178.9-59.8172.9000111.3L966 L972 L973 A974 I1070 I1073L966-I970 HydrophobicContact CB-CD1 4.18Å; L966-I970 HydrophobicContact CD2-CD1 4.04Å; L966-I970 WeakPolarHBondContact O-CB 3.37Å; L966-I970 WeakPolarHBondContact O-CG1 3.33Å; L966-I970 PolarHBondContact O-N 2.98Å; I970-L972 VanDerWaalsContact C-N 3.33Å; I970-L972 PolarHBondContact O-N 2.91Å; I970-L973 PolarHBondContact O-N 3.27Å; I970-A974 PolarHBondContact O-N 3.35Å; I970-I1070 HydrophobicContact CB-CD1 4.32Å; I970-I1070 HydrophobicContact CG2-CD1 3.81Å; I970-I1070 HydrophobicContact CG2-CG1 3.86Å; I970-I1073 HydrophobicContact CD1-CG2 4.47Å
971P91.8Very high88.3Confident1 Ų144.5 Ų44.51%0.00626%0.255CS..Hα-helixtrans-58.2-43.4172.9-27.537.1000112.8L967 F968 L973 A974 F975 L992 V996 Y999 I1070L967-P971 WeakPolarHBondContact O-CD 3.41Å; L967-P971 WeakPolarHBondContact O-CG 3.48Å; F968-P971 WeakPolarHBondContact O-CD 2.79Å; P971-L973 VanDerWaalsContact C-N 3.29Å; P971-L973 PolarHBondContact O-N 3.02Å; P971-A974 WeakPolarHBondContact O-CB 3.14Å; P971-A974 PolarHBondContact O-N 2.83Å; P971-F975 HydrophobicContact CB-CD2 4.45Å; P971-F975 VanDerWaalsContact O-CD2 3.27Å; P971-F975 WeakPolarHBondContact O-CD2 3.25Å; P971-F975 PolarHBondContact O-N 3.37Å; P971-L992 HydrophobicContact CB-CD1 4.14Å; P971-V996 HydrophobicContact CB-CG2 3.73Å; P971-V996 HydrophobicContact CG-CG2 3.98Å; P971-Y999 HydrophobicContact CB-CD2 4.38Å; P971-Y999 HydrophobicContact CB-CE2 4.04Å; P971-Y999 HydrophobicContact CG-CD2 3.57Å; P971-Y999 HydrophobicContact CG-CE2 3.64Å; P971-I1070 HydrophobicContact CG-CD1 3.6Å
972L91.2Very high87.5Confident43 Ų4347.4 Ų47.423%0.22529%0.288CS..Hα-helixtrans-57.2-44.4179.5-177.873.1000111.9L891 F968 W969 I970 F975 S976 L992L891-L972 HydrophobicContact CD1-CD1 4.16Å; L891-L972 HydrophobicContact CD1-CD2 3.38Å; L891-L972 HydrophobicContact CD1-CG 4.42Å; F968-L972 HydrophobicContact CE1-CD2 4.19Å; F968-L972 HydrophobicContact CZ-CD2 4.41Å; F968-L972 WeakPolarHBondContact O-CB 3.19Å; F968-L972 PolarHBondContact O-N 3.34Å; F968-L972 VanDerWaalsContact O-N 3.09Å; W969-L972 HydrophobicContact CE3-CD2 3.72Å; W969-L972 HydrophobicContact CZ3-CD2 3.73Å; W969-L972 PolarHBondContact O-N 3.08Å; I970-L972 VanDerWaalsContact C-N 3.33Å; I970-L972 PolarHBondContact O-N 2.91Å; L972-F975 PolarHBondContact O-N 3.34Å; L972-S976 PolarHBondContact O-N 3.48Å; L972-S976 VanDerWaalsContact O-N 3.14Å; L972-L992 HydrophobicContact CD1-CD2 3.91Å
973L91.2Very high86.9Confident120 Ų12048.7 Ų48.763%0.62830%0.3SS*.Hα-helixtrans-64.1-41.1175.1-71.7169.3000111.6W969 I970 P971 F975 S976W969-L973 WeakPolarHBondContact O-CB 3.4Å; W969-L973 VanDerWaalsContact O-CG 3.28Å; W969-L973 WeakPolarHBondContact O-CG 3.42Å; W969-L973 PolarHBondContact O-N 3.09Å; I970-L973 PolarHBondContact O-N 3.27Å; P971-L973 VanDerWaalsContact C-N 3.29Å; P971-L973 PolarHBondContact O-N 3.02Å; L973-F975 PolarHBondContact O-N 2.91Å; L973-S976 WeakPolarHBondContact O-CB 3.19Å; L973-S976 PolarHBondContact O-N 2.89Å; L973-S976 PolarHBondContact O-OG 3.03Å
974A88.5Confident86.1Confident40 Ų4050.9 Ų50.933%0.33132%0.323SS..Hα-helixtrans-64.9-38.5178.500000113I970 P971 S976 I1062I970-A974 PolarHBondContact O-N 3.35Å; P971-A974 WeakPolarHBondContact O-CB 3.14Å; P971-A974 PolarHBondContact O-N 2.83Å; A974-S976 VanDerWaalsContact C-N 3.31Å; A974-I1062 HydrophobicContact CB-CG2 3.84Å
975F86.9Confident85.5Confident16 Ų1656.4 Ų56.47%0.0735%0.349CS..THydrogen-bonded Turntrans-82.5-2.9177.3-79.3-83.4000113.8P971 L972 L973 V977 V980 V991 L992 S995 I1062P971-F975 HydrophobicContact CB-CD2 4.45Å; P971-F975 VanDerWaalsContact O-CD2 3.27Å; P971-F975 WeakPolarHBondContact O-CD2 3.25Å; P971-F975 PolarHBondContact O-N 3.37Å; L972-F975 PolarHBondContact O-N 3.34Å; L973-F975 PolarHBondContact O-N 2.91Å; F975-V977 PolarHBondContact O-N 3.09Å; F975-V980 HydrophobicContact CD1-CG1 4.09Å; F975-V980 HydrophobicContact CD1-CG2 4.14Å; F975-V980 HydrophobicContact CE1-CG1 3.9Å; F975-V991 HydrophobicContact CE1-CG1 4.03Å; F975-V991 HydrophobicContact CZ-CG1 4.44Å; F975-L992 HydrophobicContact CB-CD1 4.2Å; F975-L992 HydrophobicContact CD2-CD1 3.59Å; F975-L992 HydrophobicContact CE2-CD1 4.24Å; F975-L992 HydrophobicContact CG-CD1 4.05Å; F975-S995 WeakPolarHBondContact CZ-OG 3.41Å; F975-I1062 HydrophobicContact CD2-CG2 4.45Å; F975-I1062 HydrophobicContact CE2-CG2 4.25Å; F975-I1062 HydrophobicContact CZ-CG2 4.33Å
976S83.5Confident84.9Confident87 Ų8760.2 Ų60.261%0.60837%0.37SS*.THydrogen-bonded Turntrans-68.8-14.817871.60000113.6L972 L973 A974 G978L972-S976 PolarHBondContact O-N 3.48Å; L972-S976 VanDerWaalsContact O-N 3.14Å; L973-S976 WeakPolarHBondContact O-CB 3.19Å; L973-S976 PolarHBondContact O-N 2.89Å; L973-S976 PolarHBondContact O-OG 3.03Å; A974-S976 VanDerWaalsContact C-N 3.31Å; S976-G978 PolarHBondContact O-N 3.14Å
977V75Confident84.2Confident85 Ų8560.2 Ų60.252%0.51537%0.373SS..SBendtrans-73.6116.6174.5-174.50000109.2F975 T979 V980F975-V977 PolarHBondContact O-N 3.09Å; V977-T979 VanDerWaalsContact C-N 3.28Å; V977-T979 PolarHBondContact O-N 2.97Å; V977-T979 VanDerWaalsContact O-N 3.1Å; V977-V980 WeakPolarHBondContact O-CG2 3.44Å
978G68.8Low83.7Confident54 Ų5462.9 Ų62.956%0.55739%0.392SS*.SBendtrans-57.2-29.4-168.400000116.3S976 T986S976-G978 PolarHBondContact O-N 3.14Å; G978-T986 WeakPolarHBondContact O-CG2 3.28Å
979T73.2Confident83.3Confident94 Ų9465.9 Ų65.958%0.57741%0.408SS*.  trans-110.895.9178.151.90000110.6V977V977-T979 VanDerWaalsContact C-N 3.28Å; V977-T979 PolarHBondContact O-N 2.97Å; V977-T979 VanDerWaalsContact O-N 3.1Å
980V76.7Confident83.1Confident13 Ų1363.5 Ų63.58%0.07940%0.402CS..  trans-85.3-31.8-175.6177.20000111.8F975 V977 C1060 I1062F975-V980 HydrophobicContact CD1-CG1 4.09Å; F975-V980 HydrophobicContact CD1-CG2 4.14Å; F975-V980 HydrophobicContact CE1-CG1 3.9Å; V977-V980 WeakPolarHBondContact O-CG2 3.44Å; V980-C1060 HydrophobicContact CG1-CB 4.47Å; V980-C1060 WeakPolarHBondContact CG1-SG 3.34Å; V980-I1062 HydrophobicContact CG1-CD1 4.11Å; V980-I1062 HydrophobicContact CG2-CD1 4.5Å
981Y81.4Confident82.9Confident29 Ų2961.3 Ų61.311%0.11439%0.391CS..SBendtrans-102.5147.9-177.1-61.5-78.4000112N983 G984 Q985 A1056 C1060Y981-N983 WeakPolarHBondContact CB-OD1 3.44Å; Y981-N983 PolarHBondContact O-N 2.99Å; Y981-N983 VanDerWaalsContact O-N 3.13Å; Y981-G984 PolarHBondContact O-N 3.03Å; Y981-Q985 HydrophobicContact CD2-CB 3.81Å; Y981-Q985 WeakPolarHBondContact CD2-O 2.99Å; Y981-Q985 HydrophobicContact CG-CB 4.4Å; Y981-A1056 WeakPolarHBondContact CE1-O 3.45Å; Y981-A1056 PolarHBondContact OH-O 2.98Å; Y981-C1060 HydrophobicContact CE1-CB 3.89Å
982A78.6Confident82.8Confident120 Ų12062 Ų6299%0.99240%0.395SS*.THydrogen-bonded Turntrans-62.1-20.3177.600000113.6G984A982-G984 VanDerWaalsContact C-N 3.32Å
983N80.9Confident82.9Confident108 Ų10860 Ų6058%0.57838%0.384SS*.THydrogen-bonded Turntrans-86.13.2176.166.81.2000113.7Y981 Q985Y981-N983 WeakPolarHBondContact CB-OD1 3.44Å; Y981-N983 PolarHBondContact O-N 2.99Å; Y981-N983 VanDerWaalsContact O-N 3.13Å; N983-Q985 VanDerWaalsContact ND2-CD 3.26Å; N983-Q985 PolarHBondContact ND2-OE1 3.47Å; N983-Q985 WeakPolarHBondContact OD1-CB 3.41Å; N983-Q985 WeakPolarHBondContact OD1-CG 3.27Å; N983-Q985 PolarHBondContact OD1-N 3.32Å; N983-Q985 VanDerWaalsContact OD1-N 3.07Å
984G79.6Confident82.9Confident46 Ų4654.6 Ų54.647%0.47436%0.356SS..SBendtrans82.44.9179.500000115.4Y981 A982Y981-G984 PolarHBondContact O-N 3.03Å; A982-G984 VanDerWaalsContact C-N 3.32Å
985Q82.4Confident83.1Confident117 Ų11752.7 Ų52.755%0.54734%0.34SS..PPolyproline II helixtrans-71.5151.4175.2-68.8177.2-23.300111.7Y981 N983Y981-Q985 HydrophobicContact CD2-CB 3.81Å; Y981-Q985 WeakPolarHBondContact CD2-O 2.99Å; Y981-Q985 HydrophobicContact CG-CB 4.4Å; N983-Q985 VanDerWaalsContact ND2-CD 3.26Å; N983-Q985 PolarHBondContact ND2-OE1 3.47Å; N983-Q985 WeakPolarHBondContact OD1-CB 3.41Å; N983-Q985 WeakPolarHBondContact OD1-CG 3.27Å; N983-Q985 PolarHBondContact OD1-N 3.32Å; N983-Q985 VanDerWaalsContact OD1-N 3.07Å
986T82.1Confident83.5Confident109 Ų10952 Ų5267%0.66934%0.337SS*.PPolyproline II helixtrans-92154.4174.961.90000110.6G978G978-T986 WeakPolarHBondContact O-CG2 3.28Å
987S80.1Confident84Confident36 Ų3647.9 Ų47.925%0.25231%0.308SS..PPolyproline II helixtrans-82142.4176.558.30000112.1
988S83.5Confident84.9Confident56 Ų5643.8 Ų43.839%0.39228%0.284SS..PPolyproline II helixtrans-87.1164.5171.2720000112.2L990 V991 L992S988-L990 PolarHBondContact O-N 3.31Å; S988-V991 PolarHBondContact O-N 3.4Å; S988-V991 VanDerWaalsContact O-N 3.12Å; S988-V991 WeakPolarHBondContact OG-CG2 3.43Å; S988-V991 PolarHBondContact OG-N 2.95Å; S988-L992 PolarHBondContact O-N 3.24Å
989L86.9Confident86.2Confident64 Ų6441.3 Ų41.334%0.33526%0.257SS..Hα-helixtrans-55.2-36.7173.4176.163000112F888 Q897 L992 G993F888-L989 HydrophobicContact CE2-CD1 3.55Å; F888-L989 HydrophobicContact CZ-CD1 3.64Å; F888-L989 HydrophobicContact CZ-CD2 3.91Å; F888-L989 HydrophobicContact CZ-CG 4.44Å; Q897-L989 HydrophobicContact CG-CD2 4.37Å; L989-L992 PolarHBondContact O-N 3.01Å; L989-G993 PolarHBondContact O-N 3.34Å
990L88.3Confident87.2Confident46 Ų4636.8 Ų36.824%0.24123%0.23CC..Hα-helixtrans-71.2-32.1-179.5-65.1173.3000112.1S988 G993 N994 D1049 M1050 M1053S988-L990 PolarHBondContact O-N 3.31Å; L990-G993 PolarHBondContact O-N 3.42Å; L990-N994 WeakPolarHBondContact O-CB 3.37Å; L990-N994 PolarHBondContact O-N 3.4Å; L990-N994 PolarHBondContact O-ND2 3.24Å; L990-D1049 HydrophobicContact CD1-CB 4.11Å; L990-D1049 WeakPolarHBondContact CD1-O 3.38Å; L990-M1050 HydrophobicContact CB-CE 4.13Å; L990-M1050 HydrophobicContact CD1-CE 3.86Å; L990-M1050 HydrophobicContact CD2-CE 3.83Å; L990-M1050 HydrophobicContact CG-CE 4.15Å; L990-M1053 HydrophobicContact CB-CE 3.52Å; L990-M1053 HydrophobicContact CB-SD 3.92Å; L990-M1053 HydrophobicContact CD1-CE 3.64Å; L990-M1053 HydrophobicContact CG-CE 4.23Å
991V90.2Very high88.1Confident3 Ų336.2 Ų36.22%0.01823%0.226CC..Hα-helixtrans-65.6-44.4172.1173.60000110.3F975 S988 S995 M1053 A1056 V1057F975-V991 HydrophobicContact CE1-CG1 4.03Å; F975-V991 HydrophobicContact CZ-CG1 4.44Å; S988-V991 PolarHBondContact O-N 3.4Å; S988-V991 VanDerWaalsContact O-N 3.12Å; S988-V991 WeakPolarHBondContact OG-CG2 3.43Å; S988-V991 PolarHBondContact OG-N 2.95Å; V991-S995 VanDerWaalsContact O-CB 3.31Å; V991-S995 WeakPolarHBondContact O-CB 3.18Å; V991-S995 PolarHBondContact O-N 3.42Å; V991-S995 PolarHBondContact O-OG 3.22Å; V991-M1053 HydrophobicContact CG2-SD 4.19Å; V991-A1056 HydrophobicContact CG2-CB 3.95Å; V991-V1057 HydrophobicContact CG1-CG2 4.45Å
992L90.7Very high88.7Confident17 Ų1735.2 Ų35.29%0.08922%0.223CC..Hα-helixtrans-60.9-46.8173.3175.965.2000110.9P971 L972 F975 S988 L989 S995 V996P971-L992 HydrophobicContact CB-CD1 4.14Å; L972-L992 HydrophobicContact CD1-CD2 3.91Å; F975-L992 HydrophobicContact CB-CD1 4.2Å; F975-L992 HydrophobicContact CD2-CD1 3.59Å; F975-L992 HydrophobicContact CE2-CD1 4.24Å; F975-L992 HydrophobicContact CG-CD1 4.05Å; S988-L992 PolarHBondContact O-N 3.24Å; L989-L992 PolarHBondContact O-N 3.01Å; L992-S995 WeakPolarHBondContact O-CB 3.27Å; L992-S995 PolarHBondContact O-N 3.42Å; L992-V996 HydrophobicContact CD1-CG2 4.01Å; L992-V996 HydrophobicContact CG-CG2 4.37Å; L992-V996 WeakPolarHBondContact O-CB 3.35Å; L992-V996 VanDerWaalsContact O-CG2 3.3Å; L992-V996 WeakPolarHBondContact O-CG2 3.18Å; L992-V996 PolarHBondContact O-N 3.25Å
993G91.4Very high89.5Confident1 Ų129.5 Ų29.51%0.0118%0.176CC..Hα-helixtrans-61.3-46.9-179.400000113.1F900 L989 L990 S995 V996 Y997F900-G993 WeakPolarHBondContact CD1-O 3.37Å; F900-G993 WeakPolarHBondContact CE1-O 3.25Å; L989-G993 PolarHBondContact O-N 3.34Å; L990-G993 PolarHBondContact O-N 3.42Å; G993-S995 VanDerWaalsContact C-N 3.34Å; G993-S995 PolarHBondContact O-N 2.87Å; G993-V996 PolarHBondContact O-N 3.08Å; G993-Y997 VanDerWaalsContact O-CB 3.25Å; G993-Y997 WeakPolarHBondContact O-CB 3.5Å; G993-Y997 PolarHBondContact O-N 3.27Å
994N92.4Very high90.2Very high6 Ų624.4 Ų24.43%0.03215%0.149CC..Hα-helixtrans-66.1-35175.7-77.9-53000112.3L990 T998 L1034 V1057L990-N994 WeakPolarHBondContact O-CB 3.37Å; L990-N994 PolarHBondContact O-N 3.4Å; L990-N994 PolarHBondContact O-ND2 3.24Å; N994-T998 WeakPolarHBondContact O-CB 3.49Å; N994-T998 PolarHBondContact O-N 2.98Å; N994-T998 PolarHBondContact O-OG1 3.49Å; N994-L1034 HydrophobicContact CB-CD1 4.32Å; N994-V1057 HydrophobicContact CB-CG2 3.82Å
995S92.7Very high91Very high0 Ų022.2 Ų22.20%013%0.126CC..Hα-helixtrans-64.7-51.9174.4-59.40000111.4F975 V991 L992 G993 Y997 T998 Y999F975-S995 WeakPolarHBondContact CZ-OG 3.41Å; V991-S995 VanDerWaalsContact O-CB 3.31Å; V991-S995 WeakPolarHBondContact O-CB 3.18Å; V991-S995 PolarHBondContact O-N 3.42Å; V991-S995 PolarHBondContact O-OG 3.22Å; L992-S995 WeakPolarHBondContact O-CB 3.27Å; L992-S995 PolarHBondContact O-N 3.42Å; G993-S995 VanDerWaalsContact C-N 3.34Å; G993-S995 PolarHBondContact O-N 2.87Å; S995-Y997 VanDerWaalsContact C-N 3.33Å; S995-Y997 PolarHBondContact O-N 3.46Å; S995-T998 WeakPolarHBondContact O-CB 3.33Å; S995-T998 PolarHBondContact O-N 3.42Å; S995-Y999 WeakPolarHBondContact O-CD1 3.27Å; S995-Y999 VanDerWaalsContact O-CD2 3.26Å; S995-Y999 WeakPolarHBondContact O-CD2 3.5Å; S995-Y999 PolarHBondContact O-N 2.87Å; S995-Y999 VanDerWaalsContact O-N 3.08Å
996V94.4Very high91.5Very high0 Ų018.9 Ų18.90%011%0.112CC..Hα-helixtrans-59.6-44.5177.3171.70000110.8I884 F900 P971 L992 G993 T998 Y999 V1000I884-V996 HydrophobicContact CD1-CG1 4Å; I884-V996 HydrophobicContact CG2-CG1 3.97Å; F900-V996 HydrophobicContact CE1-CB 4.38Å; F900-V996 HydrophobicContact CE1-CG1 4.16Å; F900-V996 HydrophobicContact CZ-CG1 4.18Å; P971-V996 HydrophobicContact CB-CG2 3.73Å; P971-V996 HydrophobicContact CG-CG2 3.98Å; L992-V996 HydrophobicContact CD1-CG2 4.01Å; L992-V996 HydrophobicContact CG-CG2 4.37Å; L992-V996 WeakPolarHBondContact O-CB 3.35Å; L992-V996 VanDerWaalsContact O-CG2 3.3Å; L992-V996 WeakPolarHBondContact O-CG2 3.18Å; L992-V996 PolarHBondContact O-N 3.25Å; G993-V996 PolarHBondContact O-N 3.08Å; V996-T998 VanDerWaalsContact C-N 3.33Å; V996-T998 PolarHBondContact O-N 3.21Å; V996-Y999 PolarHBondContact O-N 2.86Å; V996-V1000 HydrophobicContact CG1-CG2 4.38Å; V996-V1000 VanDerWaalsContact O-CG2 3.26Å; V996-V1000 WeakPolarHBondContact O-CG2 3.48Å; V996-V1000 PolarHBondContact O-N 2.94Å
997Y93.8Very high92.1Very high1 Ų114.1 Ų14.10%0.0048%0.082CC..Hα-helixtrans-60.4-42.9178.1-167.1-82.2000111.9L881 F900 S904 Y908 F912 G993 S995 Y999 V1000 V1001 W1030L881-Y997 HydrophobicContact CD1-CD2 3.96Å; L881-Y997 HydrophobicContact CD1-CE2 4.13Å; L881-Y997 HydrophobicContact CD2-CE2 4.3Å; F900-Y997 HydrophobicContact CB-CD2 4.42Å; F900-Y997 AromaticContact CD1-CD2 3.65Å; F900-Y997 HydrophobicContact CD1-CD2 3.65Å; F900-Y997 HydrophobicContact CD1-CG 4.22Å; F900-Y997 HydrophobicContact CD2-CD2 4.4Å; F900-Y997 AromaticContact CE1-CD2 3.92Å; F900-Y997 HydrophobicContact CE1-CD2 3.92Å; F900-Y997 HydrophobicContact CE1-CG 4.33Å; F900-Y997 AromaticContact CG-CD2 3.9Å; F900-Y997 HydrophobicContact CG-CD2 3.9Å; F900-Y997 HydrophobicContact CZ-CD2 4.4Å; S904-Y997 PolarHBondContact O-OH 3.27Å; Y908-Y997 VanDerWaalsContact CA-OH 3.24Å; Y908-Y997 WeakPolarHBondContact CA-OH 3.38Å; Y908-Y997 WeakPolarHBondContact CB-OH 3.38Å; Y908-Y997 HydrophobicContact CD2-CE1 4.46Å; Y908-Y997 HydrophobicContact CD2-CE2 4.24Å; Y908-Y997 AromaticContact CD2-CZ 3.85Å; Y908-Y997 PolarHBondContact N-OH 2.72Å; F912-Y997 HydrophobicContact CD2-CE1 4.07Å; F912-Y997 VanDerWaalsContact CD2-OH 3.25Å; F912-Y997 WeakPolarHBondContact CD2-OH 3.38Å; F912-Y997 HydrophobicContact CE2-CE1 4.42Å; G993-Y997 VanDerWaalsContact O-CB 3.25Å; G993-Y997 WeakPolarHBondContact O-CB 3.5Å; G993-Y997 PolarHBondContact O-N 3.27Å; S995-Y997 VanDerWaalsContact C-N 3.33Å; S995-Y997 PolarHBondContact O-N 3.46Å; Y997-Y999 VanDerWaalsContact C-N 3.34Å; Y997-Y999 PolarHBondContact O-N 3.42Å; Y997-V1000 PolarHBondContact O-N 3.25Å; Y997-V1001 HydrophobicContact CD1-CG2 3.74Å; Y997-V1001 HydrophobicContact CE1-CG2 3.48Å; Y997-V1001 VanDerWaalsContact CE1-CG2 3.48Å; Y997-V1001 WeakPolarHBondContact O-CG2 3.32Å; Y997-V1001 PolarHBondContact O-N 3Å; Y997-W1030 AromaticContact CD1-CD2 3.98Å; Y997-W1030 HydrophobicContact CD1-CD2 3.98Å; Y997-W1030 AromaticContact CD1-CE2 3.67Å; Y997-W1030 AromaticContact CD1-CE3 3.93Å; Y997-W1030 HydrophobicContact CD1-CE3 3.93Å; Y997-W1030 AromaticContact CD1-CH2 3.28Å; Y997-W1030 HydrophobicContact CD1-CH2 3.28Å; Y997-W1030 AromaticContact CD1-CZ2 3.33Å; Y997-W1030 HydrophobicContact CD1-CZ2 3.33Å; Y997-W1030 AromaticContact CD1-CZ3 3.6Å; Y997-W1030 HydrophobicContact CD1-CZ3 3.6Å; Y997-W1030 AromaticContact CE1-CD2 3.93Å; Y997-W1030 HydrophobicContact CE1-CD2 3.93Å; Y997-W1030 AromaticContact CE1-CE3 3.51Å; Y997-W1030 HydrophobicContact CE1-CE3 3.51Å; Y997-W1030 AromaticContact CE1-CH2 3.52Å; Y997-W1030 HydrophobicContact CE1-CH2 3.52Å; Y997-W1030 AromaticContact CE1-CZ2 3.94Å; Y997-W1030 HydrophobicContact CE1-CZ2 3.94Å; Y997-W1030 AromaticContact CE1-CZ3 3.28Å; Y997-W1030 HydrophobicContact CE1-CZ3 3.28Å; Y997-W1030 HydrophobicContact CG-CH2 4.07Å; Y997-W1030 HydrophobicContact CG-CZ2 4.15Å
998T94.5Very high92.8Very high0 Ų012.4 Ų12.40%07%0.07CC..Hα-helixtrans-58.7-46.4175.4-570000111.1N994 S995 V996 V1000 V1001 V1002 W1030 F1031 F1063 F1067N994-T998 WeakPolarHBondContact O-CB 3.49Å; N994-T998 PolarHBondContact O-N 2.98Å; N994-T998 PolarHBondContact O-OG1 3.49Å; S995-T998 WeakPolarHBondContact O-CB 3.33Å; S995-T998 PolarHBondContact O-N 3.42Å; V996-T998 VanDerWaalsContact C-N 3.33Å; V996-T998 PolarHBondContact O-N 3.21Å; T998-V1000 VanDerWaalsContact C-N 3.31Å; T998-V1000 PolarHBondContact O-N 3.48Å; T998-V1001 PolarHBondContact O-N 3.26Å; T998-V1002 HydrophobicContact CG2-CG2 4.45Å; T998-V1002 VanDerWaalsContact O-CG2 3.24Å; T998-V1002 WeakPolarHBondContact O-CG2 3.33Å; T998-V1002 PolarHBondContact O-N 3.11Å; T998-W1030 PolarHBondContact OG1-NE1 3Å; T998-F1031 HydrophobicContact CG2-CE2 4.45Å; T998-F1031 HydrophobicContact CG2-CZ 3.94Å; T998-F1063 HydrophobicContact CG2-CE2 4Å; T998-F1063 HydrophobicContact CG2-CZ 3.97Å; T998-F1067 HydrophobicContact CG2-CD2 4.22Å
999Y95.3Very high93.2Very high1 Ų19.9 Ų9.90%0.0045%0.053CC..Hα-helixtrans-64.2-36.9179-52.2-28.6000112.1P971 S995 V996 Y997 T1003 F1063 F1067 I1070P971-Y999 HydrophobicContact CB-CD2 4.38Å; P971-Y999 HydrophobicContact CB-CE2 4.04Å; P971-Y999 HydrophobicContact CG-CD2 3.57Å; P971-Y999 HydrophobicContact CG-CE2 3.64Å; S995-Y999 WeakPolarHBondContact O-CD1 3.27Å; S995-Y999 VanDerWaalsContact O-CD2 3.26Å; S995-Y999 WeakPolarHBondContact O-CD2 3.5Å; S995-Y999 PolarHBondContact O-N 2.87Å; S995-Y999 VanDerWaalsContact O-N 3.08Å; V996-Y999 PolarHBondContact O-N 2.86Å; Y997-Y999 VanDerWaalsContact C-N 3.34Å; Y997-Y999 PolarHBondContact O-N 3.42Å; Y999-T1003 VanDerWaalsContact O-CB 3.23Å; Y999-T1003 WeakPolarHBondContact O-CB 3.21Å; Y999-T1003 PolarHBondContact O-N 3.45Å; Y999-T1003 PolarHBondContact O-OG1 3.36Å; Y999-F1063 HydrophobicContact CE1-CD2 4.17Å; Y999-F1063 HydrophobicContact CE1-CE2 4.22Å; Y999-F1063 WeakPolarHBondContact OH-CA 3.36Å; Y999-F1063 PolarHBondContact OH-O 3.1Å; Y999-F1067 HydrophobicContact CD1-CB 4.42Å; Y999-F1067 HydrophobicContact CE1-CB 3.87Å; Y999-I1070 HydrophobicContact CD2-CD1 3.86Å; Y999-I1070 HydrophobicContact CE2-CD1 3.69Å
1000V95.1Very high93.5Very high0 Ų09.5 Ų9.50%05%0.051CC..Hα-helixtrans-63.7-51.4175.1174.60000110.8L881 I884 Y908 L967 V996 Y997 T998 V1002 T1003 V1004L881-V1000 HydrophobicContact CB-CG1 4.31Å; L881-V1000 HydrophobicContact CD1-CB 4.42Å; L881-V1000 HydrophobicContact CD1-CG1 3.94Å; L881-V1000 HydrophobicContact CD1-CG2 4.48Å; I884-V1000 HydrophobicContact CD1-CG2 3.26Å; Y908-V1000 HydrophobicContact CE2-CG1 4.26Å; L967-V1000 HydrophobicContact CB-CG2 4.24Å; L967-V1000 HydrophobicContact CD1-CG2 3.97Å; V996-V1000 HydrophobicContact CG1-CG2 4.38Å; V996-V1000 VanDerWaalsContact O-CG2 3.26Å; V996-V1000 WeakPolarHBondContact O-CG2 3.48Å; V996-V1000 PolarHBondContact O-N 2.94Å; Y997-V1000 PolarHBondContact O-N 3.25Å; T998-V1000 VanDerWaalsContact C-N 3.31Å; T998-V1000 PolarHBondContact O-N 3.48Å; V1000-V1002 VanDerWaalsContact C-N 3.31Å; V1000-V1002 PolarHBondContact O-N 3.18Å; V1000-T1003 PolarHBondContact O-N 3.38Å; V1000-V1004 HydrophobicContact CG1-CG2 4.12Å; V1000-V1004 VanDerWaalsContact O-CB 3.25Å; V1000-V1004 WeakPolarHBondContact O-CB 3.41Å; V1000-V1004 VanDerWaalsContact O-CG2 3.28Å; V1000-V1004 WeakPolarHBondContact O-CG2 3.36Å; V1000-V1004 PolarHBondContact O-N 2.85Å
1001V94.8Very high93.6Very high0 Ų08.8 Ų8.80%05%0.046CC..Hα-helixtrans-56.8-46.8-179.9171.30000110.6Y908 Y997 T998 C1005 W1030Y908-V1001 HydrophobicContact CD2-CG2 4.26Å; Y908-V1001 HydrophobicContact CE2-CG2 4.17Å; Y997-V1001 HydrophobicContact CD1-CG2 3.74Å; Y997-V1001 HydrophobicContact CE1-CG2 3.48Å; Y997-V1001 VanDerWaalsContact CE1-CG2 3.48Å; Y997-V1001 WeakPolarHBondContact O-CG2 3.32Å; Y997-V1001 PolarHBondContact O-N 3Å; T998-V1001 PolarHBondContact O-N 3.26Å; V1001-C1005 VanDerWaalsContact O-CB 3.3Å; V1001-C1005 WeakPolarHBondContact O-CB 3.18Å; V1001-C1005 PolarHBondContact O-N 3.18Å; V1001-C1005 PolarHBondContact O-SG 3.17Å; V1001-W1030 HydrophobicContact CG1-CB 4.12Å; V1001-W1030 HydrophobicContact CG1-CG 4.39Å
1002V95.3Very high93.6Very high9 Ų99 Ų96%0.0555%0.047CC..Hα-helixtrans-64.4-49.6179.2175.10000111.1T998 V1000 V1004 C1005 L1006 I1027 F1067 P1071T998-V1002 HydrophobicContact CG2-CG2 4.45Å; T998-V1002 VanDerWaalsContact O-CG2 3.24Å; T998-V1002 WeakPolarHBondContact O-CG2 3.33Å; T998-V1002 PolarHBondContact O-N 3.11Å; V1000-V1002 VanDerWaalsContact C-N 3.31Å; V1000-V1002 PolarHBondContact O-N 3.18Å; V1002-V1004 VanDerWaalsContact C-N 3.34Å; V1002-V1004 PolarHBondContact O-N 2.92Å; V1002-C1005 PolarHBondContact O-N 3.42Å; V1002-L1006 HydrophobicContact CG1-CD1 3.76Å; V1002-L1006 HydrophobicContact CG1-CG 4.26Å; V1002-L1006 WeakPolarHBondContact O-CB 3.43Å; V1002-L1006 VanDerWaalsContact O-CG 3.28Å; V1002-L1006 WeakPolarHBondContact O-CG 3.3Å; V1002-L1006 PolarHBondContact O-N 2.93Å; V1002-I1027 HydrophobicContact CG2-CG2 4.24Å; V1002-F1067 HydrophobicContact CG2-CD2 4.31Å; V1002-F1067 HydrophobicContact CG2-CE2 3.71Å; V1002-P1071 HydrophobicContact CB-CG 4.35Å; V1002-P1071 HydrophobicContact CG1-CB 4.12Å; V1002-P1071 HydrophobicContact CG1-CG 3.94Å
1003T95.8Very high93.4Very high0 Ų09.8 Ų9.80%05%0.053CC..Hα-helixtrans-62.8-41.5-178.2-56.40000111.7L967 Y999 V1000 K1007 P1071 A1074 L1075L967-T1003 HydrophobicContact CD1-CG2 4.24Å; L967-T1003 WeakPolarHBondContact CD2-OG1 3.47Å; Y999-T1003 VanDerWaalsContact O-CB 3.23Å; Y999-T1003 WeakPolarHBondContact O-CB 3.21Å; Y999-T1003 PolarHBondContact O-N 3.45Å; Y999-T1003 PolarHBondContact O-OG1 3.36Å; V1000-T1003 PolarHBondContact O-N 3.38Å; T1003-K1007 WeakPolarHBondContact O-CB 3.32Å; T1003-K1007 PolarHBondContact O-N 3.18Å; T1003-P1071 WeakPolarHBondContact OG1-CA 3.41Å; T1003-P1071 WeakPolarHBondContact OG1-CB 3.25Å; T1003-A1074 HydrophobicContact CG2-CB 3.83Å; T1003-L1075 HydrophobicContact CG2-CD2 4.12Å; T1003-L1075 HydrophobicContact CG2-CG 4.28Å
1004V95.3Very high93.1Very high0 Ų011 Ų110%06%0.063CC..Hα-helixtrans-67.2-44.4177.6165.90000111.1Y873 Y876 K877 T913 V1000 V1002 K1007 A1008Y873-V1004 HydrophobicContact CE2-CG1 4.32Å; Y873-V1004 WeakPolarHBondContact OH-CG1 3.35Å; Y873-V1004 PolarHBondContact OH-O 2.93Å; Y876-V1004 HydrophobicContact CE1-CG2 4.29Å; K877-V1004 HydrophobicContact CB-CG1 3.61Å; T913-V1004 HydrophobicContact CG2-CG1 4.28Å; V1000-V1004 HydrophobicContact CG1-CG2 4.12Å; V1000-V1004 VanDerWaalsContact O-CB 3.25Å; V1000-V1004 WeakPolarHBondContact O-CB 3.41Å; V1000-V1004 VanDerWaalsContact O-CG2 3.28Å; V1000-V1004 WeakPolarHBondContact O-CG2 3.36Å; V1000-V1004 PolarHBondContact O-N 2.85Å; V1002-V1004 VanDerWaalsContact C-N 3.34Å; V1002-V1004 PolarHBondContact O-N 2.92Å; V1004-K1007 WeakPolarHBondContact O-CB 3.49Å; V1004-K1007 PolarHBondContact O-N 2.98Å; V1004-A1008 PolarHBondContact O-N 3.28Å
1005C95.1Very high92.9Very high0 Ų016.4 Ų16.40%08%0.083CC..Hα-helixtrans-65.5-42.5177.4-690000112.4V1001 V1002 K1007 A1008 G1009 I1023 I1027V1001-C1005 VanDerWaalsContact O-CB 3.3Å; V1001-C1005 WeakPolarHBondContact O-CB 3.18Å; V1001-C1005 PolarHBondContact O-N 3.18Å; V1001-C1005 PolarHBondContact O-SG 3.17Å; V1002-C1005 PolarHBondContact O-N 3.42Å; C1005-K1007 VanDerWaalsContact C-N 3.33Å; C1005-A1008 WeakPolarHBondContact O-CB 3.46Å; C1005-A1008 PolarHBondContact O-N 2.99Å; C1005-G1009 PolarHBondContact O-N 2.99Å; C1005-I1023 HydrophobicContact CB-CG2 4.23Å; C1005-I1027 HydrophobicContact CB-CD1 3.9Å; C1005-I1027 HydrophobicContact CB-CG1 3.79Å
1006L94.7Very high92.7Very high48 Ų4818.1 Ų18.125%0.2519%0.093SC..Hα-helixtrans-66.3-36.8174.3-69.7178000111.6V1002 G1009 L1010 W1024 P1071 L1075V1002-L1006 HydrophobicContact CG1-CD1 3.76Å; V1002-L1006 HydrophobicContact CG1-CG 4.26Å; V1002-L1006 WeakPolarHBondContact O-CB 3.43Å; V1002-L1006 VanDerWaalsContact O-CG 3.28Å; V1002-L1006 WeakPolarHBondContact O-CG 3.3Å; V1002-L1006 PolarHBondContact O-N 2.93Å; L1006-G1009 CarbonylContact O-C 3.57Å; L1006-G1009 WeakPolarHBondContact O-CA 3.39Å; L1006-G1009 PolarHBondContact O-N 3.34Å; L1006-G1009 VanDerWaalsContact O-N 3.11Å; L1006-L1010 PolarHBondContact O-N 2.99Å; L1006-W1024 HydrophobicContact CD2-CH2 3.96Å; L1006-W1024 HydrophobicContact CD2-CZ3 4.29Å; L1006-P1071 HydrophobicContact CD1-CB 4.42Å; L1006-L1075 HydrophobicContact CB-CD1 3.47Å; L1006-L1075 VanDerWaalsContact CB-CD1 3.47Å; L1006-L1075 HydrophobicContact CD1-CD1 3.85Å; L1006-L1075 HydrophobicContact CG-CD1 4.33Å
1007K94.8Very high92.6Very high8 Ų827 Ų274%0.03513%0.127CC..Hα-helixtrans-61.1-41.4171.4176.958.1172.8177.80111.7Y876 T1003 V1004 C1005 G1009 L1010 E1011 L1075 D1078Y876-K1007 HydrophobicContact CD1-CG 4.45Å; Y876-K1007 HydrophobicContact CE1-CB 4.23Å; Y876-K1007 HydrophobicContact CE1-CG 3.66Å; T1003-K1007 WeakPolarHBondContact O-CB 3.32Å; T1003-K1007 PolarHBondContact O-N 3.18Å; V1004-K1007 WeakPolarHBondContact O-CB 3.49Å; V1004-K1007 PolarHBondContact O-N 2.98Å; C1005-K1007 VanDerWaalsContact C-N 3.33Å; K1007-G1009 VanDerWaalsContact C-N 3.31Å; K1007-G1009 PolarHBondContact O-N 3.19Å; K1007-L1010 PolarHBondContact O-N 3.47Å; K1007-E1011 HydrophobicContact CD-CG 4.36Å; K1007-E1011 WeakPolarHBondContact CE-OE1 3.39Å; K1007-E1011 IonicContact NZ-OE1 3.84Å; K1007-E1011 PolarHBondContact NZ-OE1 3.49Å; K1007-E1011 WeakPolarHBondContact O-CG 3.18Å; K1007-E1011 PolarHBondContact O-N 3.36Å; K1007-L1075 HydrophobicContact CB-CD2 3.95Å; K1007-D1078 VanDerWaalsContact CD-OD2 3.26Å; K1007-D1078 WeakPolarHBondContact CD-OD2 3.36Å; K1007-D1078 WeakPolarHBondContact CE-OD2 3.32Å; K1007-D1078 VanDerWaalsContact NZ-CG 3.29Å; K1007-D1078 IonicContact NZ-OD1 3.66Å; K1007-D1078 IonicContact NZ-OD2 3.41Å; K1007-D1078 PolarHBondContact NZ-OD2 3.43Å
1008A93.3Very high92.5Very high0 Ų029.2 Ų29.20%014%0.138CC..Hα-helixtrans-57.3-46.2170.300000111.3Y873 P916 V1004 C1005 L1010 E1011 H1012Y873-A1008 HydrophobicContact CD2-CB 4.43Å; Y873-A1008 HydrophobicContact CE1-CB 4.24Å; Y873-A1008 HydrophobicContact CE2-CB 3.65Å; Y873-A1008 WeakPolarHBondContact OH-CB 3.46Å; P916-A1008 HydrophobicContact CB-CB 3.72Å; V1004-A1008 PolarHBondContact O-N 3.28Å; C1005-A1008 WeakPolarHBondContact O-CB 3.46Å; C1005-A1008 PolarHBondContact O-N 2.99Å; A1008-L1010 VanDerWaalsContact C-N 3.32Å; A1008-L1010 PolarHBondContact O-N 3.23Å; A1008-E1011 PolarHBondContact O-N 3.06Å; A1008-H1012 PolarHBondContact O-CD2 3.1Å; A1008-H1012 PolarHBondContact O-N 3.34Å; A1008-H1012 VanDerWaalsContact O-N 3.09Å
1009G92.7Very high92.3Very high3 Ų329.2 Ų29.23%0.03114%0.138CC..Hα-helixtrans-55.8-42.5175.300000113.5C1005 L1006 K1007 E1011 H1012 W1015 I1023C1005-G1009 PolarHBondContact O-N 2.99Å; L1006-G1009 CarbonylContact O-C 3.57Å; L1006-G1009 WeakPolarHBondContact O-CA 3.39Å; L1006-G1009 PolarHBondContact O-N 3.34Å; L1006-G1009 VanDerWaalsContact O-N 3.11Å; K1007-G1009 VanDerWaalsContact C-N 3.31Å; K1007-G1009 PolarHBondContact O-N 3.19Å; G1009-E1011 PolarHBondContact O-N 2.96Å; G1009-H1012 PolarHBondContact O-N 3.01Å; G1009-W1015 VanDerWaalsContact C-CZ2 3.42Å; G1009-W1015 VanDerWaalsContact CA-CZ2 3.44Å; G1009-W1015 WeakPolarHBondContact O-CZ2 3.42Å; G1009-I1023 VanDerWaalsContact CA-CD1 3.47Å
1010L92.4Very high92.1Very high57 Ų5733 Ų3330%0.29816%0.156SC..Hα-helixtrans-61.9-28.5175.6-70.1178000112.8L1006 K1007 A1008 L1075 D1078 I1079 K1082L1006-L1010 PolarHBondContact O-N 2.99Å; K1007-L1010 PolarHBondContact O-N 3.47Å; A1008-L1010 VanDerWaalsContact C-N 3.32Å; A1008-L1010 PolarHBondContact O-N 3.23Å; L1010-L1075 HydrophobicContact CD1-CB 4.3Å; L1010-L1075 HydrophobicContact CD1-CD2 3.93Å; L1010-D1078 HydrophobicContact CD1-CB 4.47Å; L1010-I1079 HydrophobicContact CD1-CG1 3.91Å; L1010-I1079 HydrophobicContact CD2-CD1 4.43Å; L1010-I1079 HydrophobicContact CD2-CG1 3.97Å; L1010-K1082 PolarHBondContact O-NZ 2.96Å
1011E91.1Very high92.1Very high31 Ų3138.1 Ų38.115%0.14518%0.183CC..Hα-helixtrans-91.4-18.2-175.8-60.1-64.1172.500114.7K869 L920 W956 K1007 A1008 G1009 T1013 K1082K869-E1011 PolarHBondContact NZ-O 3.39Å; L920-E1011 HydrophobicContact CD1-CB 4.23Å; W956-E1011 HydrophobicContact CH2-CG 3.77Å; K1007-E1011 HydrophobicContact CD-CG 4.36Å; K1007-E1011 WeakPolarHBondContact CE-OE1 3.39Å; K1007-E1011 IonicContact NZ-OE1 3.84Å; K1007-E1011 PolarHBondContact NZ-OE1 3.49Å; K1007-E1011 WeakPolarHBondContact O-CG 3.18Å; K1007-E1011 PolarHBondContact O-N 3.36Å; A1008-E1011 PolarHBondContact O-N 3.06Å; G1009-E1011 PolarHBondContact O-N 2.96Å; E1011-T1013 PolarHBondContact O-N 3.47Å; E1011-K1082 IonicContact OE2-NZ 3.05Å; E1011-K1082 PolarHBondContact OE2-NZ 2.76Å
1012H90.4Very high92Very high7 Ų738.6 Ų38.63%0.03219%0.187CC..  trans-57.7127.5165.9-89.6-87.4000110.5A1008 G1009A1008-H1012 PolarHBondContact O-CD2 3.1Å; A1008-H1012 PolarHBondContact O-N 3.34Å; A1008-H1012 VanDerWaalsContact O-N 3.09Å; G1009-H1012 PolarHBondContact O-N 3.01Å
1013T86.4Confident91.9Very high34 Ų3438.2 Ų38.221%0.20918%0.184CC..SBendtrans-87.2-38.3172.634.80000111.5K869 D924 R925 E1011 M1097K869-T1013 PolarHBondContact NZ-OG1 3.13Å; D924-T1013 WeakPolarHBondContact OD1-CA 3.41Å; D924-T1013 PolarHBondContact OD1-N 3.35Å; D924-T1013 PolarHBondContact OD1-OG1 3.37Å; D924-T1013 PolarHBondContact OD2-OG1 3.38Å; R925-T1013 PolarHBondContact O-OG1 2.95Å; R925-T1013 VanDerWaalsContact O-OG1 3.1Å; E1011-T1013 PolarHBondContact O-N 3.47Å; T1013-M1097 HydrophobicContact CG2-CE 3.75Å
1014A85Confident91.9Very high27 Ų2744.7 Ų44.722%0.22321%0.209CC..SBendtrans-114.4122.317200000110.5D924 R925D924-A1014 PolarHBondContact OD1-N 3.04Å; D924-A1014 VanDerWaalsContact OD1-N 3.14Å; R925-A1014 HydrophobicContact CB-CB 4.07Å
1015W88.6Confident91.9Very high118 Ų11846.3 Ų46.345%0.44723%0.226SC..  trans-86.4109.3172.3-75.479.1000109.3G1009 H1020 I1023G1009-W1015 VanDerWaalsContact C-CZ2 3.42Å; G1009-W1015 VanDerWaalsContact CA-CZ2 3.44Å; G1009-W1015 WeakPolarHBondContact O-CZ2 3.42Å; W1015-H1020 AromaticContact CE3-CD2 3.99Å; W1015-H1020 AromaticContact CE3-CE1 3.46Å; W1015-H1020 VanDerWaalsContact CE3-CE1 3.46Å; W1015-H1020 AromaticContact CE3-ND1 3.84Å; W1015-H1020 AromaticContact CE3-NE2 3.55Å; W1015-H1020 AromaticContact CZ3-CE1 3.89Å; W1015-H1020 AromaticContact CZ3-ND1 3.97Å; W1015-I1023 HydrophobicContact CE3-CD1 4.39Å; W1015-I1023 HydrophobicContact CH2-CD1 3.71Å; W1015-I1023 HydrophobicContact CZ3-CD1 3.59Å
1016T89.1Confident91.9Very high36 Ų3646.5 Ų46.522%0.22123%0.227CC..  trans-103.3159.2172.561.10000110.1F923 L1018 S1019 H1020F923-T1016 HydrophobicContact CB-CG2 4.5Å; T1016-L1018 PolarHBondContact O-N 3.33Å; T1016-L1018 VanDerWaalsContact O-N 3.14Å; T1016-S1019 PolarHBondContact N-OG 2.73Å; T1016-S1019 WeakPolarHBondContact O-CA 3.01Å; T1016-S1019 PolarHBondContact O-N 3.45Å; T1016-S1019 PolarHBondContact O-OG 3.45Å; T1016-S1019 PolarHBondContact OG1-N 3.13Å; T1016-H1020 PolarHBondContact O-CD2 3.33Å; T1016-H1020 VanDerWaalsContact O-CD2 3.26Å; T1016-H1020 PolarHBondContact O-N 2.85Å
1017W92.3Very high91.9Very high186 Ų18645 Ų4571%0.70522%0.22SC*.Hα-helixtrans-56.5-31.5175.374.4-94.1000112.3H1020 L1021W1017-H1020 WeakPolarHBondContact O-CB 2.93Å; W1017-H1020 PolarHBondContact O-N 3.06Å; W1017-L1021 HydrophobicContact CZ3-CD2 4.02Å; W1017-L1021 WeakPolarHBondContact O-CB 3.41Å; W1017-L1021 PolarHBondContact O-N 3Å
1018L90.2Very high91.9Very high48 Ų4846.5 Ų46.525%0.25124%0.237SC..Hα-helixtrans-68-38.6173.5-72167000112.6F923 T1016 L1021 A1022F923-L1018 HydrophobicContact CD1-CD1 3.94Å; F923-L1018 HydrophobicContact CD2-CB 3.81Å; F923-L1018 HydrophobicContact CD2-CD1 4Å; F923-L1018 HydrophobicContact CE1-CD1 3.64Å; F923-L1018 HydrophobicContact CE2-CB 4Å; F923-L1018 HydrophobicContact CE2-CD1 3.72Å; F923-L1018 HydrophobicContact CE2-CG 4.33Å; F923-L1018 HydrophobicContact CG-CB 4.35Å; F923-L1018 HydrophobicContact CG-CD1 4.13Å; F923-L1018 HydrophobicContact CZ-CD1 3.54Å; T1016-L1018 PolarHBondContact O-N 3.33Å; T1016-L1018 VanDerWaalsContact O-N 3.14Å; L1018-L1021 PolarHBondContact O-N 2.87Å; L1018-A1022 WeakPolarHBondContact O-CB 3.29Å; L1018-A1022 PolarHBondContact O-N 3.02Å
1019S89.8Confident91.9Very high0 Ų048.7 Ų48.70%025%0.251CS..Hα-helixtrans-66.2-38172.666.50000112T1016 A1022 I1023T1016-S1019 PolarHBondContact N-OG 2.73Å; T1016-S1019 WeakPolarHBondContact O-CA 3.01Å; T1016-S1019 PolarHBondContact O-N 3.45Å; T1016-S1019 PolarHBondContact O-OG 3.45Å; T1016-S1019 PolarHBondContact OG1-N 3.13Å; S1019-A1022 PolarHBondContact O-N 3.23Å; S1019-I1023 WeakPolarHBondContact O-CB 3.36Å; S1019-I1023 WeakPolarHBondContact O-CD1 3.38Å; S1019-I1023 VanDerWaalsContact O-CG1 3.28Å; S1019-I1023 WeakPolarHBondContact O-CG1 3.28Å; S1019-I1023 PolarHBondContact O-N 3.43Å
1020H92.4Very high92Very high82 Ų8248.5 Ų48.538%0.3825%0.25SC..Hα-helixtrans-61.2-48.7172.2-77.8-82.2000111W1015 T1016 W1017 A1022 I1023 W1024W1015-H1020 AromaticContact CE3-CD2 3.99Å; W1015-H1020 AromaticContact CE3-CE1 3.46Å; W1015-H1020 VanDerWaalsContact CE3-CE1 3.46Å; W1015-H1020 AromaticContact CE3-ND1 3.84Å; W1015-H1020 AromaticContact CE3-NE2 3.55Å; W1015-H1020 AromaticContact CZ3-CE1 3.89Å; W1015-H1020 AromaticContact CZ3-ND1 3.97Å; T1016-H1020 PolarHBondContact O-CD2 3.33Å; T1016-H1020 VanDerWaalsContact O-CD2 3.26Å; T1016-H1020 PolarHBondContact O-N 2.85Å; W1017-H1020 WeakPolarHBondContact O-CB 2.93Å; W1017-H1020 PolarHBondContact O-N 3.06Å; H1020-A1022 VanDerWaalsContact C-N 3.32Å; H1020-A1022 PolarHBondContact O-N 2.95Å; H1020-I1023 PolarHBondContact O-N 3.47Å; H1020-W1024 AromaticContact ND1-CD1 3.77Å; H1020-W1024 AromaticContact ND1-NE1 3.41Å; H1020-W1024 PolarHBondContact ND1-NE1 2.98Å; H1020-W1024 WeakPolarHBondContact O-CB 3.44Å; H1020-W1024 PolarHBondContact O-N 3.09Å
1021L94Very high92Very high106 Ų10647.8 Ų47.856%0.55524%0.244SC*.Hα-helixtrans-59.7-42.4177.4-178.963.9000111.6W1017 L1018 G1025W1017-L1021 HydrophobicContact CZ3-CD2 4.02Å; W1017-L1021 WeakPolarHBondContact O-CB 3.41Å; W1017-L1021 PolarHBondContact O-N 3Å; L1018-L1021 PolarHBondContact O-N 2.87Å; L1021-G1025 WeakPolarHBondContact O-CA 3.49Å; L1021-G1025 PolarHBondContact O-N 3.32Å
1022A93.4Very high92.1Very high11 Ų1151.2 Ų51.29%0.09126%0.263CS..Hα-helixtrans-65.7-43.3179.100000112.6A915 A919 L1018 S1019 H1020 S1026A915-A1022 HydrophobicContact CB-CB 4.01Å; A919-A1022 HydrophobicContact CB-CB 3.54Å; L1018-A1022 WeakPolarHBondContact O-CB 3.29Å; L1018-A1022 PolarHBondContact O-N 3.02Å; S1019-A1022 PolarHBondContact O-N 3.23Å; H1020-A1022 VanDerWaalsContact C-N 3.32Å; H1020-A1022 PolarHBondContact O-N 2.95Å; A1022-S1026 WeakPolarHBondContact O-CB 3.47Å; A1022-S1026 PolarHBondContact O-N 3.24Å; A1022-S1026 PolarHBondContact O-OG 3.31Å; A1022-S1026 VanDerWaalsContact O-OG 3.11Å
1023I93.9Very high92.2Very high0 Ų052.6 Ų52.60%027%0.269CS..Hα-helixtrans-75.2-56.4-177.4-65.7163.2000110.7C1005 G1009 W1015 S1019 H1020 S1026 I1027C1005-I1023 HydrophobicContact CB-CG2 4.23Å; G1009-I1023 VanDerWaalsContact CA-CD1 3.47Å; W1015-I1023 HydrophobicContact CE3-CD1 4.39Å; W1015-I1023 HydrophobicContact CH2-CD1 3.71Å; W1015-I1023 HydrophobicContact CZ3-CD1 3.59Å; S1019-I1023 WeakPolarHBondContact O-CB 3.36Å; S1019-I1023 WeakPolarHBondContact O-CD1 3.38Å; S1019-I1023 VanDerWaalsContact O-CG1 3.28Å; S1019-I1023 WeakPolarHBondContact O-CG1 3.28Å; S1019-I1023 PolarHBondContact O-N 3.43Å; H1020-I1023 PolarHBondContact O-N 3.47Å; I1023-S1026 PolarHBondContact O-N 3.24Å; I1023-I1027 WeakPolarHBondContact O-CG1 3.39Å; I1023-I1027 PolarHBondContact O-N 3.33Å
1024W95.5Very high92.4Very high136 Ų13651.2 Ų51.252%0.51526%0.26SS..Hα-helixtrans-73.2-34.7-176.5-58.8114.7000111.8L1006 H1020 I1027 G1028L1006-W1024 HydrophobicContact CD2-CH2 3.96Å; L1006-W1024 HydrophobicContact CD2-CZ3 4.29Å; H1020-W1024 AromaticContact ND1-CD1 3.77Å; H1020-W1024 AromaticContact ND1-NE1 3.41Å; H1020-W1024 PolarHBondContact ND1-NE1 2.98Å; H1020-W1024 WeakPolarHBondContact O-CB 3.44Å; H1020-W1024 PolarHBondContact O-N 3.09Å; W1024-I1027 HydrophobicContact CE3-CD1 3.99Å; W1024-I1027 HydrophobicContact CZ3-CD1 4.14Å; W1024-I1027 PolarHBondContact O-N 3.13Å; W1024-G1028 PolarHBondContact O-N 3.27Å
1025G94.6Very high92.7Very high34 Ų3452.7 Ų52.735%0.35127%0.267SS..Hα-helixtrans-65.5-37.7173.700000112.4L1021 G1028 C1029L1021-G1025 WeakPolarHBondContact O-CA 3.49Å; L1021-G1025 PolarHBondContact O-N 3.32Å; G1025-G1028 PolarHBondContact O-N 3.08Å; G1025-C1029 WeakPolarHBondContact O-CB 3.34Å; G1025-C1029 PolarHBondContact O-N 3.43Å
1026S94.8Very high92.8Very high5 Ų551.7 Ų51.74%0.03527%0.269CS..Hα-helixtrans-61.1-45.3171.8-92.20000112.7F912 P916 A1022 I1023 C1029 W1030F912-S1026 WeakPolarHBondContact O-CB 3.42Å; F912-S1026 PolarHBondContact O-OG 3.49Å; P916-S1026 WeakPolarHBondContact CD-OG 3.25Å; A1022-S1026 WeakPolarHBondContact O-CB 3.47Å; A1022-S1026 PolarHBondContact O-N 3.24Å; A1022-S1026 PolarHBondContact O-OG 3.31Å; A1022-S1026 VanDerWaalsContact O-OG 3.11Å; I1023-S1026 PolarHBondContact O-N 3.24Å; S1026-C1029 PolarHBondContact O-N 3.34Å; S1026-W1030 PolarHBondContact O-N 3.15Å
1027I94.6Very high92.8Very high17 Ų1750.7 Ų50.79%0.08726%0.262CS..Hα-helixtrans-64.1-49.9177.1-64.7168.9000110V1002 C1005 I1023 W1024 C1029 W1030 F1031V1002-I1027 HydrophobicContact CG2-CG2 4.24Å; C1005-I1027 HydrophobicContact CB-CD1 3.9Å; C1005-I1027 HydrophobicContact CB-CG1 3.79Å; I1023-I1027 WeakPolarHBondContact O-CG1 3.39Å; I1023-I1027 PolarHBondContact O-N 3.33Å; W1024-I1027 HydrophobicContact CE3-CD1 3.99Å; W1024-I1027 HydrophobicContact CZ3-CD1 4.14Å; W1024-I1027 PolarHBondContact O-N 3.13Å; I1027-C1029 VanDerWaalsContact C-N 3.3Å; I1027-C1029 PolarHBondContact O-N 3.41Å; I1027-W1030 WeakPolarHBondContact O-CB 3.48Å; I1027-W1030 PolarHBondContact O-N 3.33Å; I1027-W1030 VanDerWaalsContact O-N 3.17Å; I1027-F1031 HydrophobicContact CG2-CD2 4.05Å; I1027-F1031 HydrophobicContact CG2-CE2 3.89Å; I1027-F1031 WeakPolarHBondContact O-CD2 3.33Å; I1027-F1031 PolarHBondContact O-N 2.82Å
1028G94.9Very high92.5Very high38 Ų3842 Ų4239%0.39223%0.229SC..Hα-helixtrans-60.8-37178.200000113.1W1024 G1025 W1030 F1031 L1032W1024-G1028 PolarHBondContact O-N 3.27Å; G1025-G1028 PolarHBondContact O-N 3.08Å; G1028-W1030 VanDerWaalsContact C-N 3.33Å; G1028-W1030 PolarHBondContact O-N 3.34Å; G1028-F1031 PolarHBondContact O-N 2.84Å; G1028-L1032 WeakPolarHBondContact O-CB 3.28Å; G1028-L1032 PolarHBondContact O-N 3.45Å
1029C93.7Very high92.4Very high46 Ų4644.6 Ų44.631%0.31124%0.24SC..Hα-helixtrans-63.5-37.3176.5-175.60000112.1I911 G1025 S1026 I1027 L1032 F1033I911-C1029 WeakPolarHBondContact CG2-SG 3.4Å; G1025-C1029 WeakPolarHBondContact O-CB 3.34Å; G1025-C1029 PolarHBondContact O-N 3.43Å; S1026-C1029 PolarHBondContact O-N 3.34Å; I1027-C1029 VanDerWaalsContact C-N 3.3Å; I1027-C1029 PolarHBondContact O-N 3.41Å; C1029-L1032 PolarHBondContact O-N 3.13Å; C1029-F1033 VanDerWaalsContact O-CB 3.3Å; C1029-F1033 WeakPolarHBondContact O-CB 3.45Å; C1029-F1033 PolarHBondContact O-N 3.35Å
1030W94.1Very high92.2Very high0 Ų046.3 Ų46.30%025%0.25CC..Hα-helixtrans-64.9-45.8173.5170.5-110000112.2F912 Y997 T998 V1001 S1026 I1027 G1028 L1032 F1033 L1034F912-W1030 HydrophobicContact CD1-CB 4.2Å; F912-W1030 HydrophobicContact CD1-CE3 4.26Å; F912-W1030 AromaticContact CD2-CE3 3.81Å; F912-W1030 HydrophobicContact CD2-CE3 3.81Å; F912-W1030 HydrophobicContact CD2-CZ3 4.25Å; F912-W1030 HydrophobicContact CE1-CE3 4.04Å; F912-W1030 AromaticContact CE2-CE3 3.56Å; F912-W1030 HydrophobicContact CE2-CE3 3.56Å; F912-W1030 AromaticContact CE2-CZ3 3.7Å; F912-W1030 HydrophobicContact CE2-CZ3 3.7Å; F912-W1030 HydrophobicContact CG-CE3 4.17Å; F912-W1030 AromaticContact CZ-CE3 3.7Å; F912-W1030 HydrophobicContact CZ-CE3 3.7Å; F912-W1030 HydrophobicContact CZ-CZ3 4.03Å; Y997-W1030 AromaticContact CD1-CD2 3.98Å; Y997-W1030 HydrophobicContact CD1-CD2 3.98Å; Y997-W1030 AromaticContact CD1-CE2 3.67Å; Y997-W1030 AromaticContact CD1-CE3 3.93Å; Y997-W1030 HydrophobicContact CD1-CE3 3.93Å; Y997-W1030 AromaticContact CD1-CH2 3.28Å; Y997-W1030 HydrophobicContact CD1-CH2 3.28Å; Y997-W1030 AromaticContact CD1-CZ2 3.33Å; Y997-W1030 HydrophobicContact CD1-CZ2 3.33Å; Y997-W1030 AromaticContact CD1-CZ3 3.6Å; Y997-W1030 HydrophobicContact CD1-CZ3 3.6Å; Y997-W1030 AromaticContact CE1-CD2 3.93Å; Y997-W1030 HydrophobicContact CE1-CD2 3.93Å; Y997-W1030 AromaticContact CE1-CE3 3.51Å; Y997-W1030 HydrophobicContact CE1-CE3 3.51Å; Y997-W1030 AromaticContact CE1-CH2 3.52Å; Y997-W1030 HydrophobicContact CE1-CH2 3.52Å; Y997-W1030 AromaticContact CE1-CZ2 3.94Å; Y997-W1030 HydrophobicContact CE1-CZ2 3.94Å; Y997-W1030 AromaticContact CE1-CZ3 3.28Å; Y997-W1030 HydrophobicContact CE1-CZ3 3.28Å; Y997-W1030 HydrophobicContact CG-CH2 4.07Å; Y997-W1030 HydrophobicContact CG-CZ2 4.15Å; T998-W1030 PolarHBondContact OG1-NE1 3Å; V1001-W1030 HydrophobicContact CG1-CB 4.12Å; V1001-W1030 HydrophobicContact CG1-CG 4.39Å; S1026-W1030 PolarHBondContact O-N 3.15Å; I1027-W1030 WeakPolarHBondContact O-CB 3.48Å; I1027-W1030 PolarHBondContact O-N 3.33Å; I1027-W1030 VanDerWaalsContact O-N 3.17Å; G1028-W1030 VanDerWaalsContact C-N 3.33Å; G1028-W1030 PolarHBondContact O-N 3.34Å; W1030-L1032 VanDerWaalsContact C-N 3.33Å; W1030-L1032 PolarHBondContact O-N 3.22Å; W1030-F1033 HydrophobicContact CE3-CD1 4.03Å; W1030-F1033 AromaticContact CZ3-CD1 3.67Å; W1030-F1033 HydrophobicContact CZ3-CD1 3.67Å; W1030-F1033 HydrophobicContact CZ3-CE1 4.07Å; W1030-F1033 PolarHBondContact O-N 3.12Å; W1030-L1034 HydrophobicContact CH2-CD1 4.36Å; W1030-L1034 HydrophobicContact CZ2-CD1 4.11Å; W1030-L1034 PolarHBondContact O-N 3.1Å
1031F93.5Very high91.2Very high41 Ų4147.2 Ų47.218%0.1825%0.251CS..Hα-helixtrans-62.7-40.7176.3-80.1-82.9000112.1T998 I1027 G1028 F1033 L1034 T1035 Y1058 F1063 W1064 F1067T998-F1031 HydrophobicContact CG2-CE2 4.45Å; T998-F1031 HydrophobicContact CG2-CZ 3.94Å; I1027-F1031 HydrophobicContact CG2-CD2 4.05Å; I1027-F1031 HydrophobicContact CG2-CE2 3.89Å; I1027-F1031 WeakPolarHBondContact O-CD2 3.33Å; I1027-F1031 PolarHBondContact O-N 2.82Å; G1028-F1031 PolarHBondContact O-N 2.84Å; F1031-F1033 VanDerWaalsContact C-N 3.35Å; F1031-L1034 PolarHBondContact O-N 3Å; F1031-T1035 PolarHBondContact O-N 3.25Å; F1031-T1035 PolarHBondContact O-OG1 3.22Å; F1031-Y1058 AromaticContact CD1-CE1 3.83Å; F1031-Y1058 HydrophobicContact CD1-CE1 3.83Å; F1031-Y1058 AromaticContact CD1-CZ 3.98Å; F1031-Y1058 WeakPolarHBondContact CD1-OH 3.4Å; F1031-Y1058 AromaticContact CE1-CE1 3.99Å; F1031-Y1058 HydrophobicContact CE1-CE1 3.99Å; F1031-Y1058 PolarHBondContact O-OH 3.26Å; F1031-Y1058 VanDerWaalsContact O-OH 3.11Å; F1031-F1063 HydrophobicContact CE1-CZ 4.4Å; F1031-W1064 HydrophobicContact CE1-CH2 4.4Å; F1031-F1067 AromaticContact CE2-CE2 3.88Å; F1031-F1067 HydrophobicContact CE2-CE2 3.88Å; F1031-F1067 HydrophobicContact CE2-CZ 4.31Å; F1031-F1067 HydrophobicContact CZ-CD2 4.07Å; F1031-F1067 AromaticContact CZ-CE2 3.5Å; F1031-F1067 HydrophobicContact CZ-CE2 3.5Å; F1031-F1067 HydrophobicContact CZ-CZ 4.02Å
1032L93.5Very high90Very high104 Ų10447.3 Ų47.355%0.54526%0.258SS..Hα-helixtrans-62.5-43.1174.4-173.667.1000111.4G1028 C1029 W1030 T1035 I1036G1028-L1032 WeakPolarHBondContact O-CB 3.28Å; G1028-L1032 PolarHBondContact O-N 3.45Å; C1029-L1032 PolarHBondContact O-N 3.13Å; W1030-L1032 VanDerWaalsContact C-N 3.33Å; W1030-L1032 PolarHBondContact O-N 3.22Å; L1032-T1035 PolarHBondContact O-N 2.81Å; L1032-I1036 HydrophobicContact CD1-CD1 3.68Å; L1032-I1036 HydrophobicContact CD1-CG1 4.27Å; L1032-I1036 HydrophobicContact CD2-CD1 4.38Å; L1032-I1036 HydrophobicContact CG-CD1 3.73Å; L1032-I1036 HydrophobicContact CG-CG1 4.47Å; L1032-I1036 WeakPolarHBondContact O-CG1 3.39Å; L1032-I1036 PolarHBondContact O-N 3.08Å
1033F91.7Very high89.4Confident35 Ų3552.2 Ų52.215%0.15429%0.286CS..Hα-helixtrans-62.8-46.8176.7179.3-96.5000111.7L907 F912 C1029 W1030 F1031 T1035 I1036 Y1037L907-F1033 HydrophobicContact CD1-CD2 4.4Å; L907-F1033 HydrophobicContact CD1-CE2 3.51Å; L907-F1033 HydrophobicContact CD1-CZ 3.6Å; F912-F1033 HydrophobicContact CE1-CB 3.71Å; F912-F1033 HydrophobicContact CE1-CD1 4.32Å; F912-F1033 HydrophobicContact CE1-CD2 4.36Å; F912-F1033 AromaticContact CE1-CG 3.89Å; F912-F1033 HydrophobicContact CE1-CG 3.89Å; F912-F1033 HydrophobicContact CE2-CD1 4.3Å; F912-F1033 HydrophobicContact CZ-CB 3.82Å; F912-F1033 AromaticContact CZ-CD1 3.55Å; F912-F1033 HydrophobicContact CZ-CD1 3.55Å; F912-F1033 AromaticContact CZ-CD2 3.88Å; F912-F1033 HydrophobicContact CZ-CD2 3.88Å; F912-F1033 HydrophobicContact CZ-CE1 4.03Å; F912-F1033 HydrophobicContact CZ-CE2 4.33Å; F912-F1033 AromaticContact CZ-CG 3.46Å; F912-F1033 HydrophobicContact CZ-CG 3.46Å; F912-F1033 VanDerWaalsContact CZ-CG 3.46Å; F912-F1033 HydrophobicContact CZ-CZ 4.4Å; C1029-F1033 VanDerWaalsContact O-CB 3.3Å; C1029-F1033 WeakPolarHBondContact O-CB 3.45Å; C1029-F1033 PolarHBondContact O-N 3.35Å; W1030-F1033 HydrophobicContact CE3-CD1 4.03Å; W1030-F1033 AromaticContact CZ3-CD1 3.67Å; W1030-F1033 HydrophobicContact CZ3-CD1 3.67Å; W1030-F1033 HydrophobicContact CZ3-CE1 4.07Å; W1030-F1033 PolarHBondContact O-N 3.12Å; F1031-F1033 VanDerWaalsContact C-N 3.35Å; F1033-T1035 PolarHBondContact O-N 3.4Å; F1033-I1036 PolarHBondContact O-N 3.13Å; F1033-Y1037 HydrophobicContact CD2-CG 4.47Å; F1033-Y1037 AromaticContact CE1-CD1 3.62Å; F1033-Y1037 HydrophobicContact CE1-CD1 3.62Å; F1033-Y1037 HydrophobicContact CE1-CD2 4.45Å; F1033-Y1037 HydrophobicContact CE1-CE1 4.16Å; F1033-Y1037 AromaticContact CE1-CG 3.78Å; F1033-Y1037 HydrophobicContact CE1-CG 3.78Å; F1033-Y1037 HydrophobicContact CE2-CD1 4.31Å; F1033-Y1037 AromaticContact CE2-CD2 3.66Å; F1033-Y1037 HydrophobicContact CE2-CD2 3.66Å; F1033-Y1037 HydrophobicContact CE2-CE2 4.22Å; F1033-Y1037 AromaticContact CE2-CG 3.72Å; F1033-Y1037 HydrophobicContact CE2-CG 3.72Å; F1033-Y1037 AromaticContact CZ-CD1 3.45Å; F1033-Y1037 HydrophobicContact CZ-CD1 3.45Å; F1033-Y1037 VanDerWaalsContact CZ-CD1 3.45Å; F1033-Y1037 AromaticContact CZ-CD2 3.55Å; F1033-Y1037 HydrophobicContact CZ-CD2 3.55Å; F1033-Y1037 AromaticContact CZ-CE1 3.78Å; F1033-Y1037 HydrophobicContact CZ-CE1 3.78Å; F1033-Y1037 AromaticContact CZ-CE2 3.9Å; F1033-Y1037 HydrophobicContact CZ-CE2 3.9Å; F1033-Y1037 AromaticContact CZ-CG 3.32Å; F1033-Y1037 HydrophobicContact CZ-CG 3.32Å; F1033-Y1037 WeakPolarHBondContact O-CB 3.39Å; F1033-Y1037 PolarHBondContact O-N 3.07Å
1034L90.3Very high88.7Confident5 Ų557.2 Ų57.23%0.02631%0.312CS..Hα-helixtrans-62.7-28.9178-167.772.7000112N994 W1030 F1031 P1038 V1057 Y1058N994-L1034 HydrophobicContact CB-CD1 4.32Å; W1030-L1034 HydrophobicContact CH2-CD1 4.36Å; W1030-L1034 HydrophobicContact CZ2-CD1 4.11Å; W1030-L1034 PolarHBondContact O-N 3.1Å; F1031-L1034 PolarHBondContact O-N 3Å; L1034-P1038 WeakPolarHBondContact O-CD 3.17Å; L1034-P1038 WeakPolarHBondContact O-CG 3.47Å; L1034-V1057 HydrophobicContact CD2-CB 4.32Å; L1034-V1057 HydrophobicContact CD2-CG1 4.07Å; L1034-Y1058 HydrophobicContact CD2-CE1 3.79Å
1035T91.5Very high87.8Confident58 Ų5856.8 Ų56.836%0.35633%0.327SS..Hα-helixtrans-78-42175.4-52.90000112.1F1031 L1032 F1033 H1039 Y1058F1031-T1035 PolarHBondContact O-N 3.25Å; F1031-T1035 PolarHBondContact O-OG1 3.22Å; L1032-T1035 PolarHBondContact O-N 2.81Å; F1033-T1035 PolarHBondContact O-N 3.4Å; T1035-H1039 PolarHBondContact O-CD2 2.98Å; T1035-Y1058 PolarHBondContact OG1-OH 3.49Å
1036I90.5Very high86.8Confident97 Ų9758.4 Ų58.450%0.49733%0.327SS..Hα-helixtrans-85-42.3-173.8-64.9175.7000112.3L1032 F1033 H1039L1032-I1036 HydrophobicContact CD1-CD1 3.68Å; L1032-I1036 HydrophobicContact CD1-CG1 4.27Å; L1032-I1036 HydrophobicContact CD2-CD1 4.38Å; L1032-I1036 HydrophobicContact CG-CD1 3.73Å; L1032-I1036 HydrophobicContact CG-CG1 4.47Å; L1032-I1036 WeakPolarHBondContact O-CG1 3.39Å; L1032-I1036 PolarHBondContact O-N 3.08Å; F1033-I1036 PolarHBondContact O-N 3.13Å; I1036-H1039 PolarHBondContact O-N 3.36Å
1037Y88.8Confident85.8Confident16 Ų1658.7 Ų58.76%0.06333%0.33CS..G310 helixtrans-60-41.2-169.8-173.7-121.6000114.1E901 W903 F1033 H1039 V1040 L1046 A1047 M1050E901-Y1037 PolarHBondContact OE1-OH 3.01Å; E901-Y1037 PolarHBondContact OE2-OH 3.36Å; W903-Y1037 WeakPolarHBondContact CB-OH 3.48Å; W903-Y1037 VanDerWaalsContact CD1-OH 3.27Å; F1033-Y1037 HydrophobicContact CD2-CG 4.47Å; F1033-Y1037 AromaticContact CE1-CD1 3.62Å; F1033-Y1037 HydrophobicContact CE1-CD1 3.62Å; F1033-Y1037 HydrophobicContact CE1-CD2 4.45Å; F1033-Y1037 HydrophobicContact CE1-CE1 4.16Å; F1033-Y1037 AromaticContact CE1-CG 3.78Å; F1033-Y1037 HydrophobicContact CE1-CG 3.78Å; F1033-Y1037 HydrophobicContact CE2-CD1 4.31Å; F1033-Y1037 AromaticContact CE2-CD2 3.66Å; F1033-Y1037 HydrophobicContact CE2-CD2 3.66Å; F1033-Y1037 HydrophobicContact CE2-CE2 4.22Å; F1033-Y1037 AromaticContact CE2-CG 3.72Å; F1033-Y1037 HydrophobicContact CE2-CG 3.72Å; F1033-Y1037 AromaticContact CZ-CD1 3.45Å; F1033-Y1037 HydrophobicContact CZ-CD1 3.45Å; F1033-Y1037 VanDerWaalsContact CZ-CD1 3.45Å; F1033-Y1037 AromaticContact CZ-CD2 3.55Å; F1033-Y1037 HydrophobicContact CZ-CD2 3.55Å; F1033-Y1037 AromaticContact CZ-CE1 3.78Å; F1033-Y1037 HydrophobicContact CZ-CE1 3.78Å; F1033-Y1037 AromaticContact CZ-CE2 3.9Å; F1033-Y1037 HydrophobicContact CZ-CE2 3.9Å; F1033-Y1037 AromaticContact CZ-CG 3.32Å; F1033-Y1037 HydrophobicContact CZ-CG 3.32Å; F1033-Y1037 WeakPolarHBondContact O-CB 3.39Å; F1033-Y1037 PolarHBondContact O-N 3.07Å; Y1037-H1039 PolarHBondContact O-N 2.7Å; Y1037-V1040 WeakPolarHBondContact O-CB 3.2Å; Y1037-V1040 PolarHBondContact O-N 3.13Å; Y1037-L1046 HydrophobicContact CE2-CD2 4.08Å; Y1037-A1047 HydrophobicContact CD1-CB 4.22Å; Y1037-A1047 HydrophobicContact CD2-CB 4.3Å; Y1037-A1047 HydrophobicContact CE1-CB 3.6Å; Y1037-A1047 HydrophobicContact CE2-CB 3.67Å; Y1037-A1047 WeakPolarHBondContact OH-CB 3.41Å; Y1037-M1050 HydrophobicContact CD1-CB 4.18Å; Y1037-M1050 HydrophobicContact CD1-CG 3.89Å; Y1037-M1050 HydrophobicContact CE1-CB 4.32Å; Y1037-M1050 HydrophobicContact CE1-CG 3.7Å
1038P87.5Confident85.1Confident2 Ų261 Ų611%0.01335%0.348CS..G310 helixtrans-56-30.8172.5-33.242.4000115.5L1034 M1050 M1053 D1054L1034-P1038 WeakPolarHBondContact O-CD 3.17Å; L1034-P1038 WeakPolarHBondContact O-CG 3.47Å; P1038-M1050 WeakPolarHBondContact CB-O 3.37Å; P1038-M1050 WeakPolarHBondContact CG-O 3.38Å; P1038-M1053 HydrophobicContact CG-CB 4.3Å; P1038-D1054 HydrophobicContact CG-CB 4.19Å
1039H87.1Confident84.5Confident104 Ų10463.3 Ų63.348%0.48135%0.352SS..G310 helixtrans-89.8-4.4-177.1-64-62.3000113.6T1035 I1036 Y1037 Y1041 D1054T1035-H1039 PolarHBondContact O-CD2 2.98Å; I1036-H1039 PolarHBondContact O-N 3.36Å; Y1037-H1039 PolarHBondContact O-N 2.7Å; H1039-Y1041 VanDerWaalsContact C-N 3.26Å; H1039-Y1041 PolarHBondContact O-N 2.9Å; H1039-D1054 IonicContact CD2-OD2 3.86Å; H1039-D1054 IonicContact CE1-OD2 3.67Å; H1039-D1054 IonicContact NE2-OD1 2.87Å; H1039-D1054 IonicContact NE2-OD2 2.83Å; H1039-D1054 PolarHBondContact NE2-OD2 2.93Å
1040V84.8Confident84.1Confident35 Ų3561.3 Ų61.321%0.21234%0.337CS..THydrogen-bonded Turntrans-65.8-35.6176175.80000110.5Y1037 T1043 L1044Y1037-V1040 WeakPolarHBondContact O-CB 3.2Å; Y1037-V1040 PolarHBondContact O-N 3.13Å; V1040-T1043 PolarHBondContact O-N 2.88Å; V1040-T1043 PolarHBondContact O-OG1 3.46Å; V1040-L1044 HydrophobicContact CG1-CB 4.09Å; V1040-L1044 HydrophobicContact CG1-CD1 4.28Å; V1040-L1044 PolarHBondContact O-N 2.98Å
1041Y72.7Confident83.8Confident102 Ų10264.9 Ų64.940%0.436%0.359SS..THydrogen-bonded Turntrans-81.6117.1168.8-167.9-92.9000108.4H1039 V1051H1039-Y1041 VanDerWaalsContact C-N 3.26Å; H1039-Y1041 PolarHBondContact O-N 2.9Å; Y1041-V1051 HydrophobicContact CD1-CG2 3.41Å; Y1041-V1051 VanDerWaalsContact CD1-CG2 3.41Å; Y1041-V1051 HydrophobicContact CE1-CG2 4.28Å; Y1041-V1051 HydrophobicContact CG-CG2 3.89Å
1042P68.3Low83.4Confident108 Ų10864.5 Ų64.570%0.70137%0.366SS*.THydrogen-bonded Turncis-111.12.639.9616.3000115.4
1043T81.4Confident83.2Confident113 Ų11360.4 Ų60.469%0.69335%0.345SS*.THydrogen-bonded Turntrans-68.8-37.4-172.965.10000112.9V1040V1040-T1043 PolarHBondContact O-N 2.88Å; V1040-T1043 PolarHBondContact O-OG1 3.46Å
1044L78.5Confident83.1Confident105 Ų10559.1 Ų59.155%0.5534%0.34SS..SBendtrans-122.6136.6170.1-68.7168.2000107.2V1040 L1046V1040-L1044 HydrophobicContact CG1-CB 4.09Å; V1040-L1044 HydrophobicContact CG1-CD1 4.28Å; V1040-L1044 PolarHBondContact O-N 2.98Å; L1044-L1046 HydrophobicContact CB-CB 4.46Å; L1044-L1046 PolarHBondContact O-N 3.46Å
1045P77.7Confident83Confident127 Ų12766.2 Ų66.283%0.82537%0.371SS*.SBendtrans-74.152.4176.432.9-36.2000111
1046L73Confident82.9Confident68 Ų6864.8 Ų64.836%0.35636%0.364SS..  trans-117.6146.8176.3-150.795.5000107.4W903 Y1037 L1044 S1048W903-L1046 HydrophobicContact CZ2-CD1 4.28Å; Y1037-L1046 HydrophobicContact CE2-CD2 4.08Å; L1044-L1046 HydrophobicContact CB-CB 4.46Å; L1044-L1046 PolarHBondContact O-N 3.46Å; L1046-S1048 PolarHBondContact O-N 2.98Å
1047A73.5Confident82.9Confident11 Ų1160.1 Ų60.19%0.09134%0.341CS..  trans61.634.9171.400000116.7Y1037 D1049 M1050Y1037-A1047 HydrophobicContact CD1-CB 4.22Å; Y1037-A1047 HydrophobicContact CD2-CB 4.3Å; Y1037-A1047 HydrophobicContact CE1-CB 3.6Å; Y1037-A1047 HydrophobicContact CE2-CB 3.67Å; Y1037-A1047 WeakPolarHBondContact OH-CB 3.41Å; A1047-D1049 PolarHBondContact O-N 3.23Å; A1047-M1050 HydrophobicContact CB-CB 4.3Å; A1047-M1050 HydrophobicContact CB-CG 4.48Å; A1047-M1050 PolarHBondContact O-N 2.87Å
1048S81.2Confident83Confident67 Ų6762 Ų6247%0.46935%0.348SS..G310 helixtrans-50.7-33.5176.853.70000113.6L1046 M1050 V1051L1046-S1048 PolarHBondContact O-N 2.98Å; S1048-M1050 VanDerWaalsContact C-N 3.26Å; S1048-M1050 PolarHBondContact O-N 3.13Å; S1048-V1051 WeakPolarHBondContact O-CG2 3.38Å
1049D82.2Confident83Confident86 Ų8664.6 Ų64.646%0.4638%0.375SS..G310 helixtrans-76.3-14.2-175.9-54.7-13000112.6L990 A1047 M1053L990-D1049 HydrophobicContact CD1-CB 4.11Å; L990-D1049 WeakPolarHBondContact CD1-O 3.38Å; A1047-D1049 PolarHBondContact O-N 3.23Å; D1049-M1053 WeakPolarHBondContact O-CE 3.46Å
1050M85.2Confident83Confident3 Ų359.7 Ų59.72%0.01535%0.352CS..G310 helixtrans-96.9-2.1-176.6-68-70.799.300114.3E901 L990 Y1037 P1038 A1047 S1048 G1052 M1053E901-M1050 HydrophobicContact CB-CE 3.8Å; E901-M1050 HydrophobicContact CB-CG 4.41Å; E901-M1050 HydrophobicContact CB-SD 4Å; E901-M1050 HydrophobicContact CG-CE 3.99Å; E901-M1050 HydrophobicContact CG-CG 3.88Å; E901-M1050 HydrophobicContact CG-SD 4.13Å; L990-M1050 HydrophobicContact CB-CE 4.13Å; L990-M1050 HydrophobicContact CD1-CE 3.86Å; L990-M1050 HydrophobicContact CD2-CE 3.83Å; L990-M1050 HydrophobicContact CG-CE 4.15Å; Y1037-M1050 HydrophobicContact CD1-CB 4.18Å; Y1037-M1050 HydrophobicContact CD1-CG 3.89Å; Y1037-M1050 HydrophobicContact CE1-CB 4.32Å; Y1037-M1050 HydrophobicContact CE1-CG 3.7Å; P1038-M1050 WeakPolarHBondContact CB-O 3.37Å; P1038-M1050 WeakPolarHBondContact CG-O 3.38Å; A1047-M1050 HydrophobicContact CB-CB 4.3Å; A1047-M1050 HydrophobicContact CB-CG 4.48Å; A1047-M1050 PolarHBondContact O-N 2.87Å; S1048-M1050 VanDerWaalsContact C-N 3.26Å; S1048-M1050 PolarHBondContact O-N 3.13Å; M1050-G1052 PolarHBondContact O-N 2.85Å; M1050-M1053 HydrophobicContact CB-CG 4.44Å; M1050-M1053 HydrophobicContact CE-CG 4.06Å; M1050-M1053 VanDerWaalsContact O-CB 3.28Å; M1050-M1053 WeakPolarHBondContact O-CB 3.1Å; M1050-M1053 VanDerWaalsContact O-CG 3.27Å; M1050-M1053 WeakPolarHBondContact O-CG 3.4Å; M1050-M1053 PolarHBondContact O-N 3.09Å; M1050-M1053 HydrophobicContact SD-CG 4.12Å
1051V86.6Confident83.1Confident76 Ų7660.5 Ų60.546%0.46137%0.368SS..THydrogen-bonded Turntrans-57.2124.1-177.7178.50000110.8Y1041 S1048 M1053Y1041-V1051 HydrophobicContact CD1-CG2 3.41Å; Y1041-V1051 VanDerWaalsContact CD1-CG2 3.41Å; Y1041-V1051 HydrophobicContact CE1-CG2 4.28Å; Y1041-V1051 HydrophobicContact CG-CG2 3.89Å; S1048-V1051 WeakPolarHBondContact O-CG2 3.38Å; V1051-M1053 VanDerWaalsContact C-N 3.27Å; V1051-M1053 PolarHBondContact O-N 3.35Å
1052G86.4Confident83.9Confident32 Ų3257.8 Ų57.833%0.3336%0.36SS..THydrogen-bonded Turntrans72.49.6179.600000115.8M1050 D1054 F1055 A1056M1050-G1052 PolarHBondContact O-N 2.85Å; G1052-D1054 VanDerWaalsContact C-N 3.31Å; G1052-D1054 PolarHBondContact O-N 3.35Å; G1052-F1055 PolarHBondContact O-N 2.86Å; G1052-A1056 PolarHBondContact O-N 3.17Å
1053M88.5Confident85Confident19 Ų1952.6 Ų52.69%0.09433%0.326CS..Hα-helixtrans-68.5-27.9179.9-74.1-67.2162.300113.6L990 V991 P1038 D1049 M1050 V1051 A1056 V1057L990-M1053 HydrophobicContact CB-CE 3.52Å; L990-M1053 HydrophobicContact CB-SD 3.92Å; L990-M1053 HydrophobicContact CD1-CE 3.64Å; L990-M1053 HydrophobicContact CG-CE 4.23Å; V991-M1053 HydrophobicContact CG2-SD 4.19Å; P1038-M1053 HydrophobicContact CG-CB 4.3Å; D1049-M1053 WeakPolarHBondContact O-CE 3.46Å; M1050-M1053 HydrophobicContact CB-CG 4.44Å; M1050-M1053 HydrophobicContact CE-CG 4.06Å; M1050-M1053 VanDerWaalsContact O-CB 3.28Å; M1050-M1053 WeakPolarHBondContact O-CB 3.1Å; M1050-M1053 VanDerWaalsContact O-CG 3.27Å; M1050-M1053 WeakPolarHBondContact O-CG 3.4Å; M1050-M1053 PolarHBondContact O-N 3.09Å; M1050-M1053 HydrophobicContact SD-CG 4.12Å; V1051-M1053 VanDerWaalsContact C-N 3.27Å; V1051-M1053 PolarHBondContact O-N 3.35Å; M1053-A1056 PolarHBondContact O-N 3.35Å; M1053-V1057 WeakPolarHBondContact O-CB 3.38Å; M1053-V1057 VanDerWaalsContact O-CG2 3.27Å; M1053-V1057 WeakPolarHBondContact O-CG2 3.36Å; M1053-V1057 PolarHBondContact O-N 3.32Å
1054D89.7Confident85.5Confident8 Ų852.9 Ų52.94%0.04332%0.315CS..Hα-helixtrans-58.8-52174.357.7-33.3000111.2P1038 H1039 G1052 A1056 Y1058P1038-D1054 HydrophobicContact CG-CB 4.19Å; H1039-D1054 IonicContact CD2-OD2 3.86Å; H1039-D1054 IonicContact CE1-OD2 3.67Å; H1039-D1054 IonicContact NE2-OD1 2.87Å; H1039-D1054 IonicContact NE2-OD2 2.83Å; H1039-D1054 PolarHBondContact NE2-OD2 2.93Å; G1052-D1054 VanDerWaalsContact C-N 3.31Å; G1052-D1054 PolarHBondContact O-N 3.35Å; D1054-A1056 PolarHBondContact O-N 3.33Å; D1054-Y1058 HydrophobicContact CB-CD2 4.49Å; D1054-Y1058 HydrophobicContact CB-CE2 4.45Å; D1054-Y1058 VanDerWaalsContact O-CB 3.29Å; D1054-Y1058 WeakPolarHBondContact O-CB 3.41Å; D1054-Y1058 VanDerWaalsContact O-CD2 3.28Å; D1054-Y1058 WeakPolarHBondContact O-CD2 3.35Å; D1054-Y1058 PolarHBondContact O-N 3.25Å
1055F88.8Confident86.2Confident154 Ų15454.7 Ų54.768%0.67532%0.318SS*.Hα-helixtrans-65.6-39.1177.1-71.5-77.3000112.2G1052 G1059G1052-F1055 PolarHBondContact O-N 2.86Å; F1055-G1059 WeakPolarHBondContact O-CA 3.46Å; F1055-G1059 PolarHBondContact O-N 3.14Å
1056A88.4Confident86.8Confident27 Ų2749 Ų4922%0.22328%0.282CS..Hα-helixtrans-65-48.9178.400000111.7Y981 V991 G1052 M1053 D1054Y981-A1056 WeakPolarHBondContact CE1-O 3.45Å; Y981-A1056 PolarHBondContact OH-O 2.98Å; V991-A1056 HydrophobicContact CG2-CB 3.95Å; G1052-A1056 PolarHBondContact O-N 3.17Å; M1053-A1056 PolarHBondContact O-N 3.35Å; D1054-A1056 PolarHBondContact O-N 3.33Å
1057V90.5Very high87.7Confident0 Ų048.5 Ų48.50%028%0.278CS..Hα-helixtrans-70.8-47.4-178.2176.10000111V991 N994 L1034 M1053 G1059 C1060 F1063V991-V1057 HydrophobicContact CG1-CG2 4.45Å; N994-V1057 HydrophobicContact CB-CG2 3.82Å; L1034-V1057 HydrophobicContact CD2-CB 4.32Å; L1034-V1057 HydrophobicContact CD2-CG1 4.07Å; M1053-V1057 WeakPolarHBondContact O-CB 3.38Å; M1053-V1057 VanDerWaalsContact O-CG2 3.27Å; M1053-V1057 WeakPolarHBondContact O-CG2 3.36Å; M1053-V1057 PolarHBondContact O-N 3.32Å; V1057-G1059 VanDerWaalsContact C-N 3.35Å; V1057-G1059 PolarHBondContact O-N 3.48Å; V1057-C1060 WeakPolarHBondContact O-CB 3.22Å; V1057-C1060 PolarHBondContact O-N 2.92Å; V1057-F1063 HydrophobicContact CG1-CD1 4Å; V1057-F1063 HydrophobicContact CG1-CD2 3.57Å; V1057-F1063 HydrophobicContact CG1-CE1 3.96Å; V1057-F1063 HydrophobicContact CG1-CE2 3.51Å; V1057-F1063 HydrophobicContact CG1-CG 3.8Å; V1057-F1063 HydrophobicContact CG1-CZ 3.71Å; V1057-F1063 WeakPolarHBondContact O-CD1 3.46Å
1058Y90.7Very high88.6Confident56 Ų5654.1 Ų54.122%0.2231%0.305CS..Hα-helixtrans-72.8-25.2-178.5-62-31.2000113.8F1031 L1034 T1035 D1054 C1060 F1063 W1064F1031-Y1058 AromaticContact CD1-CE1 3.83Å; F1031-Y1058 HydrophobicContact CD1-CE1 3.83Å; F1031-Y1058 AromaticContact CD1-CZ 3.98Å; F1031-Y1058 WeakPolarHBondContact CD1-OH 3.4Å; F1031-Y1058 AromaticContact CE1-CE1 3.99Å; F1031-Y1058 HydrophobicContact CE1-CE1 3.99Å; F1031-Y1058 PolarHBondContact O-OH 3.26Å; F1031-Y1058 VanDerWaalsContact O-OH 3.11Å; L1034-Y1058 HydrophobicContact CD2-CE1 3.79Å; T1035-Y1058 PolarHBondContact OG1-OH 3.49Å; D1054-Y1058 HydrophobicContact CB-CD2 4.49Å; D1054-Y1058 HydrophobicContact CB-CE2 4.45Å; D1054-Y1058 VanDerWaalsContact O-CB 3.29Å; D1054-Y1058 WeakPolarHBondContact O-CB 3.41Å; D1054-Y1058 VanDerWaalsContact O-CD2 3.28Å; D1054-Y1058 WeakPolarHBondContact O-CD2 3.35Å; D1054-Y1058 PolarHBondContact O-N 3.25Å; Y1058-C1060 PolarHBondContact O-N 2.87Å; Y1058-F1063 AromaticContact CD1-CE1 3.91Å; Y1058-F1063 HydrophobicContact CD1-CE1 3.91Å; Y1058-F1063 HydrophobicContact CD1-CZ 4.5Å; Y1058-F1063 HydrophobicContact CE1-CE1 4.26Å; Y1058-F1063 HydrophobicContact CE1-CZ 4.47Å; Y1058-W1064 HydrophobicContact CD1-CH2 4.32Å; Y1058-W1064 AromaticContact CD1-CZ2 3.85Å; Y1058-W1064 HydrophobicContact CD1-CZ2 3.85Å; Y1058-W1064 HydrophobicContact CG-CZ2 4.32Å; Y1058-W1064 PolarHBondContact O-NE1 2.65Å
1059G87.8Confident89.2Confident55 Ų5554.3 Ų54.357%0.56730%0.301SS*.THydrogen-bonded Turntrans-75-10.8173.800000114.2F1055 V1057F1055-G1059 WeakPolarHBondContact O-CA 3.46Å; F1055-G1059 PolarHBondContact O-N 3.14Å; V1057-G1059 VanDerWaalsContact C-N 3.35Å; V1057-G1059 PolarHBondContact O-N 3.48Å
1060C87.1Confident89.7Confident1 Ų150.5 Ų50.51%0.00728%0.28CS..  trans-85.1116.7-178.5179.30000111.7V980 Y981 V1057 Y1058 I1062 F1063V980-C1060 HydrophobicContact CG1-CB 4.47Å; V980-C1060 WeakPolarHBondContact CG1-SG 3.34Å; Y981-C1060 HydrophobicContact CE1-CB 3.89Å; V1057-C1060 WeakPolarHBondContact O-CB 3.22Å; V1057-C1060 PolarHBondContact O-N 2.92Å; Y1058-C1060 PolarHBondContact O-N 2.87Å; C1060-I1062 VanDerWaalsContact C-N 3.32Å; C1060-I1062 PolarHBondContact O-N 3.21Å; C1060-F1063 HydrophobicContact CB-CB 3.88Å; C1060-F1063 WeakPolarHBondContact O-CB 3.46Å; C1060-F1063 PolarHBondContact O-N 3.06Å; C1060-F1063 PolarHBondContact SG-N 3.41Å; C1060-F1063 VanDerWaalsContact SG-N 3.42Å
1061G87.3Confident90.1Very high53 Ų5350.5 Ų50.555%0.54628%0.281SS..Hα-helixtrans-64.7-34.1175.700000113.5F1063 W1064 F1065G1061-F1063 VanDerWaalsContact C-N 3.26Å; G1061-F1063 PolarHBondContact O-N 3.29Å; G1061-W1064 PolarHBondContact O-N 3.37Å; G1061-F1065 PolarHBondContact O-N 3.39Å; G1061-F1065 VanDerWaalsContact O-N 3.16Å
1062I89.3Confident90.4Very high44 Ų4452.8 Ų52.823%0.22629%0.288CS..Hα-helixtrans-64.4-33.8177-66.2168.9000110.8A974 F975 V980 C1060 G1066A974-I1062 HydrophobicContact CB-CG2 3.84Å; F975-I1062 HydrophobicContact CD2-CG2 4.45Å; F975-I1062 HydrophobicContact CE2-CG2 4.25Å; F975-I1062 HydrophobicContact CZ-CG2 4.33Å; V980-I1062 HydrophobicContact CG1-CD1 4.11Å; V980-I1062 HydrophobicContact CG2-CD1 4.5Å; C1060-I1062 VanDerWaalsContact C-N 3.32Å; C1060-I1062 PolarHBondContact O-N 3.21Å; I1062-G1066 PolarHBondContact O-N 3.35Å
1063F91.2Very high90.8Very high0 Ų054.4 Ų54.40%029%0.288CS..Hα-helixtrans-61.8-48.9175.8167.1-100.2000111.8T998 Y999 F1031 V1057 Y1058 C1060 G1061 F1065 G1066 F1067T998-F1063 HydrophobicContact CG2-CE2 4Å; T998-F1063 HydrophobicContact CG2-CZ 3.97Å; Y999-F1063 HydrophobicContact CE1-CD2 4.17Å; Y999-F1063 HydrophobicContact CE1-CE2 4.22Å; Y999-F1063 WeakPolarHBondContact OH-CA 3.36Å; Y999-F1063 PolarHBondContact OH-O 3.1Å; F1031-F1063 HydrophobicContact CE1-CZ 4.4Å; V1057-F1063 HydrophobicContact CG1-CD1 4Å; V1057-F1063 HydrophobicContact CG1-CD2 3.57Å; V1057-F1063 HydrophobicContact CG1-CE1 3.96Å; V1057-F1063 HydrophobicContact CG1-CE2 3.51Å; V1057-F1063 HydrophobicContact CG1-CG 3.8Å; V1057-F1063 HydrophobicContact CG1-CZ 3.71Å; V1057-F1063 WeakPolarHBondContact O-CD1 3.46Å; Y1058-F1063 AromaticContact CD1-CE1 3.91Å; Y1058-F1063 HydrophobicContact CD1-CE1 3.91Å; Y1058-F1063 HydrophobicContact CD1-CZ 4.5Å; Y1058-F1063 HydrophobicContact CE1-CE1 4.26Å; Y1058-F1063 HydrophobicContact CE1-CZ 4.47Å; C1060-F1063 HydrophobicContact CB-CB 3.88Å; C1060-F1063 WeakPolarHBondContact O-CB 3.46Å; C1060-F1063 PolarHBondContact O-N 3.06Å; C1060-F1063 PolarHBondContact SG-N 3.41Å; C1060-F1063 VanDerWaalsContact SG-N 3.42Å; G1061-F1063 VanDerWaalsContact C-N 3.26Å; G1061-F1063 PolarHBondContact O-N 3.29Å; F1063-F1065 PolarHBondContact O-N 3.42Å; F1063-G1066 PolarHBondContact O-N 3.14Å; F1063-F1067 VanDerWaalsContact O-CB 3.29Å; F1063-F1067 WeakPolarHBondContact O-CB 3.34Å; F1063-F1067 PolarHBondContact O-N 2.84Å
1064W92.3Very high91Very high119 Ų11953.5 Ų53.545%0.45128%0.284SS..Hα-helixtrans-67-35.8179.8-68.4109000113.2F1031 Y1058 G1061 F1067 L1068F1031-W1064 HydrophobicContact CE1-CH2 4.4Å; Y1058-W1064 HydrophobicContact CD1-CH2 4.32Å; Y1058-W1064 AromaticContact CD1-CZ2 3.85Å; Y1058-W1064 HydrophobicContact CD1-CZ2 3.85Å; Y1058-W1064 HydrophobicContact CG-CZ2 4.32Å; Y1058-W1064 PolarHBondContact O-NE1 2.65Å; G1061-W1064 PolarHBondContact O-N 3.37Å; W1064-F1067 HydrophobicContact CE3-CD1 4.28Å; W1064-F1067 PolarHBondContact O-N 3.26Å; W1064-L1068 PolarHBondContact O-N 2.96Å
1065F91.8Very high91.3Very high143 Ų14353.6 Ų53.663%0.62728%0.284SS*.Hα-helixtrans-67-45174.3-172.1-100.6000111.7G1061 F1063 F1067 L1068 L1069G1061-F1065 PolarHBondContact O-N 3.39Å; G1061-F1065 VanDerWaalsContact O-N 3.16Å; F1063-F1065 PolarHBondContact O-N 3.42Å; F1065-F1067 VanDerWaalsContact C-N 3.32Å; F1065-F1067 PolarHBondContact O-N 3.47Å; F1065-L1068 PolarHBondContact O-N 3.26Å; F1065-L1069 HydrophobicContact CD1-CD2 4.49Å; F1065-L1069 HydrophobicContact CE1-CD2 3.66Å; F1065-L1069 HydrophobicContact CZ-CD2 4.06Å; F1065-L1069 WeakPolarHBondContact O-CB 3.26Å; F1065-L1069 PolarHBondContact O-N 3.44Å; F1065-L1069 VanDerWaalsContact O-N 3.1Å
1066G91.7Very high91.5Very high7 Ų750.3 Ų50.37%0.07228%0.277CS..Hα-helixtrans-62.8-37.7175.100000112.8I1062 F1063 L1068 L1069 I1070I1062-G1066 PolarHBondContact O-N 3.35Å; F1063-G1066 PolarHBondContact O-N 3.14Å; G1066-L1068 VanDerWaalsContact C-N 3.31Å; G1066-L1068 PolarHBondContact O-N 2.95Å; G1066-L1069 PolarHBondContact O-N 3.23Å; G1066-I1070 VanDerWaalsContact O-CB 3.28Å; G1066-I1070 WeakPolarHBondContact O-CB 3.5Å; G1066-I1070 VanDerWaalsContact O-CG1 3.29Å; G1066-I1070 WeakPolarHBondContact O-CG1 3.36Å; G1066-I1070 PolarHBondContact O-N 3.34Å
1067F92Very high91.7Very high58 Ų5853.1 Ų53.125%0.25428%0.282SS..Hα-helixtrans-58-39.9177.7170.8-101000112.8T998 Y999 V1002 F1031 F1063 W1064 F1065 P1071T998-F1067 HydrophobicContact CG2-CD2 4.22Å; Y999-F1067 HydrophobicContact CD1-CB 4.42Å; Y999-F1067 HydrophobicContact CE1-CB 3.87Å; V1002-F1067 HydrophobicContact CG2-CD2 4.31Å; V1002-F1067 HydrophobicContact CG2-CE2 3.71Å; F1031-F1067 AromaticContact CE2-CE2 3.88Å; F1031-F1067 HydrophobicContact CE2-CE2 3.88Å; F1031-F1067 HydrophobicContact CE2-CZ 4.31Å; F1031-F1067 HydrophobicContact CZ-CD2 4.07Å; F1031-F1067 AromaticContact CZ-CE2 3.5Å; F1031-F1067 HydrophobicContact CZ-CE2 3.5Å; F1031-F1067 HydrophobicContact CZ-CZ 4.02Å; F1063-F1067 VanDerWaalsContact O-CB 3.29Å; F1063-F1067 WeakPolarHBondContact O-CB 3.34Å; F1063-F1067 PolarHBondContact O-N 2.84Å; W1064-F1067 HydrophobicContact CE3-CD1 4.28Å; W1064-F1067 PolarHBondContact O-N 3.26Å; F1065-F1067 VanDerWaalsContact C-N 3.32Å; F1065-F1067 PolarHBondContact O-N 3.47Å; F1067-P1071 VanDerWaalsContact O-CD 3.23Å; F1067-P1071 WeakPolarHBondContact O-CD 3.44Å; F1067-P1071 WeakPolarHBondContact O-CG 3.4Å
1068L91.4Very high91.8Very high128 Ų12853.3 Ų53.367%0.6728%0.283SS*.Hα-helixtrans-79.3-45.7178-174.368000112.1W1064 F1065 G1066 M1072W1064-L1068 PolarHBondContact O-N 2.96Å; F1065-L1068 PolarHBondContact O-N 3.26Å; G1066-L1068 VanDerWaalsContact C-N 3.31Å; G1066-L1068 PolarHBondContact O-N 2.95Å; L1068-M1072 VanDerWaalsContact O-CG 3.23Å; L1068-M1072 WeakPolarHBondContact O-CG 3.25Å
1069L93.4Very high91.9Very high72 Ų7254 Ų5438%0.37729%0.289SS..Hα-helixtrans-80.6-43-167.8-174.267.2000113.1F1065 G1066 M1072 I1073F1065-L1069 HydrophobicContact CD1-CD2 4.49Å; F1065-L1069 HydrophobicContact CE1-CD2 3.66Å; F1065-L1069 HydrophobicContact CZ-CD2 4.06Å; F1065-L1069 WeakPolarHBondContact O-CB 3.26Å; F1065-L1069 PolarHBondContact O-N 3.44Å; F1065-L1069 VanDerWaalsContact O-N 3.1Å; G1066-L1069 PolarHBondContact O-N 3.23Å; L1069-M1072 WeakPolarHBondContact O-CB 3.3Å; L1069-M1072 PolarHBondContact O-N 2.93Å; L1069-I1073 HydrophobicContact CD1-CD1 4.01Å; L1069-I1073 HydrophobicContact CD1-CG1 4.28Å; L1069-I1073 HydrophobicContact CD2-CD1 4.12Å; L1069-I1073 HydrophobicContact CG-CD1 3.67Å; L1069-I1073 HydrophobicContact CG-CG1 4.29Å; L1069-I1073 WeakPolarHBondContact O-CG1 3.4Å; L1069-I1073 PolarHBondContact O-N 3.34Å
1070I94.1Very high92.2Very high5 Ų554 Ų543%0.02628%0.284CS..Hα-helixtrans-70.5-47.2-167.1-59.6176.1000112L967 I970 P971 Y999 G1066 M1072 I1073 A1074L967-I1070 HydrophobicContact CD2-CG2 3.82Å; I970-I1070 HydrophobicContact CB-CD1 4.32Å; I970-I1070 HydrophobicContact CG2-CD1 3.81Å; I970-I1070 HydrophobicContact CG2-CG1 3.86Å; P971-I1070 HydrophobicContact CG-CD1 3.6Å; Y999-I1070 HydrophobicContact CD2-CD1 3.86Å; Y999-I1070 HydrophobicContact CE2-CD1 3.69Å; G1066-I1070 VanDerWaalsContact O-CB 3.28Å; G1066-I1070 WeakPolarHBondContact O-CB 3.5Å; G1066-I1070 VanDerWaalsContact O-CG1 3.29Å; G1066-I1070 WeakPolarHBondContact O-CG1 3.36Å; G1066-I1070 PolarHBondContact O-N 3.34Å; I1070-M1072 VanDerWaalsContact C-N 3.27Å; I1070-M1072 PolarHBondContact O-N 3.23Å; I1070-I1073 PolarHBondContact O-N 3.31Å; I1070-A1074 PolarHBondContact O-N 2.86Å
1071P93.5Very high92.3Very high4 Ų461.3 Ų61.33%0.02631%0.312CS..Hα-helixtrans-59.6-37.2173.3-24.936.2000112.9V1002 T1003 L1006 F1067 A1074 L1075V1002-P1071 HydrophobicContact CB-CG 4.35Å; V1002-P1071 HydrophobicContact CG1-CB 4.12Å; V1002-P1071 HydrophobicContact CG1-CG 3.94Å; T1003-P1071 WeakPolarHBondContact OG1-CA 3.41Å; T1003-P1071 WeakPolarHBondContact OG1-CB 3.25Å; L1006-P1071 HydrophobicContact CD1-CB 4.42Å; F1067-P1071 VanDerWaalsContact O-CD 3.23Å; F1067-P1071 WeakPolarHBondContact O-CD 3.44Å; F1067-P1071 WeakPolarHBondContact O-CG 3.4Å; P1071-A1074 PolarHBondContact O-N 3.33Å; P1071-L1075 WeakPolarHBondContact O-CB 3.38Å; P1071-L1075 WeakPolarHBondContact O-CG 3.32Å; P1071-L1075 PolarHBondContact O-N 3.38Å
1072M93.2Very high92.4Very high124 Ų12460.7 Ų60.761%0.61129%0.294SS*.Hα-helixtrans-63.6-45.7177.4-75-71.6-77.800111.9L1068 L1069 I1070 L1075 T1076L1068-M1072 VanDerWaalsContact O-CG 3.23Å; L1068-M1072 WeakPolarHBondContact O-CG 3.25Å; L1069-M1072 WeakPolarHBondContact O-CB 3.3Å; L1069-M1072 PolarHBondContact O-N 2.93Å; I1070-M1072 VanDerWaalsContact C-N 3.27Å; I1070-M1072 PolarHBondContact O-N 3.23Å; M1072-L1075 PolarHBondContact O-N 3.41Å; M1072-T1076 PolarHBondContact O-N 2.94Å; M1072-T1076 VanDerWaalsContact O-N 3.1Å; M1072-T1076 PolarHBondContact O-OG1 2.9Å
1073I94.2Very high92.3Very high65 Ų6564.4 Ų64.433%0.33331%0.312SS..Hα-helixtrans-61.1-48177-69172.5000110.4L966 I970 L1069 I1070 L1075 T1076L966-I1073 HydrophobicContact CD1-CG2 4.45Å; I970-I1073 HydrophobicContact CD1-CG2 4.47Å; L1069-I1073 HydrophobicContact CD1-CD1 4.01Å; L1069-I1073 HydrophobicContact CD1-CG1 4.28Å; L1069-I1073 HydrophobicContact CD2-CD1 4.12Å; L1069-I1073 HydrophobicContact CG-CD1 3.67Å; L1069-I1073 HydrophobicContact CG-CG1 4.29Å; L1069-I1073 WeakPolarHBondContact O-CG1 3.4Å; L1069-I1073 PolarHBondContact O-N 3.34Å; I1070-I1073 PolarHBondContact O-N 3.31Å; I1073-L1075 PolarHBondContact O-N 3.42Å; I1073-T1076 PolarHBondContact O-N 3.12Å
1074A93.4Very high92.2Very high0 Ų066.6 Ų66.60%033%0.33CS..Hα-helixtrans-59-46.5-179.400000111.8H963 L966 T1003 I1070 P1071 T1076H963-A1074 PolarHBondContact NE2-O 2.86Å; H963-A1074 VanDerWaalsContact NE2-O 3.12Å; L966-A1074 HydrophobicContact CD1-CB 4.46Å; T1003-A1074 HydrophobicContact CG2-CB 3.83Å; I1070-A1074 PolarHBondContact O-N 2.86Å; P1071-A1074 PolarHBondContact O-N 3.33Å; A1074-T1076 PolarHBondContact O-N 3.21Å
1075L94.2Very high91.8Very high11 Ų1165.5 Ų65.56%0.05833%0.329CS..Hα-helixtrans-76.9-18.4-175.4-63.8173.1000114.5T1003 L1006 K1007 L1010 P1071 M1072 I1073 R1077 D1078 I1079T1003-L1075 HydrophobicContact CG2-CD2 4.12Å; T1003-L1075 HydrophobicContact CG2-CG 4.28Å; L1006-L1075 HydrophobicContact CB-CD1 3.47Å; L1006-L1075 VanDerWaalsContact CB-CD1 3.47Å; L1006-L1075 HydrophobicContact CD1-CD1 3.85Å; L1006-L1075 HydrophobicContact CG-CD1 4.33Å; K1007-L1075 HydrophobicContact CB-CD2 3.95Å; L1010-L1075 HydrophobicContact CD1-CB 4.3Å; L1010-L1075 HydrophobicContact CD1-CD2 3.93Å; P1071-L1075 WeakPolarHBondContact O-CB 3.38Å; P1071-L1075 WeakPolarHBondContact O-CG 3.32Å; P1071-L1075 PolarHBondContact O-N 3.38Å; M1072-L1075 PolarHBondContact O-N 3.41Å; I1073-L1075 PolarHBondContact O-N 3.42Å; L1075-R1077 VanDerWaalsContact C-N 3.28Å; L1075-R1077 PolarHBondContact O-N 3.21Å; L1075-D1078 PolarHBondContact O-N 3.24Å; L1075-D1078 VanDerWaalsContact O-N 3.08Å; L1075-I1079 WeakPolarHBondContact O-CG1 3.23Å; L1075-I1079 PolarHBondContact O-N 2.93Å
1076T93Very high91.3Very high85 Ų8563.7 Ų63.752%0.52132%0.317SS..Hα-helixtrans-56.2-43.6-178-65.70000111.8M1072 I1073 A1074 D1078 I1079 A1080M1072-T1076 PolarHBondContact O-N 2.94Å; M1072-T1076 VanDerWaalsContact O-N 3.1Å; M1072-T1076 PolarHBondContact O-OG1 2.9Å; I1073-T1076 PolarHBondContact O-N 3.12Å; A1074-T1076 PolarHBondContact O-N 3.21Å; T1076-D1078 VanDerWaalsContact C-N 3.33Å; T1076-D1078 PolarHBondContact O-N 3.39Å; T1076-I1079 PolarHBondContact O-N 3.21Å; T1076-A1080 WeakPolarHBondContact O-CB 3.46Å; T1076-A1080 PolarHBondContact O-N 3.32Å
1077R93.2Very high90.9Very high86 Ų8669.4 Ų69.433%0.32535%0.351SS..Hα-helixtrans-62-41.1177.8176.5-82.5-147.7179.34.2112N959 Y962 L1075 A1080 W1081N959-R1077 VanDerWaalsContact OD1-CZ 3.26Å; N959-R1077 PolarHBondContact OD1-NH1 3.36Å; Y962-R1077 HydrophobicContact CE1-CB 3.85Å; Y962-R1077 HydrophobicContact CE1-CG 3.99Å; L1075-R1077 VanDerWaalsContact C-N 3.28Å; L1075-R1077 PolarHBondContact O-N 3.21Å; R1077-A1080 PolarHBondContact O-N 3.17Å; R1077-W1081 WeakPolarHBondContact O-CB 3.26Å; R1077-W1081 PolarHBondContact O-N 3.12Å
1078D93.2Very high90.4Very high4 Ų472.3 Ų72.32%0.02137%0.374CS..Hα-helixtrans-70.4-37.9-179.5-82.4-11.4000112.6N959 H963 K1007 L1010 L1075 T1076 K1082N959-D1078 PolarHBondContact ND2-OD1 3.45Å; N959-D1078 PolarHBondContact ND2-OD2 3.4Å; N959-D1078 PolarHBondContact OD1-OD1 2.97Å; H963-D1078 IonicContact CE1-OD2 3.37Å; H963-D1078 PolarHBondContact CE1-OD2 3.2Å; H963-D1078 IonicContact NE2-OD2 3.83Å; K1007-D1078 VanDerWaalsContact CD-OD2 3.26Å; K1007-D1078 WeakPolarHBondContact CD-OD2 3.36Å; K1007-D1078 WeakPolarHBondContact CE-OD2 3.32Å; K1007-D1078 VanDerWaalsContact NZ-CG 3.29Å; K1007-D1078 IonicContact NZ-OD1 3.66Å; K1007-D1078 IonicContact NZ-OD2 3.41Å; K1007-D1078 PolarHBondContact NZ-OD2 3.43Å; L1010-D1078 HydrophobicContact CD1-CB 4.47Å; L1075-D1078 PolarHBondContact O-N 3.24Å; L1075-D1078 VanDerWaalsContact O-N 3.08Å; T1076-D1078 VanDerWaalsContact C-N 3.33Å; T1076-D1078 PolarHBondContact O-N 3.39Å; D1078-K1082 VanDerWaalsContact O-CB 3.27Å; D1078-K1082 WeakPolarHBondContact O-CB 3.41Å; D1078-K1082 PolarHBondContact O-N 3.38Å
1079I93.2Very high89.5Confident70 Ų7069.3 Ų69.336%0.35937%0.367SS..Hα-helixtrans-62.6-49.1172.7-65.4168.1000109.7L1010 L1075 T1076 W1081 K1082 M1083L1010-I1079 HydrophobicContact CD1-CG1 3.91Å; L1010-I1079 HydrophobicContact CD2-CD1 4.43Å; L1010-I1079 HydrophobicContact CD2-CG1 3.97Å; L1075-I1079 WeakPolarHBondContact O-CG1 3.23Å; L1075-I1079 PolarHBondContact O-N 2.93Å; T1076-I1079 PolarHBondContact O-N 3.21Å; I1079-W1081 PolarHBondContact O-N 2.92Å; I1079-K1082 PolarHBondContact O-N 2.8Å; I1079-M1083 HydrophobicContact CG2-CE 3.68Å; I1079-M1083 HydrophobicContact CG2-SD 4.01Å; I1079-M1083 WeakPolarHBondContact O-CB 3.46Å; I1079-M1083 WeakPolarHBondContact O-CG 3.16Å; I1079-M1083 PolarHBondContact O-N 3.39Å
1080A93Very high88.4Confident56 Ų5666.6 Ų66.646%0.46336%0.356SS..Hα-helixtrans-60.2-45.7178.900000112.2T1076 R1077 M1083 A1084T1076-A1080 WeakPolarHBondContact O-CB 3.46Å; T1076-A1080 PolarHBondContact O-N 3.32Å; R1077-A1080 PolarHBondContact O-N 3.17Å; A1080-M1083 PolarHBondContact O-N 3.04Å; A1080-A1084 WeakPolarHBondContact O-CB 3.31Å; A1080-A1084 PolarHBondContact O-N 2.84Å
1081W90.4Very high87.6Confident153 Ų15368.1 Ų68.158%0.5837%0.367SS*.Hα-helixtrans-61.5-45.3176.8174.4-106.1000112.2R1077 I1079 M1083 A1084 K1085R1077-W1081 WeakPolarHBondContact O-CB 3.26Å; R1077-W1081 PolarHBondContact O-N 3.12Å; I1079-W1081 PolarHBondContact O-N 2.92Å; W1081-M1083 PolarHBondContact O-N 3.03Å; W1081-A1084 PolarHBondContact O-N 3.28Å; W1081-K1085 WeakPolarHBondContact O-CB 3.49Å; W1081-K1085 PolarHBondContact O-N 2.88Å
1082K87.6Confident87Confident40 Ų4070.4 Ų70.417%0.17438%0.379CS..Hα-helixtrans-66.5-38.2-179.3-167.8162-171.9159.10111.9L1010 E1011 D1078 I1079 R1086L1010-K1082 PolarHBondContact O-NZ 2.96Å; E1011-K1082 IonicContact OE2-NZ 3.05Å; E1011-K1082 PolarHBondContact OE2-NZ 2.76Å; D1078-K1082 VanDerWaalsContact O-CB 3.27Å; D1078-K1082 WeakPolarHBondContact O-CB 3.41Å; D1078-K1082 PolarHBondContact O-N 3.38Å; I1079-K1082 PolarHBondContact O-N 2.8Å; K1082-R1086 WeakPolarHBondContact O-CB 3.45Å; K1082-R1086 VanDerWaalsContact O-CG 3.28Å; K1082-R1086 WeakPolarHBondContact O-CG 3.37Å; K1082-R1086 PolarHBondContact O-N 3.47Å; K1082-R1086 VanDerWaalsContact O-N 3.16Å
1083M88.1Confident86.5Confident123 Ų12365.2 Ų65.261%0.60635%0.353SS*.Hα-helixtrans-63.7-49.3171.9-72.6178.7175.300111.2I1079 A1080 W1081 K1085 R1086 V1087I1079-M1083 HydrophobicContact CG2-CE 3.68Å; I1079-M1083 HydrophobicContact CG2-SD 4.01Å; I1079-M1083 WeakPolarHBondContact O-CB 3.46Å; I1079-M1083 WeakPolarHBondContact O-CG 3.16Å; I1079-M1083 PolarHBondContact O-N 3.39Å; A1080-M1083 PolarHBondContact O-N 3.04Å; W1081-M1083 PolarHBondContact O-N 3.03Å; M1083-K1085 PolarHBondContact O-N 3.34Å; M1083-R1086 PolarHBondContact O-N 3.39Å; M1083-V1087 WeakPolarHBondContact O-CG2 3.3Å; M1083-V1087 PolarHBondContact O-N 3.18Å; M1083-V1087 VanDerWaalsContact O-N 3.17Å
1084A88.7Confident85.9Confident46 Ų4664.1 Ų64.138%0.3835%0.346SS..Hα-helixtrans-59.3-46.3179.600000112.1A1080 W1081 R1086 V1087 T1088A1080-A1084 WeakPolarHBondContact O-CB 3.31Å; A1080-A1084 PolarHBondContact O-N 2.84Å; W1081-A1084 PolarHBondContact O-N 3.28Å; A1084-R1086 PolarHBondContact O-N 2.96Å; A1084-V1087 PolarHBondContact O-N 3.43Å; A1084-T1088 PolarHBondContact O-N 3.22Å; A1084-T1088 PolarHBondContact O-OG1 2.85Å
1085K85.3Confident85.4Confident96 Ų9667.1 Ų67.142%0.41736%0.36SS..Hα-helixtrans-60.3-45.2178.3-175-173.1175.1-162.10111.9W1081 M1083 V1087 A1089 G1090W1081-K1085 WeakPolarHBondContact O-CB 3.49Å; W1081-K1085 PolarHBondContact O-N 2.88Å; M1083-K1085 PolarHBondContact O-N 3.34Å; K1085-V1087 PolarHBondContact O-N 2.65Å; K1085-A1089 CarbonylContact O-C 3.58Å; K1085-A1089 WeakPolarHBondContact O-CA 3.36Å; K1085-A1089 PolarHBondContact O-N 2.83Å; K1085-G1090 PolarHBondContact O-N 3.46Å
1086R80.9Confident85Confident104 Ų10466.6 Ų66.639%0.39236%0.358SS..Hα-helixtrans-62.5-31.9179.5-78176.2177.9-176.6-0.4112.8K1082 M1083 A1084K1082-R1086 WeakPolarHBondContact O-CB 3.45Å; K1082-R1086 VanDerWaalsContact O-CG 3.28Å; K1082-R1086 WeakPolarHBondContact O-CG 3.37Å; K1082-R1086 PolarHBondContact O-N 3.47Å; K1082-R1086 VanDerWaalsContact O-N 3.16Å; M1083-R1086 PolarHBondContact O-N 3.39Å; A1084-R1086 PolarHBondContact O-N 2.96Å
1087V83.3Confident84.5Confident128 Ų12863.8 Ų63.878%0.77634%0.339SS*.Hα-helixtrans-82.5-44.5-179.3174.50000111.8M1083 A1084 K1085M1083-V1087 WeakPolarHBondContact O-CG2 3.3Å; M1083-V1087 PolarHBondContact O-N 3.18Å; M1083-V1087 VanDerWaalsContact O-N 3.17Å; A1084-V1087 PolarHBondContact O-N 3.43Å; K1085-V1087 PolarHBondContact O-N 2.65Å
1088T80.4Confident84.1Confident119 Ų11963.1 Ų63.173%0.7334%0.339SS*.Hα-helixtrans-92.8-30.4-17161.30000114.1A1084A1084-T1088 PolarHBondContact O-N 3.22Å; A1084-T1088 PolarHBondContact O-OG1 2.85Å
1089A74Confident83.6Confident65 Ų6564.5 Ų64.554%0.53735%0.346SS..SBendtrans-144.141.2-170.900000111.4K1085 S1091K1085-A1089 CarbonylContact O-C 3.58Å; K1085-A1089 WeakPolarHBondContact O-CA 3.36Å; K1085-A1089 PolarHBondContact O-N 2.83Å; A1089-S1091 PolarHBondContact O-N 2.97Å
1090G70.2Confident83.2Confident14 Ų1464.3 Ų64.314%0.14434%0.344CS..  trans-61.1124.2177.900000110.7K1085 E1094 Q1095K1085-G1090 PolarHBondContact O-N 3.46Å; G1090-E1094 WeakPolarHBondContact CA-OE2 3.45Å; G1090-Q1095 PolarHBondContact O-NE2 3.35Å
1091S77.6Confident82.7Confident37 Ų3768.5 Ų68.526%0.25935%0.354SS..  trans-64157.9176.873.10000110.9A1089 R1093 E1094 Q1095A1089-S1091 PolarHBondContact O-N 2.97Å; S1091-R1093 PolarHBondContact O-N 3.27Å; S1091-R1093 VanDerWaalsContact O-N 3.14Å; S1091-E1094 PolarHBondContact N-OE2 3.45Å; S1091-E1094 PolarHBondContact O-N 2.97Å; S1091-E1094 WeakPolarHBondContact OG-CG 3.27Å; S1091-E1094 PolarHBondContact OG-N 3.38Å; S1091-Q1095 WeakPolarHBondContact O-CG 3.43Å; S1091-Q1095 PolarHBondContact O-N 2.86Å
1092L80.3Confident82.5Confident53 Ų5367.1 Ų67.128%0.27736%0.355SS..Hα-helixtrans-51.5-41.2177179.765.2000111.2L938 Q1095 V1096 L1109 I1110L938-L1092 HydrophobicContact CD2-CD2 4.29Å; L938-L1092 HydrophobicContact CD2-CG 4.11Å; L1092-Q1095 PolarHBondContact O-N 3.48Å; L1092-V1096 WeakPolarHBondContact O-CG2 3.21Å; L1092-V1096 PolarHBondContact O-N 2.99Å; L1092-L1109 HydrophobicContact CD1-CD2 3.55Å; L1092-I1110 HydrophobicContact CD1-CG1 4.44Å
1093R81.9Confident82.3Confident14 Ų1474.1 Ų74.15%0.05339%0.389CS..Hα-helixtrans-61.4-48.3174.7175.6174.8-83.5149.2-7.7112.4N865 D941 T942 S1091 Q1095 V1096 M1097N865-R1093 PolarHBondContact ND2-NH1 3.17Å; N865-R1093 PolarHBondContact ND2-NH2 3.41Å; N865-R1093 PolarHBondContact OD1-NH1 3.43Å; N865-R1093 VanDerWaalsContact OD1-NH1 3.13Å; D941-R1093 IonicContact OD2-CZ 2.89Å; D941-R1093 IonicContact OD2-NH1 2.76Å; D941-R1093 PolarHBondContact OD2-NH1 2.69Å; T942-R1093 VanDerWaalsContact CG2-NH2 3.34Å; S1091-R1093 PolarHBondContact O-N 3.27Å; S1091-R1093 VanDerWaalsContact O-N 3.14Å; R1093-Q1095 VanDerWaalsContact C-N 3.3Å; R1093-Q1095 PolarHBondContact O-N 2.88Å; R1093-V1096 PolarHBondContact O-N 3.45Å; R1093-M1097 HydrophobicContact CG-SD 4.26Å; R1093-M1097 VanDerWaalsContact O-CG 3.26Å; R1093-M1097 WeakPolarHBondContact O-CG 3.38Å; R1093-M1097 PolarHBondContact O-N 3.42Å
1094E82.1Confident82Confident42 Ų4272.2 Ų72.220%0.19638%0.383CS..Hα-helixtrans-62.6-37178.4-73.1173.3172.600112.1G1090 S1091 M1097 Q1098G1090-E1094 WeakPolarHBondContact CA-OE2 3.45Å; S1091-E1094 PolarHBondContact N-OE2 3.45Å; S1091-E1094 PolarHBondContact O-N 2.97Å; S1091-E1094 WeakPolarHBondContact OG-CG 3.27Å; S1091-E1094 PolarHBondContact OG-N 3.38Å; E1094-M1097 WeakPolarHBondContact O-CB 3.37Å; E1094-M1097 PolarHBondContact O-N 3.44Å; E1094-Q1098 WeakPolarHBondContact O-CG 3.21Å; E1094-Q1098 PolarHBondContact O-N 3.18Å
1095Q82.8Confident81.6Confident64 Ų6475.1 Ų75.130%0.29939%0.393SS..Hα-helixtrans-66.4-41.9175.3-65.3175.918.500111.7G1090 S1091 L1092 R1093 Q1098 M1099 L1109G1090-Q1095 PolarHBondContact O-NE2 3.35Å; S1091-Q1095 WeakPolarHBondContact O-CG 3.43Å; S1091-Q1095 PolarHBondContact O-N 2.86Å; L1092-Q1095 PolarHBondContact O-N 3.48Å; R1093-Q1095 VanDerWaalsContact C-N 3.3Å; R1093-Q1095 PolarHBondContact O-N 2.88Å; Q1095-Q1098 PolarHBondContact O-N 3.48Å; Q1095-M1099 HydrophobicContact CB-CE 4.39Å; Q1095-M1099 WeakPolarHBondContact O-CG 3.4Å; Q1095-M1099 PolarHBondContact O-N 3.27Å; Q1095-L1109 HydrophobicContact CB-CD2 3.9Å
1096V84.9Confident81.3Confident0 Ų070.7 Ų70.70%037%0.374CS..Hα-helixtrans-63.8-41.5174.5170.20000111.4L938 L1092 R1093 Q1098 M1099 E1100 P1106 L1109 I1110L938-V1096 HydrophobicContact CD1-CG1 4.19Å; L938-V1096 HydrophobicContact CD2-CB 4.39Å; L938-V1096 HydrophobicContact CD2-CG2 4.01Å; L1092-V1096 WeakPolarHBondContact O-CG2 3.21Å; L1092-V1096 PolarHBondContact O-N 2.99Å; R1093-V1096 PolarHBondContact O-N 3.45Å; V1096-Q1098 VanDerWaalsContact C-N 3.35Å; V1096-Q1098 PolarHBondContact O-N 3.2Å; V1096-M1099 PolarHBondContact O-N 3.07Å; V1096-E1100 WeakPolarHBondContact O-CB 3.24Å; V1096-E1100 PolarHBondContact O-N 3.32Å; V1096-P1106 HydrophobicContact CB-CB 4.45Å; V1096-P1106 HydrophobicContact CG1-CB 4.19Å; V1096-P1106 HydrophobicContact CG1-CG 4.04Å; V1096-P1106 HydrophobicContact CG2-CB 3.99Å; V1096-L1109 HydrophobicContact CG2-CD2 4.47Å; V1096-I1110 HydrophobicContact CG2-CD1 3.96Å; V1096-I1110 HydrophobicContact CG2-CG1 4.28Å
1097M84Confident81.2Confident26 Ų2666 Ų6613%0.12836%0.358CS..Hα-helixtrans-60.6-42.4175.2-70.8174.468.400112.6S926 T1013 R1093 E1094 E1100 Q1101S926-M1097 WeakPolarHBondContact O-CE 3.5Å; S926-M1097 WeakPolarHBondContact O-CG 3.46Å; T1013-M1097 HydrophobicContact CG2-CE 3.75Å; R1093-M1097 HydrophobicContact CG-SD 4.26Å; R1093-M1097 VanDerWaalsContact O-CG 3.26Å; R1093-M1097 WeakPolarHBondContact O-CG 3.38Å; R1093-M1097 PolarHBondContact O-N 3.42Å; E1094-M1097 WeakPolarHBondContact O-CB 3.37Å; E1094-M1097 PolarHBondContact O-N 3.44Å; M1097-E1100 PolarHBondContact O-N 3.48Å; M1097-Q1101 WeakPolarHBondContact O-CG 3.34Å; M1097-Q1101 PolarHBondContact O-N 3.49Å
1098Q83.2Confident80.8Confident71 Ų7170.3 Ų70.333%0.33236%0.361SS..Hα-helixtrans-63.6-42.5177.1-73.7173.17.200111.3E1094 Q1095 V1096 E1100 Q1101 M1102E1094-Q1098 WeakPolarHBondContact O-CG 3.21Å; E1094-Q1098 PolarHBondContact O-N 3.18Å; Q1095-Q1098 PolarHBondContact O-N 3.48Å; V1096-Q1098 VanDerWaalsContact C-N 3.35Å; V1096-Q1098 PolarHBondContact O-N 3.2Å; Q1098-E1100 VanDerWaalsContact C-N 3.33Å; Q1098-E1100 PolarHBondContact O-N 3.22Å; Q1098-Q1101 PolarHBondContact O-N 3.38Å; Q1098-M1102 HydrophobicContact CB-CE 4.37Å; Q1098-M1102 WeakPolarHBondContact O-CE 3.24Å; Q1098-M1102 WeakPolarHBondContact O-CG 3.5Å; Q1098-M1102 PolarHBondContact O-N 3.49Å
1099M83.9Confident80.7Confident34 Ų3467 Ų6717%0.16734%0.338CS..Hα-helixtrans-64.5-39.3175.6-71-176.1-136.700112.2Q1095 V1096 Q1101 M1102 Q1103 V1104 P1106 L1109Q1095-M1099 HydrophobicContact CB-CE 4.39Å; Q1095-M1099 WeakPolarHBondContact O-CG 3.4Å; Q1095-M1099 PolarHBondContact O-N 3.27Å; V1096-M1099 PolarHBondContact O-N 3.07Å; M1099-Q1101 PolarHBondContact O-N 2.88Å; M1099-M1102 HydrophobicContact CG-CE 4.28Å; M1099-M1102 CarbonylContact O-C 3.53Å; M1099-M1102 PolarHBondContact O-N 3.38Å; M1099-M1102 VanDerWaalsContact O-N 3.15Å; M1099-Q1103 PolarHBondContact O-N 3.27Å; M1099-V1104 CarbonylContact C-O 3.54Å; M1099-V1104 HydrophobicContact CB-CB 4.47Å; M1099-V1104 PolarHBondContact O-N 2.99Å; M1099-P1106 HydrophobicContact CB-CB 4.22Å; M1099-P1106 HydrophobicContact SD-CB 3.84Å; M1099-L1109 HydrophobicContact CE-CB 3.72Å; M1099-L1109 HydrophobicContact CE-CD1 3.65Å; M1099-L1109 HydrophobicContact CE-CD2 3.73Å; M1099-L1109 HydrophobicContact CE-CG 3.87Å; M1099-L1109 HydrophobicContact SD-CB 4.39Å
1100E84.9Confident80.6Confident65 Ų6564 Ų6430%0.30431%0.313SS..Hα-helixtrans-61.6-42.6174.6-175.1173-179.900111.9S928 N931 V1096 M1097 Q1098 M1102 Q1103S928-E1100 WeakPolarHBondContact CB-OE1 3.42Å; S928-E1100 PolarHBondContact N-OE2 2.94Å; S928-E1100 VanDerWaalsContact OG-CD 3.28Å; S928-E1100 PolarHBondContact OG-OE1 2.95Å; S928-E1100 PolarHBondContact OG-OE2 2.91Å; N931-E1100 PolarHBondContact ND2-OE2 3.44Å; V1096-E1100 WeakPolarHBondContact O-CB 3.24Å; V1096-E1100 PolarHBondContact O-N 3.32Å; M1097-E1100 PolarHBondContact O-N 3.48Å; Q1098-E1100 VanDerWaalsContact C-N 3.33Å; Q1098-E1100 PolarHBondContact O-N 3.22Å; E1100-M1102 VanDerWaalsContact C-N 3.29Å; E1100-M1102 PolarHBondContact O-N 3.49Å; E1100-Q1103 PolarHBondContact O-N 3.03Å
1101Q82.5Confident80.6Confident145 Ų14571.9 Ų71.968%0.67834%0.338SS*.Hα-helixtrans-63.7-34.1173.7-72.9176.9-10.100112.5M1097 Q1098 M1099 Q1103M1097-Q1101 WeakPolarHBondContact O-CG 3.34Å; M1097-Q1101 PolarHBondContact O-N 3.49Å; Q1098-Q1101 PolarHBondContact O-N 3.38Å; M1099-Q1101 PolarHBondContact O-N 2.88Å; Q1101-Q1103 PolarHBondContact O-N 3.42Å
1102M85.1Confident80.1Confident123 Ų12373.2 Ų73.261%0.60635%0.352SS*.THydrogen-bonded Turntrans-80.2-0.3173.6-66.9-174.5-72.800113.4Q1098 M1099 E1100 V1104Q1098-M1102 HydrophobicContact CB-CE 4.37Å; Q1098-M1102 WeakPolarHBondContact O-CE 3.24Å; Q1098-M1102 WeakPolarHBondContact O-CG 3.5Å; Q1098-M1102 PolarHBondContact O-N 3.49Å; M1099-M1102 HydrophobicContact CG-CE 4.28Å; M1099-M1102 CarbonylContact O-C 3.53Å; M1099-M1102 PolarHBondContact O-N 3.38Å; M1099-M1102 VanDerWaalsContact O-N 3.15Å; E1100-M1102 VanDerWaalsContact C-N 3.29Å; E1100-M1102 PolarHBondContact O-N 3.49Å; M1102-V1104 HydrophobicContact CB-CG2 4Å; M1102-V1104 PolarHBondContact O-N 2.78Å
1103Q83.3Confident79.4Confident188 Ų18874 Ų7488%0.87936%0.362SS*.THydrogen-bonded Turntrans55.229.7-172.9-58.4-175-28.500113.9M1099 E1100 Q1101M1099-Q1103 PolarHBondContact O-N 3.27Å; E1100-Q1103 PolarHBondContact O-N 3.03Å; Q1101-Q1103 PolarHBondContact O-N 3.42Å
1104V83.5Confident78.4Confident82 Ų8277.4 Ų77.450%0.49738%0.38SS..  trans-100135177.2179.30000109.9M1099 M1102 P1106M1099-V1104 CarbonylContact C-O 3.54Å; M1099-V1104 HydrophobicContact CB-CB 4.47Å; M1099-V1104 PolarHBondContact O-N 2.99Å; M1102-V1104 HydrophobicContact CB-CG2 4Å; M1102-V1104 PolarHBondContact O-N 2.78Å; V1104-P1106 WeakPolarHBondContact O-CD 3.32Å
1105D80Confident76.6Confident108 Ų10885.5 Ų85.558%0.57841%0.409SS*.  trans-67.8118.9179.2-116.7-17.1000111.3K934 G1107K934-D1105 IonicContact NZ-OD1 2.91Å; K934-D1105 PolarHBondContact NZ-OD1 2.89Å; K934-D1105 IonicContact NZ-OD2 3.68Å; K934-D1105 PolarHBondContact NZ-OD2 3.33Å; D1105-G1107 PolarHBondContact O-N 3.5Å; D1105-G1107 VanDerWaalsContact O-N 3.13Å
1106P78.6Confident74.8Confident2 Ų286.6 Ų86.61%0.01342%0.421CS..THydrogen-bonded Turntrans-78.41.3-171.530.2-34.3000114.4Y935 V1096 M1099 V1104 R1108 L1109 I1110Y935-P1106 HydrophobicContact CD2-CG 4.03Å; Y935-P1106 HydrophobicContact CE2-CG 3.44Å; Y935-P1106 VanDerWaalsContact CE2-CG 3.44Å; V1096-P1106 HydrophobicContact CB-CB 4.45Å; V1096-P1106 HydrophobicContact CG1-CB 4.19Å; V1096-P1106 HydrophobicContact CG1-CG 4.04Å; V1096-P1106 HydrophobicContact CG2-CB 3.99Å; M1099-P1106 HydrophobicContact CB-CB 4.22Å; M1099-P1106 HydrophobicContact SD-CB 3.84Å; V1104-P1106 WeakPolarHBondContact O-CD 3.32Å; P1106-R1108 PolarHBondContact O-N 3.36Å; P1106-R1108 VanDerWaalsContact O-N 3.09Å; P1106-L1109 PolarHBondContact O-N 2.63Å; P1106-L1109 VanDerWaalsContact O-N 3.14Å; P1106-I1110 HydrophobicContact CB-CD1 4.34Å; P1106-I1110 PolarHBondContact O-N 2.83Å
1107G78Confident72.6Confident7 Ų797.2 Ų97.27%0.07247%0.467CS..Hα-helixtrans-64.3-18-170.700000116.2Y935 D1105 R1111Y935-G1107 WeakPolarHBondContact OH-CA 3.15Å; Y935-G1107 PolarHBondContact OH-N 2.82Å; Y935-G1107 VanDerWaalsContact OH-N 3.15Å; D1105-G1107 PolarHBondContact O-N 3.5Å; D1105-G1107 VanDerWaalsContact O-N 3.13Å; G1107-R1111 WeakPolarHBondContact O-CB 3.19Å; G1107-R1111 WeakPolarHBondContact O-CG 3.23Å; G1107-R1111 PolarHBondContact O-N 2.86Å; G1107-R1111 PolarHBondContact O-NE 3.3Å; G1107-R1111 VanDerWaalsContact O-NE 3.1Å
1108R76.5Confident70.6Confident218 Ų21897.7 Ų97.782%0.82347%0.474SS*.Hα-helixtrans-74.4-42.7173.8-72-174.8-177.9-179.91.6111.7P1106 R1111 A1112P1106-R1108 PolarHBondContact O-N 3.36Å; P1106-R1108 VanDerWaalsContact O-N 3.09Å; R1108-R1111 PolarHBondContact O-N 3.27Å; R1108-A1112 PolarHBondContact O-N 3.48Å
1109L76.8Confident68.6Low49 Ų49100.9 Ų100.926%0.25750%0.498SS..Hα-helixtrans-64.3-45-179.8-177.1102.5000111L1092 Q1095 V1096 M1099 P1106 R1111 A1112 S1113L1092-L1109 HydrophobicContact CD1-CD2 3.55Å; Q1095-L1109 HydrophobicContact CB-CD2 3.9Å; V1096-L1109 HydrophobicContact CG2-CD2 4.47Å; M1099-L1109 HydrophobicContact CE-CB 3.72Å; M1099-L1109 HydrophobicContact CE-CD1 3.65Å; M1099-L1109 HydrophobicContact CE-CD2 3.73Å; M1099-L1109 HydrophobicContact CE-CG 3.87Å; M1099-L1109 HydrophobicContact SD-CB 4.39Å; P1106-L1109 PolarHBondContact O-N 2.63Å; P1106-L1109 VanDerWaalsContact O-N 3.14Å; L1109-R1111 PolarHBondContact O-N 2.99Å; L1109-A1112 WeakPolarHBondContact O-CB 3.45Å; L1109-A1112 PolarHBondContact O-N 3.05Å; L1109-A1112 VanDerWaalsContact O-N 3.09Å; L1109-S1113 PolarHBondContact O-N 2.96Å
1110I72.7Confident66.9Low3 Ų3105.7 Ų105.72%0.01552%0.524CS..Hα-helixtrans-67.2-39.5-178-62.1167.6000110.7Y935 E937 L1092 V1096 P1106 A1112 S1113 I1114Y935-I1110 HydrophobicContact CD1-CB 4.35Å; Y935-I1110 HydrophobicContact CD1-CD1 3.29Å; Y935-I1110 HydrophobicContact CD1-CG1 4.4Å; Y935-I1110 HydrophobicContact CD1-CG2 4.22Å; Y935-I1110 HydrophobicContact CD2-CD1 3.73Å; Y935-I1110 HydrophobicContact CE1-CD1 3.82Å; Y935-I1110 HydrophobicContact CE2-CD1 4.23Å; Y935-I1110 HydrophobicContact CG-CD1 3.22Å; E937-I1110 HydrophobicContact CB-CG2 4.44Å; E937-I1110 HydrophobicContact CG-CG2 4.38Å; L1092-I1110 HydrophobicContact CD1-CG1 4.44Å; V1096-I1110 HydrophobicContact CG2-CD1 3.96Å; V1096-I1110 HydrophobicContact CG2-CG1 4.28Å; P1106-I1110 HydrophobicContact CB-CD1 4.34Å; P1106-I1110 PolarHBondContact O-N 2.83Å; I1110-A1112 VanDerWaalsContact C-N 3.29Å; I1110-A1112 PolarHBondContact O-N 2.9Å; I1110-S1113 WeakPolarHBondContact CA-OG 3.19Å; I1110-S1113 PolarHBondContact O-N 3.18Å; I1110-S1113 PolarHBondContact O-OG 2.7Å; I1110-I1114 HydrophobicContact CG2-CD1 3.85Å; I1110-I1114 WeakPolarHBondContact O-CD1 3.1Å; I1110-I1114 WeakPolarHBondContact O-CG1 3.31Å; I1110-I1114 PolarHBondContact O-N 3.48Å
1111R70.8Confident65.1Low179 Ų179108.6 Ų108.668%0.67553%0.532SS*.Hα-helixtrans-62.6-35.1172-82.3-174.2-88.4-174.2-11.4112.8G1107 R1108 L1109 I1114G1107-R1111 WeakPolarHBondContact O-CB 3.19Å; G1107-R1111 WeakPolarHBondContact O-CG 3.23Å; G1107-R1111 PolarHBondContact O-N 2.86Å; G1107-R1111 PolarHBondContact O-NE 3.3Å; G1107-R1111 VanDerWaalsContact O-NE 3.1Å; R1108-R1111 PolarHBondContact O-N 3.27Å; L1109-R1111 PolarHBondContact O-N 2.99Å; R1111-I1114 PolarHBondContact O-N 3.42Å
1112A65.7Low63.4Low65 Ų65105.3 Ų105.354%0.53753%0.526SS..Hα-helixtrans-68.4-39.1174.900000111.8R1108 L1109 I1110 I1114 R1115R1108-A1112 PolarHBondContact O-N 3.48Å; L1109-A1112 WeakPolarHBondContact O-CB 3.45Å; L1109-A1112 PolarHBondContact O-N 3.05Å; L1109-A1112 VanDerWaalsContact O-N 3.09Å; I1110-A1112 VanDerWaalsContact C-N 3.29Å; I1110-A1112 PolarHBondContact O-N 2.9Å; A1112-I1114 VanDerWaalsContact C-N 3.3Å; A1112-I1114 PolarHBondContact O-N 3.4Å; A1112-R1115 PolarHBondContact O-N 3.49Å
1113S65.4Low61.7Low70 Ų70101.3 Ų101.349%0.4951%0.512SS..Hα-helixtrans-70.1-24.717761.90000113.7L1109 I1110L1109-S1113 PolarHBondContact O-N 2.96Å; I1110-S1113 WeakPolarHBondContact CA-OG 3.19Å; I1110-S1113 PolarHBondContact O-N 3.18Å; I1110-S1113 PolarHBondContact O-OG 2.7Å
1114I61Low59.9Low85 Ų8595.4 Ų95.444%0.43648%0.484SS..Hα-helixtrans-77.8-21.9-179.7-69162.4000112.6E937 I1110 R1111 A1112 P1116E937-I1114 HydrophobicContact CG-CD1 4Å; E937-I1114 HydrophobicContact CG-CG1 4.35Å; I1110-I1114 HydrophobicContact CG2-CD1 3.85Å; I1110-I1114 WeakPolarHBondContact O-CD1 3.1Å; I1110-I1114 WeakPolarHBondContact O-CG1 3.31Å; I1110-I1114 PolarHBondContact O-N 3.48Å; R1111-I1114 PolarHBondContact O-N 3.42Å; A1112-I1114 VanDerWaalsContact C-N 3.3Å; A1112-I1114 PolarHBondContact O-N 3.4Å; I1114-P1116 WeakPolarHBondContact O-CD 3.22Å
1115R45.3Very low58.3Low211 Ų21193.7 Ų93.780%0.79647%0.474SS*.  trans-53.2109.8-173-82.5-169.9177.9-175.20111.1A1112A1112-R1115 PolarHBondContact O-N 3.49Å
1116P44.1Very low56.9Low87 Ų8795.9 Ų95.957%0.56547%0.474SS*.  trans-72.2138.4179.229.4-31.8000108.7I1114 S1118I1114-P1116 WeakPolarHBondContact O-CD 3.22Å; P1116-S1118 PolarHBondContact O-N 3.49Å
1117K39.9Very low55.6Low223 Ų223100.7 Ų100.797%0.9750%0.498SS*.SBendtrans-6421.1172.8-88.7-176.4172.8-179.20114.1
1118S41.5Very low54Low37 Ų37102.4 Ų102.426%0.25951%0.505SS..  trans-120.783.7-161.467.90000114.3P1116 R1121P1116-S1118 PolarHBondContact O-N 3.49Å; S1118-R1121 VanDerWaalsContact OG-CD 3.31Å; S1118-R1121 WeakPolarHBondContact OG-CD 3.44Å
1119T41.8Very low52.7Low137 Ų13798.3 Ų98.384%0.8449%0.49SS*.SBendtrans-79.2-8.4161.1-29.90000111.8
1120D47.9Very low51.2Low135 Ų135105.1 Ų105.172%0.72251%0.512SS*.SBendtrans-90.2-14.2178.8-84.2-31000115.7S1122 A1123D1120-S1122 PolarHBondContact O-N 2.85Å; D1120-A1123 PolarHBondContact O-N 2.92Å
1121R47.3Very low49.8Very low126 Ų126109.5 Ų109.548%0.47554%0.543SS..Hα-helixtrans-68-31.4-171.4-86.1-179.1-174.6176.1-10.6114.3S1118S1118-R1121 VanDerWaalsContact OG-CD 3.31Å; S1118-R1121 WeakPolarHBondContact OG-CD 3.44Å
1122S47Very low48.5Very low76 Ų76106 Ų10653%0.53154%0.536SS..Hα-helixtrans-82.6-22.1-179.465.60000113.7D1120 R1126D1120-S1122 PolarHBondContact O-N 2.85Å; S1122-R1126 PolarHBondContact O-N 2.97Å
1123A48.7Very low47.3Very low40 Ų40105.8 Ų105.833%0.33154%0.539SS..Hα-helixtrans-71.7-43.3178.600000111.1D1120 R1126 I1127D1120-A1123 PolarHBondContact O-N 2.92Å; A1123-R1126 CarbonylContact O-C 3.56Å; A1123-R1126 WeakPolarHBondContact O-CA 3.45Å; A1123-R1126 VanDerWaalsContact O-CB 3.31Å; A1123-R1126 WeakPolarHBondContact O-CB 3.48Å; A1123-R1126 PolarHBondContact O-N 3.5Å; A1123-R1126 VanDerWaalsContact O-N 3.11Å; A1123-I1127 VanDerWaalsContact O-CG1 3.27Å; A1123-I1127 WeakPolarHBondContact O-CG1 3.4Å; A1123-I1127 PolarHBondContact O-N 3.36Å
1124F45.9Very low46Very low63 Ų63105.1 Ų105.128%0.27654%0.535SS..Hα-helixtrans-66.1-42.9-179.3-176.8-92.6000113.4R744 R1126 I1127 M1128R744-F1124 VanDerWaalsContact NH2-CB 3.3Å; F1124-R1126 PolarHBondContact O-N 2.79Å; F1124-I1127 CarbonylContact O-C 3.56Å; F1124-I1127 PolarHBondContact O-N 3.4Å; F1124-M1128 HydrophobicContact CE1-CB 4.29Å; F1124-M1128 HydrophobicContact CE1-CE 4.17Å; F1124-M1128 HydrophobicContact CE1-CG 4.49Å; F1124-M1128 HydrophobicContact CE1-SD 4.16Å; F1124-M1128 HydrophobicContact CZ-CE 4.32Å; F1124-M1128 PolarHBondContact O-N 3.43Å
1125V50.5Low44.9Very low47 Ų47108.8 Ų108.829%0.28555%0.55SS..Hα-helixtrans-58.3-33.3174.4176.70000110.4R1129V1125-R1129 WeakPolarHBondContact O-CB 3.23Å; V1125-R1129 WeakPolarHBondContact O-CD 3.45Å; V1125-R1129 WeakPolarHBondContact O-CG 3.42Å; V1125-R1129 PolarHBondContact O-N 3.3Å; V1125-R1129 VanDerWaalsContact O-N 3.14Å
1126R49.8Very low44.5Very low153 Ų153103 Ų10358%0.57755%0.547SS*.Hα-helixtrans-74.6-34.5174.8-147-178.7-66.4161.9-1.8112.8S1122 A1123 F1124 R1130S1122-R1126 PolarHBondContact O-N 2.97Å; A1123-R1126 CarbonylContact O-C 3.56Å; A1123-R1126 WeakPolarHBondContact O-CA 3.45Å; A1123-R1126 VanDerWaalsContact O-CB 3.31Å; A1123-R1126 WeakPolarHBondContact O-CB 3.48Å; A1123-R1126 PolarHBondContact O-N 3.5Å; A1123-R1126 VanDerWaalsContact O-N 3.11Å; F1124-R1126 PolarHBondContact O-N 2.79Å; R1126-R1130 WeakPolarHBondContact O-CB 3.49Å; R1126-R1130 VanDerWaalsContact O-CG 3.3Å; R1126-R1130 WeakPolarHBondContact O-CG 3.16Å; R1126-R1130 PolarHBondContact O-N 2.98Å; R1126-R1130 VanDerWaalsContact O-N 3.11Å
1127I50.7Low44.1Very low104 Ų104105 Ų10553%0.53355%0.552SS.*Hα-helixtrans-72.3-46.2177.6-68.4165.8000110.7A1123 F1124 R1130 S1131A1123-I1127 VanDerWaalsContact O-CG1 3.27Å; A1123-I1127 WeakPolarHBondContact O-CG1 3.4Å; A1123-I1127 PolarHBondContact O-N 3.36Å; F1124-I1127 CarbonylContact O-C 3.56Å; F1124-I1127 PolarHBondContact O-N 3.4Å; I1127-R1130 CarbonylContact O-C 3.58Å; I1127-R1130 PolarHBondContact O-N 3.02Å; I1127-S1131 WeakPolarHBondContact O-CB 3.34Å; I1127-S1131 PolarHBondContact O-N 3.34Å
1128M45Very low44Very low42 Ų42101.8 Ų101.821%0.20755%0.545CS..Hα-helixtrans-63.7-43.4176.4-155.9-165.3-137.500110.7D740 F751 F1124 R1130 S1131 M1132D740-M1128 HydrophobicContact CB-CE 3.75Å; F751-M1128 HydrophobicContact CZ-SD 4.5Å; F1124-M1128 HydrophobicContact CE1-CB 4.29Å; F1124-M1128 HydrophobicContact CE1-CE 4.17Å; F1124-M1128 HydrophobicContact CE1-CG 4.49Å; F1124-M1128 HydrophobicContact CE1-SD 4.16Å; F1124-M1128 HydrophobicContact CZ-CE 4.32Å; F1124-M1128 PolarHBondContact O-N 3.43Å; M1128-R1130 PolarHBondContact O-N 3.49Å; M1128-S1131 PolarHBondContact O-N 2.89Å; M1128-M1132 PolarHBondContact O-N 3.01Å; M1128-M1132 VanDerWaalsContact O-N 3.14Å
1129R48.7Very low43.8Very low133 Ų133107.4 Ų107.450%0.50257%0.572SS.*Hα-helixtrans-60.1-26171.4-79.1178.4-175-178.23.8113.8V1125V1125-R1129 WeakPolarHBondContact O-CB 3.23Å; V1125-R1129 WeakPolarHBondContact O-CD 3.45Å; V1125-R1129 WeakPolarHBondContact O-CG 3.42Å; V1125-R1129 PolarHBondContact O-N 3.3Å; V1125-R1129 VanDerWaalsContact O-N 3.14Å
1130R45.3Very low43.6Very low191 Ų191107.8 Ų107.872%0.72157%0.568SS**Hα-helixtrans-90.1-31.3176.6-81179.3170-173.4-4112.8R1126 I1127 M1128R1126-R1130 WeakPolarHBondContact O-CB 3.49Å; R1126-R1130 VanDerWaalsContact O-CG 3.3Å; R1126-R1130 WeakPolarHBondContact O-CG 3.16Å; R1126-R1130 PolarHBondContact O-N 2.98Å; R1126-R1130 VanDerWaalsContact O-N 3.11Å; I1127-R1130 CarbonylContact O-C 3.58Å; I1127-R1130 PolarHBondContact O-N 3.02Å; M1128-R1130 PolarHBondContact O-N 3.49Å
1131S44.1Very low42.9Very low96 Ų96106.8 Ų106.867%0.67157%0.571SS**Hα-helixtrans-69.3-36.7179.4-174.20000112.1I1127 M1128I1127-S1131 WeakPolarHBondContact O-CB 3.34Å; I1127-S1131 PolarHBondContact O-N 3.34Å; M1128-S1131 PolarHBondContact O-N 2.89Å
1132M43.7Very low42.3Very low106 Ų106109.1 Ų109.152%0.52259%0.592SS.*SBendtrans-83.6-22.3179.8-71.8-179.467.800114M1128M1128-M1132 PolarHBondContact O-N 3.01Å; M1128-M1132 VanDerWaalsContact O-N 3.14Å
1133G39.6Very low41.4Very low59 Ų59109.6 Ų109.661%0.60861%0.608SS**SBendtrans-94.99.7-173.700000116.5
1134S37.7Very low40.8Very low57 Ų57112.3 Ų112.340%0.39963%0.631SS.*  trans-137.565.9-172.7-170.80000113.6A1136S1134-A1136 PolarHBondContact O-N 3.33Å
1135Q38Very low40Very low162 Ų162114.9 Ų114.976%0.75766%0.657SS**THydrogen-bonded Turntrans-70.91.6164.5-82-172.5-17.800113.9
1136A37.8Very low39.1Very low89 Ų89119.5 Ų119.574%0.73669%0.685SS**THydrogen-bonded Turntrans-91-6.2-178.800000115.1S1134S1134-A1136 PolarHBondContact O-N 3.33Å
1137L36Very low38.2Very low128 Ų128122.9 Ų122.967%0.6770%0.697SS**SBendtrans-116.6-3.6-171.7-119.9146.8000115
1138L36.9Very low37.1Very low157 Ų157123.5 Ų123.582%0.82271%0.706SS**G310 helixtrans-86.7-9.9178.8-133.794.6000114.2L1140L1138-L1140 VanDerWaalsContact C-N 3.26Å; L1138-L1140 PolarHBondContact O-N 2.83Å
1139N38.2Very low36.4Very low155 Ų155128.5 Ų128.583%0.82973%0.733SS**G310 helixtrans-84.410.9180-77.2-16.2000114.4
1140L37.9Very low35.4Very low145 Ų145128.4 Ų128.476%0.75975%0.748SS**G310 helixtrans-117.4-3.4-171.2-119.8137.5000115.4L1138L1138-L1140 VanDerWaalsContact C-N 3.26Å; L1138-L1140 PolarHBondContact O-N 2.83Å
1141C33Very low34.7Very low114 Ų114124 Ų12477%0.7775%0.752SS**SBendtrans-128.2-4.4-171.5-80.90000118.7
1142L33.7Very low33.9Very low175 Ų175125 Ų12592%0.91676%0.759SS**  trans-13993.5179.3-77.5164.3000112.2
1143G28.9Very low33.3Very low85 Ų85125.7 Ų125.788%0.87677%0.772SS**  trans-79.8118.616300000110.6
1144A34.7Very low32.8Very low98 Ų98129.1 Ų129.181%0.8178%0.781SS**  trans-174.1100.9147.900000110.3
1145S29.4Very low32.4Very low117 Ų117130.7 Ų130.782%0.81879%0.79SS**  trans-6.4114.2151.3163.50000117.9
1146V32.4Very low31.9Very low144 Ų144129.5 Ų129.587%0.87379%0.787SS**  trans-149.7137.1130.9177.80000109.9
1147R31.1Very low31.5Very low224 Ų224131.1 Ų131.185%0.84579%0.788SS**  trans-73.3131.8-171.2-84.2170.7166.8167.3-5.4115.5
1148T27.7Very low31Very low116 Ų116129.5 Ų129.571%0.71278%0.78SS**  trans36.9115.9130.663.40000120.8
1149N30.4Very low30.6Very low147 Ų147126.4 Ų126.479%0.78677%0.772SS**  -171117.9109.6-95.4-9.6000113.4
1150T27.2Very low30.3Very low131 Ų131127 Ų12780%0.80476%0.762SS**  trans49.491.2138.661.30000120.6
1151A30.4Very low30.1Very low98 Ų98128 Ų12881%0.8176%0.763SS**  trans178.3117.1131.700000108.1P1153A1151-P1153 WeakPolarHBondContact O-CD 3.39Å
1152S27.3Very low30.8Very low118 Ų118126.5 Ų126.583%0.82575%0.75SS**PPolyproline II helixtrans-71.3122.717948.40000111.6
1153P31.5Very low31.7Very low121 Ų121122.4 Ų122.479%0.78673%0.73SS**PPolyproline II helixtrans-88.3121.5162.123.6-9.1000109A1151A1151-P1153 WeakPolarHBondContact O-CD 3.39Å
1154T28.2Very low33.3Very low130 Ų130119.3 Ų119.380%0.79869%0.692SS**PPolyproline II helixtrans-61.2132.2170.439.50000110.5
1155P29.4Very low34.6Very low90 Ų90114.8 Ų114.858%0.58466%0.655SS**PPolyproline II helixtrans-70139.7179.328.9-32.1000110.8T1157P1155-T1157 PolarHBondContact O-N 3.13Å
1156I28.7Very low36.7Very low138 Ų138109.8 Ų109.871%0.70862%0.618SS**PPolyproline II helixtrans-50.7118.9175.4-64.8161.4000109.2D1158I1156-D1158 PolarHBondContact O-N 3.01Å; I1156-D1158 VanDerWaalsContact O-N 3.07Å
1157T28Very low38.3Very low122 Ų122103.1 Ų103.175%0.74858%0.578SS**  trans-61105.6177.1400000110.5P1155 S1159P1155-T1157 PolarHBondContact O-N 3.13Å; T1157-S1159 VanDerWaalsContact C-N 3.26Å; T1157-S1159 PolarHBondContact O-N 3.37Å
1158D26.5Very low40.2Very low94 Ų9493 Ų9350%0.50354%0.54SS..  trans-63.291.3157.3-155.29.6000106.3I1156 R1160I1156-D1158 PolarHBondContact O-N 3.01Å; I1156-D1158 VanDerWaalsContact O-N 3.07Å; D1158-R1160 PolarHBondContact O-N 2.92Å
1159S28.9Very low42Very low92 Ų9287.6 Ų87.664%0.64351%0.507SS*.  trans-73.361.917550.50000110.1T1157T1157-S1159 VanDerWaalsContact C-N 3.26Å; T1157-S1159 PolarHBondContact O-N 3.37Å
1160R30.7Very low43.9Very low169 Ų16981.1 Ų81.164%0.63847%0.473SS*.  trans-88.431.3151.6-75.9-168.9-178.8164.28.9111.3D1158 T1162D1158-R1160 PolarHBondContact O-N 2.92Å; R1160-T1162 PolarHBondContact O-N 3.28Å
1161Q34Very low45.7Very low166 Ų16677.2 Ų77.278%0.77645%0.445SS*.  trans-69.396144.1-83-178-21.400104.8D1163Q1161-D1163 VanDerWaalsContact C-N 3.3Å; Q1161-D1163 PolarHBondContact O-N 2.99Å
1162T47.2Very low47.1Very low81 Ų8175 Ų7550%0.49742%0.418SS..  trans-54.698.2171.639.20000107.2R1160 H1164R1160-T1162 PolarHBondContact O-N 3.28Å; T1162-H1164 PolarHBondContact O-CD2 3.29Å; T1162-H1164 PolarHBondContact O-N 3.22Å; T1162-H1164 PolarHBondContact O-NE2 2.69Å; T1162-H1164 PolarHBondContact OG1-CE1 3.12Å; T1162-H1164 VanDerWaalsContact OG1-CE1 3.31Å; T1162-H1164 PolarHBondContact OG1-NE2 3.27Å
1163D53.3Low48.7Very low90 Ų9076.8 Ų76.848%0.48141%0.413SS..  trans-64.7105.7172.4-123.5-14.9000106.1Q1161 G1165Q1161-D1163 VanDerWaalsContact C-N 3.3Å; Q1161-D1163 PolarHBondContact O-N 2.99Å; D1163-G1165 PolarHBondContact O-N 3.42Å
1164H62.5Low50Low20 Ų2072.1 Ų72.19%0.09339%0.387CS..  trans-79.542.3-174-58.6-89.8000112D586 L607 A611 T617 T1162 Y1166D586-H1164 VanDerWaalsContact OD2-CB 3.25Å; D586-H1164 WeakPolarHBondContact OD2-CB 3.43Å; D586-H1164 IonicContact OD2-CD2 3.95Å; D586-H1164 PolarHBondContact OD2-CD2 2.97Å; D586-H1164 IonicContact OD2-CG 2.88Å; L607-H1164 HydrophobicContact CB-CB 3.93Å; A611-H1164 VanDerWaalsContact CB-C 3.41Å; T617-H1164 PolarHBondContact OG1-O 3.43Å; T1162-H1164 PolarHBondContact O-CD2 3.29Å; T1162-H1164 PolarHBondContact O-N 3.22Å; T1162-H1164 PolarHBondContact O-NE2 2.69Å; T1162-H1164 PolarHBondContact OG1-CE1 3.12Å; T1162-H1164 VanDerWaalsContact OG1-CE1 3.31Å; T1162-H1164 PolarHBondContact OG1-NE2 3.27Å; H1164-Y1166 PolarHBondContact O-N 2.83Å
1165G62.6Low51.9Low3 Ų367.2 Ų67.23%0.03136%0.359CS..SBendtrans78.113.817200000115.1R616 T617 N705 D1163 A1167R616-G1165 WeakPolarHBondContact CA-O 3.45Å; T617-G1165 PolarHBondContact N-O 3.2Å; T617-G1165 VanDerWaalsContact N-O 3.07Å; T617-G1165 VanDerWaalsContact OG1-C 3.23Å; T617-G1165 PolarHBondContact OG1-O 3.5Å; N705-G1165 PolarHBondContact ND2-O 2.98Å; D1163-G1165 PolarHBondContact O-N 3.42Å; G1165-A1167 PolarHBondContact O-N 2.81Å
1166Y73Confident54.1Low11 Ų1163.3 Ų63.34%0.04333%0.334CS..BIsolated β-bridgetrans-61.1122.7-179.4171.8-102.5000111.3F560 K565 A585 T617 L618 E701 H1164 F1168F560-Y1166 VanDerWaalsContact CE2-OH 3.24Å; F560-Y1166 WeakPolarHBondContact CE2-OH 3.47Å; K565-Y1166 HydrophobicContact CB-CE1 4.07Å; K565-Y1166 HydrophobicContact CD-CE1 4.07Å; K565-Y1166 HydrophobicContact CG-CE1 4.3Å; K565-Y1166 PolarHBondContact O-OH 3.19Å; A585-Y1166 HydrophobicContact CB-CD1 3.68Å; A585-Y1166 HydrophobicContact CB-CD2 3.45Å; A585-Y1166 VanDerWaalsContact CB-CD2 3.45Å; A585-Y1166 HydrophobicContact CB-CE1 3.79Å; A585-Y1166 HydrophobicContact CB-CE2 3.53Å; A585-Y1166 HydrophobicContact CB-CG 3.49Å; A585-Y1166 VanDerWaalsContact CB-CG 3.49Å; A585-Y1166 VanDerWaalsContact N-CE2 3.26Å; T617-Y1166 WeakPolarHBondContact O-CD2 3.4Å; T617-Y1166 PolarHBondContact OG1-N 3.19Å; L618-Y1166 HydrophobicContact CD2-CD2 3.99Å; L618-Y1166 HydrophobicContact CD2-CE2 3.54Å; E701-Y1166 WeakPolarHBondContact CB-O 3.44Å; H1164-Y1166 PolarHBondContact O-N 2.83Å; Y1166-F1168 HydrophobicContact CE2-CB 4.15Å
1167A66.2Low56.4Low4 Ų458.6 Ų58.63%0.03331%0.313CS..  trans-149.4129.3169.400000109.1R616 E701 G1165R616-A1167 HydrophobicContact CB-CB 4.12Å; R616-A1167 HydrophobicContact CG-CB 3.9Å; E701-A1167 HydrophobicContact CB-CB 4.42Å; G1165-A1167 PolarHBondContact O-N 2.81Å
1168F70.5Confident58.9Low11 Ų1153.5 Ų53.55%0.04828%0.281CS..  trans-136.4115.5176.4-166.8-115000110D518 E519 F560 L618 Y1166 Q1170D518-F1168 HydrophobicContact CB-CD2 4.1Å; D518-F1168 HydrophobicContact CB-CE2 3.97Å; E519-F1168 HydrophobicContact CG-CE2 4.22Å; E519-F1168 HydrophobicContact CG-CZ 3.85Å; F560-F1168 HydrophobicContact CD1-CD1 4.28Å; F560-F1168 AromaticContact CD2-CD1 3.69Å; F560-F1168 HydrophobicContact CD2-CD1 3.69Å; F560-F1168 AromaticContact CD2-CE1 3.95Å; F560-F1168 HydrophobicContact CD2-CE1 3.95Å; F560-F1168 HydrophobicContact CE1-CD1 4.12Å; F560-F1168 HydrophobicContact CE2-CB 4.36Å; F560-F1168 AromaticContact CE2-CD1 3.5Å; F560-F1168 HydrophobicContact CE2-CD1 3.5Å; F560-F1168 HydrophobicContact CE2-CE1 4.24Å; F560-F1168 HydrophobicContact CE2-CG 4.31Å; F560-F1168 HydrophobicContact CG-CD1 4.08Å; F560-F1168 HydrophobicContact CG-CE1 4.1Å; F560-F1168 HydrophobicContact CZ-CB 4.32Å; F560-F1168 AromaticContact CZ-CD1 3.73Å; F560-F1168 HydrophobicContact CZ-CD1 3.73Å; L618-F1168 HydrophobicContact CD1-CD2 3.75Å; L618-F1168 HydrophobicContact CD1-CE2 3.93Å; L618-F1168 HydrophobicContact CD2-CB 4.08Å; L618-F1168 HydrophobicContact CD2-CD2 3.83Å; L618-F1168 HydrophobicContact CD2-CG 4.19Å; L618-F1168 HydrophobicContact CG-CD2 4.37Å; Y1166-F1168 HydrophobicContact CE2-CB 4.15Å; F1168-Q1170 HydrophobicContact CD1-CB 3.81Å; F1168-Q1170 HydrophobicContact CE1-CB 3.68Å; F1168-Q1170 HydrophobicContact CE1-CG 4.25Å; F1168-Q1170 PolarHBondContact O-N 3.13Å
1169S66Low61.5Low3 Ų350.7 Ų50.72%0.02127%0.269CS..  trans-85.794.9-179.6-70.50000109.8S516 D518 R616S516-S1169 WeakPolarHBondContact CB-O 3.2Å; S516-S1169 PolarHBondContact OG-O 3.03Å; D518-S1169 PolarHBondContact OD2-N 3.39Å; R616-S1169 PolarHBondContact NH1-OG 3.13Å
1170Q69.9Low64.1Low12 Ų1251.3 Ų51.36%0.05626%0.261CS..  trans-140.2140.2174-171.570.23900110.7S515 F560 K699 F1168 Q1178S515-Q1170 PolarHBondContact OG-NE2 3.36Å; F560-Q1170 HydrophobicContact CB-CG 4.31Å; F560-Q1170 HydrophobicContact CD1-CB 3.64Å; F560-Q1170 HydrophobicContact CD1-CG 3.81Å; F560-Q1170 HydrophobicContact CE1-CB 3.93Å; F560-Q1170 HydrophobicContact CG-CB 4.31Å; F560-Q1170 HydrophobicContact CG-CG 4.29Å; K699-Q1170 PolarHBondContact NZ-O 2.86Å; F1168-Q1170 HydrophobicContact CD1-CB 3.81Å; F1168-Q1170 HydrophobicContact CE1-CB 3.68Å; F1168-Q1170 HydrophobicContact CE1-CG 4.25Å; F1168-Q1170 PolarHBondContact O-N 3.13Å; Q1170-Q1178 VanDerWaalsContact CG-NE2 3.31Å; Q1170-Q1178 VanDerWaalsContact NE2-NE2 3.11Å
1171E65.7Low66.6Low48 Ų4843.5 Ų43.522%0.22423%0.232CC..  trans-78.9128.9174.5-167177.8-158.400110.4K152 L153K152-E1171 WeakPolarHBondContact CA-OE2 3.29Å; L153-E1171 PolarHBondContact N-OE2 3.31Å
1172E59.9Low69.1Low51 Ų5135.7 Ų35.724%0.23820%0.196CC..SBendtrans-96.8-27.2-172.2-64.8164.3-152.500112.9F560 S562 K699F560-E1172 HydrophobicContact CE1-CG 4.45Å; S562-E1172 WeakPolarHBondContact CA-OE1 3.16Å; S562-E1172 WeakPolarHBondContact CB-OE1 3.31Å; S562-E1172 WeakPolarHBondContact CB-OE2 3.35Å; S562-E1172 PolarHBondContact N-OE1 3.07Å; S562-E1172 PolarHBondContact N-OE2 3.28Å; S562-E1172 VanDerWaalsContact N-OE2 3.14Å; S562-E1172 VanDerWaalsContact OG-CD 3.3Å; S562-E1172 PolarHBondContact OG-OE2 3.35Å; K699-E1172 IonicContact NZ-OE1 2.71Å; K699-E1172 PolarHBondContact NZ-OE1 3.35Å
1173H60.7Low71Confident157 Ų15736.1 Ų36.173%0.72719%0.188SC*.SBendtrans-120.534.5-177.8-59.8-52.3000111.5
1174G59Low72.5Confident22 Ų2232.9 Ų32.923%0.22717%0.174CC..  trans-57.2154.217200000110.7V1176G1174-V1176 PolarHBondContact O-N 3.02Å
1175A67.4Low73.6Confident27 Ų2732.2 Ų32.222%0.22317%0.171CC..SBendtrans-55.9-26.4-178.900000113.1Q155 T205Q155-A1175 HydrophobicContact CB-CB 3.77Å; T205-A1175 HydrophobicContact CG2-CB 3.77Å
1176V75Confident74.8Confident9 Ų933.7 Ų33.76%0.05518%0.178CC..SBendtrans-130.8134.6-179.5-175.90000109M137 L153 Q155 G1174 Q1180M137-V1176 HydrophobicContact CG-CG2 4.06Å; M137-V1176 HydrophobicContact SD-CB 4.18Å; M137-V1176 HydrophobicContact SD-CG1 4.02Å; M137-V1176 HydrophobicContact SD-CG2 3.78Å; L153-V1176 HydrophobicContact CD2-CB 3.62Å; L153-V1176 HydrophobicContact CD2-CG2 4.12Å; Q155-V1176 HydrophobicContact CB-CG2 4.14Å; Q155-V1176 HydrophobicContact CG-CG2 4.15Å; G1174-V1176 PolarHBondContact O-N 3.02Å; V1176-Q1180 HydrophobicContact CG1-CB 3.4Å; V1176-Q1180 HydrophobicContact CG1-CG 4.48Å
1177S77.8Confident75.3Confident39 Ų3934.8 Ų34.827%0.27319%0.187SC..  trans-70.4157.4179.672.80000111.9D559 S1179 Q1180 L1181D559-S1177 WeakPolarHBondContact OD2-CB 3.41Å; S1177-S1179 VanDerWaalsContact C-N 3.26Å; S1177-S1179 PolarHBondContact O-N 3.44Å; S1177-S1179 PolarHBondContact OG-OG 3.24Å; S1177-Q1180 PolarHBondContact O-N 3.44Å; S1177-Q1180 VanDerWaalsContact O-N 3.09Å; S1177-Q1180 WeakPolarHBondContact OG-CB 3.21Å; S1177-Q1180 VanDerWaalsContact OG-CG 3.26Å; S1177-Q1180 WeakPolarHBondContact OG-CG 3.38Å; S1177-Q1180 PolarHBondContact OG-N 2.72Å; S1177-L1181 WeakPolarHBondContact O-CB 3.36Å; S1177-L1181 PolarHBondContact O-N 3.14Å
1178Q80.2Confident76.2Confident14 Ų1439.1 Ų39.17%0.06521%0.213CC..Hα-helixtrans-59.3-39.9179.3-62.9-178.2-36.800111.9T473 D559 Q1170 L1181 I1182T473-Q1178 HydrophobicContact CG2-CB 3.95Å; T473-Q1178 HydrophobicContact CG2-CG 4.06Å; D559-Q1178 HydrophobicContact CB-CB 4.33Å; D559-Q1178 WeakPolarHBondContact OD1-CB 3.47Å; Q1170-Q1178 VanDerWaalsContact CG-NE2 3.31Å; Q1170-Q1178 VanDerWaalsContact NE2-NE2 3.11Å; Q1178-L1181 WeakPolarHBondContact O-CB 3.48Å; Q1178-L1181 PolarHBondContact O-N 3.13Å; Q1178-I1182 WeakPolarHBondContact O-CG1 3.13Å; Q1178-I1182 PolarHBondContact O-N 2.82Å
1179S82.1Confident76.8Confident36 Ų3647.6 Ų47.625%0.25225%0.245SC..Hα-helixtrans-57.8-47.9172.7480000112.3D559 S1177 I1182 R1183D559-S1179 WeakPolarHBondContact OD1-CA 3.22Å; D559-S1179 VanDerWaalsContact OD1-CB 3.24Å; D559-S1179 WeakPolarHBondContact OD1-CB 3.41Å; D559-S1179 PolarHBondContact OD1-N 3.06Å; D559-S1179 PolarHBondContact OD1-OG 3.37Å; D559-S1179 PolarHBondContact OD2-N 2.87Å; D559-S1179 PolarHBondContact OD2-OG 2.96Å; S1177-S1179 VanDerWaalsContact C-N 3.26Å; S1177-S1179 PolarHBondContact O-N 3.44Å; S1177-S1179 PolarHBondContact OG-OG 3.24Å; S1179-I1182 PolarHBondContact O-N 2.89Å; S1179-R1183 VanDerWaalsContact O-CG 3.3Å; S1179-R1183 WeakPolarHBondContact O-CG 3.3Å; S1179-R1183 PolarHBondContact O-N 2.81Å
1180Q83.2Confident77.5Confident105 Ų10559.1 Ų59.149%0.49129%0.288SS..Hα-helixtrans-65-40.3176.7-75.1172.3-15.500112V1176 S1177 I1182 R1183 A1184V1176-Q1180 HydrophobicContact CG1-CB 3.4Å; V1176-Q1180 HydrophobicContact CG1-CG 4.48Å; S1177-Q1180 PolarHBondContact O-N 3.44Å; S1177-Q1180 VanDerWaalsContact O-N 3.09Å; S1177-Q1180 WeakPolarHBondContact OG-CB 3.21Å; S1177-Q1180 VanDerWaalsContact OG-CG 3.26Å; S1177-Q1180 WeakPolarHBondContact OG-CG 3.38Å; S1177-Q1180 PolarHBondContact OG-N 2.72Å; Q1180-I1182 PolarHBondContact O-N 3.28Å; Q1180-R1183 PolarHBondContact O-N 3.34Å; Q1180-A1184 WeakPolarHBondContact O-CB 3.1Å; Q1180-A1184 PolarHBondContact O-N 3.5Å
1181L83.1Confident78.1Confident5 Ų560.4 Ų60.43%0.02629%0.293CS..Hα-helixtrans-57.2-51.3176.2-168.975.8000110.7M137 Y139 L153 S1177 Q1178 R1183 A1184 Y1185M137-L1181 HydrophobicContact CE-CD1 4.39Å; M137-L1181 HydrophobicContact SD-CD1 3.96Å; Y139-L1181 WeakPolarHBondContact OH-CD1 3.26Å; L153-L1181 HydrophobicContact CD2-CD1 3.83Å; S1177-L1181 WeakPolarHBondContact O-CB 3.36Å; S1177-L1181 PolarHBondContact O-N 3.14Å; Q1178-L1181 WeakPolarHBondContact O-CB 3.48Å; Q1178-L1181 PolarHBondContact O-N 3.13Å; L1181-R1183 VanDerWaalsContact C-N 3.26Å; L1181-R1183 PolarHBondContact O-N 2.75Å; L1181-A1184 PolarHBondContact O-N 3.32Å; L1181-A1184 VanDerWaalsContact O-N 3.12Å; L1181-Y1185 HydrophobicContact CD1-CD2 4.2Å; L1181-Y1185 HydrophobicContact CD1-CE2 3.58Å; L1181-Y1185 HydrophobicContact CG-CD2 4.29Å; L1181-Y1185 HydrophobicContact CG-CE2 4.1Å; L1181-Y1185 WeakPolarHBondContact O-CD2 3.45Å; L1181-Y1185 PolarHBondContact O-N 3.23Å
1182I85.3Confident78.9Confident2 Ų260.3 Ų60.31%0.0130%0.297CS..Hα-helixtrans-59.9-37.8179.5-70.1170000111.5T473 I554 V557 M567 Q1178 S1179 Q1180T473-I1182 HydrophobicContact CG2-CD1 4.22Å; I554-I1182 HydrophobicContact CD1-CG2 3.89Å; V557-I1182 HydrophobicContact CB-CD1 4.31Å; V557-I1182 HydrophobicContact CG1-CD1 3.85Å; V557-I1182 HydrophobicContact CG2-CB 4.49Å; V557-I1182 HydrophobicContact CG2-CD1 3.61Å; V557-I1182 HydrophobicContact CG2-CG2 4.34Å; M567-I1182 HydrophobicContact CE-CD1 4.45Å; Q1178-I1182 WeakPolarHBondContact O-CG1 3.13Å; Q1178-I1182 PolarHBondContact O-N 2.82Å; S1179-I1182 PolarHBondContact O-N 2.89Å; Q1180-I1182 PolarHBondContact O-N 3.28Å
1183R87.8Confident79.9Confident89 Ų8962.3 Ų62.334%0.33631%0.309SS..Hα-helixtrans-77.1-19.5179.2-62.4-53.8-172.3-175.2-0.1114P538 I554 L555 S1179 Q1180 L1181P538-R1183 VanDerWaalsContact CB-O 3.31Å; P538-R1183 WeakPolarHBondContact CB-O 3.12Å; P538-R1183 WeakPolarHBondContact CG-O 3.16Å; P538-R1183 WeakPolarHBondContact O-CD 3.36Å; P538-R1183 PolarHBondContact O-NH1 3.06Å; I554-R1183 PolarHBondContact O-NH1 2.95Å; I554-R1183 PolarHBondContact O-NH2 3.39Å; I554-R1183 VanDerWaalsContact O-NH2 3.15Å; L555-R1183 PolarHBondContact O-NH2 3.09Å; S1179-R1183 VanDerWaalsContact O-CG 3.3Å; S1179-R1183 WeakPolarHBondContact O-CG 3.3Å; S1179-R1183 PolarHBondContact O-N 2.81Å; Q1180-R1183 PolarHBondContact O-N 3.34Å; L1181-R1183 VanDerWaalsContact C-N 3.26Å; L1181-R1183 PolarHBondContact O-N 2.75Å
1184A85.3Confident80.4Confident22 Ų2255 Ų5518%0.18228%0.276CS..Hα-helixtrans-83.5-30.9-178.100000113.2P134 M137 Q1180 L1181P134-A1184 HydrophobicContact CG-CB 4.25Å; P134-A1184 WeakPolarHBondContact CG-O 3.42Å; M137-A1184 HydrophobicContact CE-CB 3.69Å; Q1180-A1184 WeakPolarHBondContact O-CB 3.1Å; Q1180-A1184 PolarHBondContact O-N 3.5Å; L1181-A1184 PolarHBondContact O-N 3.32Å; L1181-A1184 VanDerWaalsContact O-N 3.12Å
1185Y85.3Confident80.8Confident7 Ų763.5 Ų63.53%0.02730%0.302CS..  trans-86.4135.3-173.6-81.7-94.1000113.4E133 M137 Y139 V475 P538 L1181E133-Y1185 VanDerWaalsContact OE2-CE1 3.22Å; E133-Y1185 WeakPolarHBondContact OE2-CE1 3.37Å; M137-Y1185 HydrophobicContact CE-CD2 4.47Å; M137-Y1185 HydrophobicContact CE-CE2 3.83Å; Y139-Y1185 VanDerWaalsContact CE2-OH 3.25Å; Y139-Y1185 WeakPolarHBondContact CE2-OH 3.31Å; Y139-Y1185 PolarHBondContact OH-OH 3.46Å; V475-Y1185 HydrophobicContact CB-CD1 4.42Å; V475-Y1185 HydrophobicContact CG1-CD1 3.74Å; V475-Y1185 HydrophobicContact CG1-CE1 4.28Å; V475-Y1185 HydrophobicContact CG1-CG 4.31Å; V475-Y1185 HydrophobicContact CG2-CD1 3.91Å; V475-Y1185 HydrophobicContact CG2-CD2 4.17Å; V475-Y1185 HydrophobicContact CG2-CE1 4.29Å; V475-Y1185 HydrophobicContact CG2-CG 3.82Å; P538-Y1185 WeakPolarHBondContact CD-O 3.42Å; L1181-Y1185 HydrophobicContact CD1-CD2 4.2Å; L1181-Y1185 HydrophobicContact CD1-CE2 3.58Å; L1181-Y1185 HydrophobicContact CG-CD2 4.29Å; L1181-Y1185 HydrophobicContact CG-CE2 4.1Å; L1181-Y1185 WeakPolarHBondContact O-CD2 3.45Å; L1181-Y1185 PolarHBondContact O-N 3.23Å
1186D87.8Confident81.5Confident34 Ų3465.4 Ų65.418%0.18231%0.306CS..  trans-132.298.8168.8-175.8-4.9000108.8T1188 R1189D1186-T1188 PolarHBondContact O-N 3.03Å; D1186-T1188 VanDerWaalsContact O-N 3.13Å; D1186-T1188 WeakPolarHBondContact OD1-CB 3.2Å; D1186-T1188 PolarHBondContact OD1-N 3.05Å; D1186-T1188 VanDerWaalsContact OD1-N 3.11Å; D1186-T1188 PolarHBondContact OD1-OG1 3.44Å; D1186-T1188 PolarHBondContact OD2-OG1 2.82Å; D1186-R1189 HydrophobicContact CB-CG 4.15Å; D1186-R1189 PolarHBondContact O-N 2.83Å; D1186-R1189 VanDerWaalsContact O-N 3.14Å; D1186-R1189 WeakPolarHBondContact OD2-CG 2.86Å; D1186-R1189 IonicContact OD2-CZ 2.89Å; D1186-R1189 IonicContact OD2-NE 3.59Å; D1186-R1189 PolarHBondContact OD2-NE 3.05Å; D1186-R1189 IonicContact OD2-NH2 2.64Å
1187S84.2Confident81.8Confident34 Ų3468.3 Ų68.324%0.23832%0.319CS..THydrogen-bonded Turntrans-66.7-9.5-17859.90000113.8T535 R536T535-S1187 WeakPolarHBondContact CG2-OG 3.46Å; R536-S1187 PolarHBondContact N-OG 2.78Å; R536-S1187 PolarHBondContact O-N 3.23Å; R536-S1187 PolarHBondContact O-OG 3.05Å
1188T83.2Confident82.1Confident94 Ų9469.9 Ų69.958%0.57732%0.321SS*.THydrogen-bonded Turntrans-81.1-19.4175.471.90000112.5T535 T537 D1186T535-T1188 HydrophobicContact CG2-CG2 3.58Å; T537-T1188 HydrophobicContact CG2-CG2 4.32Å; D1186-T1188 PolarHBondContact O-N 3.03Å; D1186-T1188 VanDerWaalsContact O-N 3.13Å; D1186-T1188 WeakPolarHBondContact OD1-CB 3.2Å; D1186-T1188 PolarHBondContact OD1-N 3.05Å; D1186-T1188 VanDerWaalsContact OD1-N 3.11Å; D1186-T1188 PolarHBondContact OD1-OG1 3.44Å; D1186-T1188 PolarHBondContact OD2-OG1 2.82Å
1189R83.4Confident82.2Confident189 Ų18973.2 Ų73.271%0.71334%0.336SS*.SBendtrans-86.9143.4-179.9-64.2-178.6-170.4-159.1-4.7111.2D1186D1186-R1189 HydrophobicContact CB-CG 4.15Å; D1186-R1189 PolarHBondContact O-N 2.83Å; D1186-R1189 VanDerWaalsContact O-N 3.14Å; D1186-R1189 WeakPolarHBondContact OD2-CG 2.86Å; D1186-R1189 IonicContact OD2-CZ 2.89Å; D1186-R1189 IonicContact OD2-NE 3.59Å; D1186-R1189 PolarHBondContact OD2-NE 3.05Å; D1186-R1189 IonicContact OD2-NH2 2.64Å
1190R80.8Confident82.2Confident245 Ų24575.6 Ų75.693%0.92534%0.342SS*.PPolyproline II helixtrans-75.7131.6171-68.1-173.5178.7-171.7-0.6109.8
1191K82.4Confident82.1Confident39 Ų3973.6 Ų73.617%0.1733%0.332CS..PPolyproline II helixtrans-66.9144.2172.8-62.5-178.6178.2-178.80110.5E133 K218 E477E133-K1191 WeakPolarHBondContact OE1-CD 3.38Å; E133-K1191 WeakPolarHBondContact OE1-CE 3.37Å; E133-K1191 IonicContact OE1-NZ 3.76Å; E133-K1191 PolarHBondContact OE1-NZ 2.87Å; E133-K1191 VanDerWaalsContact OE2-CE 3.26Å; E133-K1191 WeakPolarHBondContact OE2-CE 3.12Å; E133-K1191 IonicContact OE2-NZ 3.98Å; E133-K1191 PolarHBondContact OE2-NZ 3.18Å; K218-K1191 HydrophobicContact CD-CB 4.05Å; K218-K1191 HydrophobicContact CD-CD 4.07Å; K218-K1191 HydrophobicContact CG-CD 4.17Å; E477-K1191 IonicContact OE1-NZ 3.67Å; E477-K1191 PolarHBondContact OE1-NZ 2.74Å
1192P83.2Confident82Confident47 Ų4778.5 Ų78.531%0.30535%0.354SS..PPolyproline II helixtrans-64.4146177.127.8-35.4000112.2S132 W219S132-P1192 VanDerWaalsContact O-CD 3.29Å; S132-P1192 WeakPolarHBondContact O-CD 3.19Å; W219-P1192 HydrophobicContact CZ2-CB 4.24Å; W219-P1192 HydrophobicContact CZ2-CG 4.03Å; W219-P1192 PolarHBondContact NE1-O 3.41Å
1193D80.3Confident81.8Confident92 Ų9284.4 Ų84.449%0.49238%0.38SS..  trans-79.6-19.9-176.7-72.2-7.9000113.6W219 R1195W219-D1193 VanDerWaalsContact NE1-C 3.3Å; W219-D1193 PolarHBondContact NE1-O 3.48Å; D1193-R1195 HydrophobicContact CB-CG 3.95Å; D1193-R1195 IonicContact OD2-CZ 3.29Å; D1193-R1195 IonicContact OD2-NE 3.93Å; D1193-R1195 PolarHBondContact OD2-NE 3.31Å; D1193-R1195 IonicContact OD2-NH2 3.2Å; D1193-R1195 PolarHBondContact OD2-NH2 2.75Å
1194G72.2Confident81.3Confident3 Ų384 Ų843%0.03138%0.384CS..  trans65.747.3-179.300000113.6K115 L164K115-G1194 PolarHBondContact NZ-O 2.78Å; L164-G1194 WeakPolarHBondContact O-CA 3.41Å
1195R67.4Low80.9Confident202 Ų20289.6 Ų89.676%0.76240%0.402SS*.  trans-75.70-173.5-67.5-173.5-170.2-167.31.8112.8W100 T165 A166 D1193W100-R1195 PolarHBondContact NE1-OXT 2.74Å; T165-R1195 CarbonylContact C-O 3.51Å; T165-R1195 VanDerWaalsContact CA-O 3.28Å; T165-R1195 WeakPolarHBondContact CA-O 3.29Å; A166-R1195 PolarHBondContact N-O 3.28Å; D1193-R1195 HydrophobicContact CB-CG 3.95Å; D1193-R1195 IonicContact OD2-CZ 3.29Å; D1193-R1195 IonicContact OD2-NE 3.93Å; D1193-R1195 PolarHBondContact OD2-NE 3.31Å; D1193-R1195 IonicContact OD2-NH2 3.2Å; D1193-R1195 PolarHBondContact OD2-NH2 2.75Å

Retrieved 1,195 of 1,195 residues in 2202.2 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).