A0A077YYY6_TRITR Loading...

Dymeclin domain containing protein

AlphaFold DB , UniProt , Accession A0A077YYY6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 765 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
1M39.5Very low72.4Confident224 Ų22476.4 Ų76.4100%1.10341%0.409SS*.  0-24.70-68.2-172-169.600113.2N3 S4M1-N3 PolarHBondContact O-N 2.75Å; M1-S4 PolarHBondContact O-OG 3.29Å
2G52.7Low73.8Confident48 Ų4880.6 Ų80.650%0.49542%0.421SS..THydrogen-bonded Turntrans-78.65.6-176.700000119.2S6G2-S6 PolarHBondContact O-OG 2.66Å
3N54.3Low74.9Confident83 Ų8374.4 Ų74.444%0.44439%0.389SS..Hα-helixtrans-82.8-30.7-177.9-74.9-4.9000113.5M1 D5 S6 K42M1-N3 PolarHBondContact O-N 2.75Å; N3-D5 VanDerWaalsContact C-N 3.3Å; N3-S6 PolarHBondContact O-OG 2.94Å; N3-K42 PolarHBondContact ND2-NZ 2.98Å
4S61.3Low75.9Confident69 Ų6969.9 Ų69.948%0.48337%0.366SS..Hα-helixtrans-67-38.7173.543.30000110.6M1 L8M1-S4 PolarHBondContact O-OG 3.29Å; S4-L8 WeakPolarHBondContact O-CB 3.29Å; S4-L8 WeakPolarHBondContact O-CD1 3.33Å; S4-L8 WeakPolarHBondContact O-CG 3.43Å; S4-L8 PolarHBondContact O-N 3.37Å; S4-L8 VanDerWaalsContact O-N 3.09Å
5D76.7Confident76.7Confident84 Ų8470.1 Ų70.145%0.44937%0.371SS..Hα-helixtrans-70.7-44.2-171.2-55.4-15.2000110.9N3 R7 L8 D9N3-D5 VanDerWaalsContact C-N 3.3Å; D5-R7 PolarHBondContact O-N 3.27Å; D5-L8 CarbonylContact O-C 3.58Å; D5-L8 WeakPolarHBondContact O-CB 3.29Å; D5-L8 PolarHBondContact O-N 2.9Å; D5-L8 VanDerWaalsContact O-N 3.16Å; D5-D9 WeakPolarHBondContact O-CB 3.15Å; D5-D9 PolarHBondContact O-N 3.03Å
6S80.4Confident77.5Confident11 Ų1170 Ų708%0.07737%0.368CS..Hα-helixtrans-62.8-39.5177.846.10000114.2G2 N3 D9 F10 M39G2-S6 PolarHBondContact O-OG 2.66Å; N3-S6 PolarHBondContact O-OG 2.94Å; S6-D9 PolarHBondContact O-N 3Å; S6-F10 WeakPolarHBondContact O-CB 3.04Å; S6-F10 PolarHBondContact O-N 3.12Å; S6-M39 PolarHBondContact OG-O 2.89Å
7R82.2Confident78.1Confident94 Ų9466.1 Ų66.136%0.35535%0.347SS..Hα-helixtrans-66.9-39.1173.1-76.2-178.1174.5-168.4-2.9112D5 R11 S40 D46D5-R7 PolarHBondContact O-N 3.27Å; R7-R11 VanDerWaalsContact O-CB 3.31Å; R7-R11 WeakPolarHBondContact O-CB 3.43Å; R7-R11 PolarHBondContact O-N 2.81Å; R7-S40 WeakPolarHBondContact CG-O 3.32Å; R7-D46 IonicContact CZ-OD1 3.82Å; R7-D46 IonicContact CZ-OD2 3.81Å; R7-D46 IonicContact NE-OD2 2.71Å; R7-D46 IonicContact NH1-OD1 3.47Å; R7-D46 IonicContact NH2-OD1 3.04Å; R7-D46 PolarHBondContact NH2-OD1 3.36Å; R7-D46 IonicContact NH2-OD2 3.4Å; R7-D46 PolarHBondContact NH2-OD2 2.91Å
8L85.1Confident78.5Confident97 Ų9764.6 Ų64.651%0.50835%0.346SS..Hα-helixtrans-65.9-40.8175.8-73.2168.7000111.2S4 D5 R11 K12S4-L8 WeakPolarHBondContact O-CB 3.29Å; S4-L8 WeakPolarHBondContact O-CD1 3.33Å; S4-L8 WeakPolarHBondContact O-CG 3.43Å; S4-L8 PolarHBondContact O-N 3.37Å; S4-L8 VanDerWaalsContact O-N 3.09Å; D5-L8 CarbonylContact O-C 3.58Å; D5-L8 WeakPolarHBondContact O-CB 3.29Å; D5-L8 PolarHBondContact O-N 2.9Å; D5-L8 VanDerWaalsContact O-N 3.16Å; L8-R11 PolarHBondContact O-N 3.47Å; L8-K12 VanDerWaalsContact O-CG 3.29Å; L8-K12 WeakPolarHBondContact O-CG 3.17Å; L8-K12 PolarHBondContact O-N 3.48Å
9D86.1Confident78.8Confident61 Ų6165.2 Ų65.233%0.32636%0.356SS..Hα-helixtrans-67.8-43.5178.9-66.9-23.3000111.3D5 S6 R11 K12 A13D5-D9 WeakPolarHBondContact O-CB 3.15Å; D5-D9 PolarHBondContact O-N 3.03Å; S6-D9 PolarHBondContact O-N 3Å; D9-R11 VanDerWaalsContact C-N 3.3Å; D9-R11 PolarHBondContact O-N 2.91Å; D9-K12 PolarHBondContact O-N 3.06Å; D9-K12 IonicContact OD1-NZ 3.66Å; D9-K12 PolarHBondContact OD1-NZ 2.94Å; D9-A13 PolarHBondContact O-N 3.27Å
10F88.9Confident78.7Confident1 Ų164.5 Ų64.50%0.00435%0.349CS..Hα-helixtrans-56.1-46.2169.5-179.6-92.4000111.8S6 K12 A13 V14 F35 I41 I47 L50 I51 I101S6-F10 WeakPolarHBondContact O-CB 3.04Å; S6-F10 PolarHBondContact O-N 3.12Å; F10-K12 PolarHBondContact O-N 2.75Å; F10-A13 WeakPolarHBondContact O-CB 3.24Å; F10-A13 PolarHBondContact O-N 3.42Å; F10-V14 HydrophobicContact CD1-CG2 4.05Å; F10-V14 HydrophobicContact CE1-CG2 3.58Å; F10-V14 HydrophobicContact CZ-CG2 3.86Å; F10-V14 WeakPolarHBondContact O-CG2 3.36Å; F10-V14 PolarHBondContact O-N 2.63Å; F10-F35 HydrophobicContact CD2-CD1 4.45Å; F10-F35 HydrophobicContact CE2-CB 4.33Å; F10-F35 AromaticContact CE2-CD1 3.87Å; F10-F35 HydrophobicContact CE2-CD1 3.87Å; F10-F35 VanDerWaalsContact CE2-O 3.31Å; F10-F35 WeakPolarHBondContact CE2-O 3.41Å; F10-F35 HydrophobicContact CZ-CD1 4.41Å; F10-I41 HydrophobicContact CD2-CD1 4.19Å; F10-I41 HydrophobicContact CE1-CD1 4.48Å; F10-I41 HydrophobicContact CE2-CD1 3.7Å; F10-I41 HydrophobicContact CE2-CG1 4.42Å; F10-I41 HydrophobicContact CZ-CD1 3.86Å; F10-I41 HydrophobicContact CZ-CG1 4.5Å; F10-I47 HydrophobicContact CE1-CD1 3.85Å; F10-I47 HydrophobicContact CE2-CD1 4.47Å; F10-I47 HydrophobicContact CZ-CD1 3.46Å; F10-I47 VanDerWaalsContact CZ-CD1 3.46Å; F10-L50 HydrophobicContact CD1-CB 4.12Å; F10-L50 HydrophobicContact CD1-CD1 3.8Å; F10-L50 HydrophobicContact CD1-CG 4.43Å; F10-L50 HydrophobicContact CE1-CB 3.9Å; F10-L50 HydrophobicContact CE1-CD1 4.1Å; F10-I51 HydrophobicContact CE1-CD1 4.24Å; F10-I51 HydrophobicContact CE1-CG1 4.1Å; F10-I51 HydrophobicContact CZ-CD1 4.01Å; F10-I51 HydrophobicContact CZ-CG1 4.38Å; F10-I101 HydrophobicContact CE2-CD1 4.27Å
11R89Confident78.4Confident68 Ų6870.6 Ų70.626%0.25737%0.372SS..Hα-helixtrans-63.2-40.5179.2-174.765.1-175.2121.94.5112.1R7 L8 D9 V14 V15 L50 E55R7-R11 VanDerWaalsContact O-CB 3.31Å; R7-R11 WeakPolarHBondContact O-CB 3.43Å; R7-R11 PolarHBondContact O-N 2.81Å; L8-R11 PolarHBondContact O-N 3.47Å; D9-R11 VanDerWaalsContact C-N 3.3Å; D9-R11 PolarHBondContact O-N 2.91Å; R11-V14 PolarHBondContact O-N 2.93Å; R11-V15 WeakPolarHBondContact O-CG2 3.42Å; R11-V15 PolarHBondContact O-N 3.44Å; R11-L50 PolarHBondContact NH1-O 2.68Å; R11-E55 IonicContact CZ-OE1 3.63Å; R11-E55 IonicContact CZ-OE2 3.54Å; R11-E55 VanDerWaalsContact CZ-OE2 3.3Å; R11-E55 IonicContact NH1-OE1 2.82Å; R11-E55 IonicContact NH1-OE2 2.74Å; R11-E55 PolarHBondContact NH1-OE2 3.31Å; R11-E55 VanDerWaalsContact NH2-CD 3.27Å; R11-E55 IonicContact NH2-OE1 3.33Å; R11-E55 PolarHBondContact NH2-OE1 2.89Å; R11-E55 IonicContact NH2-OE2 3.11Å; R11-E55 PolarHBondContact NH2-OE2 3.24Å; R11-E55 VanDerWaalsContact NH2-OE2 3.11Å
12K89Confident80.2Confident127 Ų12765.3 Ų65.355%0.55236%0.355SS*.Hα-helixtrans-60.6-45.5173.5-71.7170.2-161.1156.30110.8L8 D9 F10 V14 V15 E16L8-K12 VanDerWaalsContact O-CG 3.29Å; L8-K12 WeakPolarHBondContact O-CG 3.17Å; L8-K12 PolarHBondContact O-N 3.48Å; D9-K12 PolarHBondContact O-N 3.06Å; D9-K12 IonicContact OD1-NZ 3.66Å; D9-K12 PolarHBondContact OD1-NZ 2.94Å; F10-K12 PolarHBondContact O-N 2.75Å; K12-V14 VanDerWaalsContact C-N 3.32Å; K12-V14 PolarHBondContact O-N 3.22Å; K12-V15 PolarHBondContact O-N 3.33Å; K12-E16 WeakPolarHBondContact O-CB 3.35Å; K12-E16 PolarHBondContact O-N 3.23Å
13A88.2Confident81.4Confident0 Ų065.6 Ų65.60%035%0.349CS..Hα-helixtrans-60.4-41.2177.800000111.8D9 F10 E16 L17 Q34 F35D9-A13 PolarHBondContact O-N 3.27Å; F10-A13 WeakPolarHBondContact O-CB 3.24Å; F10-A13 PolarHBondContact O-N 3.42Å; A13-E16 PolarHBondContact O-N 3.1Å; A13-L17 WeakPolarHBondContact O-CG 3.23Å; A13-L17 PolarHBondContact O-N 3.17Å; A13-Q34 HydrophobicContact CB-CB 4.13Å; A13-F35 HydrophobicContact CB-CE1 3.89Å; A13-F35 HydrophobicContact CB-CE2 4.26Å; A13-F35 HydrophobicContact CB-CZ 3.62Å
14V88.9Confident82.4Confident11 Ų1161.8 Ų61.87%0.06733%0.329CS..Hα-helixtrans-62.1-44.9174.6174.20000112F10 R11 K12 E16 L17 F35 I51F10-V14 HydrophobicContact CD1-CG2 4.05Å; F10-V14 HydrophobicContact CE1-CG2 3.58Å; F10-V14 HydrophobicContact CZ-CG2 3.86Å; F10-V14 WeakPolarHBondContact O-CG2 3.36Å; F10-V14 PolarHBondContact O-N 2.63Å; R11-V14 PolarHBondContact O-N 2.93Å; K12-V14 VanDerWaalsContact C-N 3.32Å; K12-V14 PolarHBondContact O-N 3.22Å; V14-E16 VanDerWaalsContact C-N 3.32Å; V14-L17 WeakPolarHBondContact O-CB 3.43Å; V14-L17 PolarHBondContact O-N 3Å; V14-F35 HydrophobicContact CG2-CD1 4.46Å; V14-F35 HydrophobicContact CG2-CE1 3.94Å; V14-I51 HydrophobicContact CG1-CG1 4.3Å; V14-I51 HydrophobicContact CG1-CG2 4.44Å; V14-I51 HydrophobicContact CG2-CD1 4.17Å; V14-I51 HydrophobicContact CG2-CG1 4.08Å
15V88.3Confident83.2Confident73 Ų7365 Ų6544%0.44234%0.336SS..Hα-helixtrans-67-36.2176.7174.20000111.4R11 K12 L17 A18 S19R11-V15 WeakPolarHBondContact O-CG2 3.42Å; R11-V15 PolarHBondContact O-N 3.44Å; K12-V15 PolarHBondContact O-N 3.33Å; V15-L17 VanDerWaalsContact C-N 3.34Å; V15-A18 PolarHBondContact O-N 3.22Å; V15-S19 PolarHBondContact O-N 3.27Å; V15-S19 PolarHBondContact O-OG 2.76Å
16E89.4Confident83.1Confident69 Ų6963.9 Ų63.932%0.32234%0.336SS..Hα-helixtrans-63.1-39.6175.5-166.1-177.4153.300110.6K12 A13 V14 A18 S19 K20 F31K12-E16 WeakPolarHBondContact O-CB 3.35Å; K12-E16 PolarHBondContact O-N 3.23Å; A13-E16 PolarHBondContact O-N 3.1Å; V14-E16 VanDerWaalsContact C-N 3.32Å; E16-A18 PolarHBondContact O-N 3.44Å; E16-A18 VanDerWaalsContact O-N 3.16Å; E16-S19 WeakPolarHBondContact CA-OG 3.22Å; E16-S19 PolarHBondContact O-N 3.06Å; E16-S19 PolarHBondContact O-OG 3.32Å; E16-K20 HydrophobicContact CG-CB 4.15Å; E16-K20 HydrophobicContact CG-CD 4.08Å; E16-K20 HydrophobicContact CG-CG 4.35Å; E16-K20 WeakPolarHBondContact O-CB 3.43Å; E16-K20 PolarHBondContact O-N 3.45Å; E16-K20 VanDerWaalsContact OE1-CD 3.31Å; E16-K20 WeakPolarHBondContact OE1-CD 3.48Å; E16-K20 VanDerWaalsContact OE1-CE 3.26Å; E16-K20 WeakPolarHBondContact OE1-CE 3.35Å; E16-K20 IonicContact OE1-NZ 3.12Å; E16-K20 PolarHBondContact OE1-NZ 3Å; E16-F31 HydrophobicContact CB-CE2 4.18Å; E16-F31 VanDerWaalsContact CD-CE2 3.45Å; E16-F31 HydrophobicContact CG-CE2 4.03Å
17L87.9Confident83Confident3 Ų367.1 Ų67.12%0.01636%0.358CS..Hα-helixtrans-53.9-38.9176.9-76.4169.8000113.8A13 V14 V15 F31 W32 F35 L59 N66 L70A13-L17 WeakPolarHBondContact O-CG 3.23Å; A13-L17 PolarHBondContact O-N 3.17Å; V14-L17 WeakPolarHBondContact O-CB 3.43Å; V14-L17 PolarHBondContact O-N 3Å; V15-L17 VanDerWaalsContact C-N 3.34Å; L17-F31 HydrophobicContact CD2-CE1 3.78Å; L17-F31 HydrophobicContact CD2-CZ 3.85Å; L17-F31 HydrophobicContact CG-CZ 4.15Å; L17-W32 HydrophobicContact CD2-CH2 3.9Å; L17-W32 HydrophobicContact CD2-CZ3 3.64Å; L17-F35 HydrophobicContact CD1-CD1 4.42Å; L17-F35 HydrophobicContact CD1-CE1 3.4Å; L17-F35 HydrophobicContact CD1-CE2 4.17Å; L17-F35 HydrophobicContact CD1-CZ 3.27Å; L17-F35 HydrophobicContact CD2-CE2 4.28Å; L17-F35 HydrophobicContact CD2-CZ 3.98Å; L17-F35 HydrophobicContact CG-CE1 4.11Å; L17-F35 HydrophobicContact CG-CE2 4.28Å; L17-F35 HydrophobicContact CG-CZ 3.49Å; L17-F35 VanDerWaalsContact CG-CZ 3.49Å; L17-L59 HydrophobicContact CB-CD1 3.91Å; L17-L59 HydrophobicContact CB-CD2 4.41Å; L17-L59 HydrophobicContact CD1-CD2 4.4Å; L17-N66 HydrophobicContact CD2-CB 4.17Å; L17-N66 PolarHBondContact O-ND2 3.37Å; L17-L70 HydrophobicContact CD1-CD2 3.77Å
18A84.4Confident83.1Confident40 Ų4065 Ų6533%0.33135%0.354SS..Hα-helixtrans-80.5-22.4-179.200000113.1V15 E16 L59V15-A18 PolarHBondContact O-N 3.22Å; E16-A18 PolarHBondContact O-N 3.44Å; E16-A18 VanDerWaalsContact O-N 3.16Å; A18-L59 HydrophobicContact CB-CD1 4.5Å
19S84.2Confident83Confident75 Ų7565 Ų6552%0.52436%0.355SS..Hα-helixtrans-110.7-19.6-171.556.80000114.9V15 E16 K21V15-S19 PolarHBondContact O-N 3.27Å; V15-S19 PolarHBondContact O-OG 2.76Å; E16-S19 WeakPolarHBondContact CA-OG 3.22Å; E16-S19 PolarHBondContact O-N 3.06Å; E16-S19 PolarHBondContact O-OG 3.32Å; S19-K21 PolarHBondContact O-N 3.31Å
20K76.8Confident82.9Confident52 Ų5266.1 Ų66.123%0.22637%0.367CS..  trans-63.2118-175.5-160.8170.9-173.9153.20111.2E16 P22 A24 D28 F31E16-K20 HydrophobicContact CG-CB 4.15Å; E16-K20 HydrophobicContact CG-CD 4.08Å; E16-K20 HydrophobicContact CG-CG 4.35Å; E16-K20 WeakPolarHBondContact O-CB 3.43Å; E16-K20 PolarHBondContact O-N 3.45Å; E16-K20 VanDerWaalsContact OE1-CD 3.31Å; E16-K20 WeakPolarHBondContact OE1-CD 3.48Å; E16-K20 VanDerWaalsContact OE1-CE 3.26Å; E16-K20 WeakPolarHBondContact OE1-CE 3.35Å; E16-K20 IonicContact OE1-NZ 3.12Å; E16-K20 PolarHBondContact OE1-NZ 3Å; K20-P22 CarbonylContact C-O 3.28Å; K20-A24 HydrophobicContact CD-CB 3.99Å; K20-D28 IonicContact NZ-OD2 2.7Å; K20-F31 HydrophobicContact CD-CE2 4.48Å; K20-F31 HydrophobicContact CD-CZ 4.34Å
21K73Confident82.9Confident192 Ų19266.2 Ų66.284%0.83537%0.367SS*.SBendtrans-131.4121174.6-68.5-175.1-178.9-178.50109.2S19S19-K21 PolarHBondContact O-N 3.31Å
22P76.5Confident82.8Confident114 Ų11463 Ų6374%0.7436%0.355SS*.SBendcis-65.1164.8-029.4-34.9000112.6K20K20-P22 CarbonylContact C-O 3.28Å
23S77.8Confident82.8Confident54 Ų5461.7 Ų61.738%0.37835%0.351SS..PPolyproline II helixtrans-48.7146.7174.8-67.60000111.2E25 N66S23-E25 PolarHBondContact O-N 3.19Å; S23-N66 WeakPolarHBondContact CA-OD1 3.42Å; S23-N66 VanDerWaalsContact CB-OD1 3.25Å; S23-N66 WeakPolarHBondContact CB-OD1 3.17Å
24A76Confident82.9Confident2 Ų264.3 Ų64.32%0.01736%0.363CS..PPolyproline II helixtrans-56.6127.9178.700000109.6K20 S26 F31 W32 N66K20-A24 HydrophobicContact CD-CB 3.99Å; A24-S26 PolarHBondContact O-N 3.45Å; A24-F31 HydrophobicContact CB-CD1 3.97Å; A24-F31 HydrophobicContact CB-CE1 3.73Å; A24-W32 HydrophobicContact CB-CH2 3.94Å; A24-W32 HydrophobicContact CB-CZ2 3.47Å; A24-W32 VanDerWaalsContact CB-CZ2 3.47Å; A24-N66 PolarHBondContact N-OD1 3.41Å; A24-N66 VanDerWaalsContact N-OD1 3.11Å
25E78.3Confident82.9Confident136 Ų13663.8 Ų63.864%0.63636%0.36SS*.PPolyproline II helixtrans-64.4136.1174.7-65-176.7176.100109.2S23 S27 D28 W32S23-E25 PolarHBondContact O-N 3.19Å; E25-S27 PolarHBondContact O-N 3.03Å; E25-S27 VanDerWaalsContact O-N 3.12Å; E25-D28 PolarHBondContact O-N 3.37Å; E25-D28 VanDerWaalsContact O-N 3.1Å; E25-W32 PolarHBondContact O-NE1 3.29Å
26S75.7Confident83.1Confident62 Ų6261.2 Ų61.243%0.43434%0.342SS..THydrogen-bonded Turntrans-63.1-17.5177.5570000113A24 K73A24-S26 PolarHBondContact O-N 3.45Å; S26-K73 WeakPolarHBondContact O-CE 3.37Å; S26-K73 PolarHBondContact O-NZ 3.47Å
27S77.6Confident83Confident79 Ų7961.2 Ų61.255%0.55234%0.342SS*.THydrogen-bonded Turntrans-86-10.317742.60000114.4E25 D29E25-S27 PolarHBondContact O-N 3.03Å; E25-S27 VanDerWaalsContact O-N 3.12Å; S27-D29 PolarHBondContact O-N 2.88Å
28D83.2Confident82.7Confident49 Ų4962.6 Ų62.626%0.26235%0.351SS..  trans-78.368.2179-172.5-1000111.1K20 E25 S30 F31 W32K20-D28 IonicContact NZ-OD2 2.7Å; E25-D28 PolarHBondContact O-N 3.37Å; E25-D28 VanDerWaalsContact O-N 3.1Å; D28-S30 PolarHBondContact O-N 3.41Å; D28-S30 VanDerWaalsContact O-N 3.14Å; D28-S30 PolarHBondContact OD1-OG 3.41Å; D28-F31 HydrophobicContact CB-CB 4.15Å; D28-F31 WeakPolarHBondContact O-CB 3.4Å; D28-F31 PolarHBondContact O-N 2.93Å; D28-F31 VanDerWaalsContact O-N 3.07Å; D28-F31 PolarHBondContact OD1-N 3.19Å; D28-F31 VanDerWaalsContact OD1-N 3.11Å; D28-F31 WeakPolarHBondContact OD2-CB 3.37Å; D28-W32 PolarHBondContact O-N 3.05Å; D28-W32 VanDerWaalsContact O-N 3.14Å
29D82.9Confident82.5Confident98 Ų9866.4 Ų66.452%0.52436%0.364SS..Hα-helixtrans-57.5-28.9-178.9-72.9-26.3000111.9S27 W32 Q33 K73S27-D29 PolarHBondContact O-N 2.88Å; D29-W32 PolarHBondContact O-N 3.34Å; D29-Q33 WeakPolarHBondContact O-CB 3.33Å; D29-Q33 PolarHBondContact O-N 3.22Å; D29-K73 IonicContact OD1-NZ 3.2Å; D29-K73 PolarHBondContact OD1-NZ 3.08Å
30S85.3Confident82.2Confident83 Ų8362.8 Ų62.858%0.5834%0.339SS*.Hα-helixtrans-66.2-37.1177.879.30000112.9D28D28-S30 PolarHBondContact O-N 3.41Å; D28-S30 VanDerWaalsContact O-N 3.14Å; D28-S30 PolarHBondContact OD1-OG 3.41Å
31F87.4Confident82.4Confident4 Ų460.4 Ų60.42%0.01833%0.328CS..Hα-helixtrans-71.1-48.6173.3173.4-105.7000111E16 L17 K20 A24 D28 Q33 Q34 F35E16-F31 HydrophobicContact CB-CE2 4.18Å; E16-F31 VanDerWaalsContact CD-CE2 3.45Å; E16-F31 HydrophobicContact CG-CE2 4.03Å; L17-F31 HydrophobicContact CD2-CE1 3.78Å; L17-F31 HydrophobicContact CD2-CZ 3.85Å; L17-F31 HydrophobicContact CG-CZ 4.15Å; K20-F31 HydrophobicContact CD-CE2 4.48Å; K20-F31 HydrophobicContact CD-CZ 4.34Å; A24-F31 HydrophobicContact CB-CD1 3.97Å; A24-F31 HydrophobicContact CB-CE1 3.73Å; D28-F31 HydrophobicContact CB-CB 4.15Å; D28-F31 WeakPolarHBondContact O-CB 3.4Å; D28-F31 PolarHBondContact O-N 2.93Å; D28-F31 VanDerWaalsContact O-N 3.07Å; D28-F31 PolarHBondContact OD1-N 3.19Å; D28-F31 VanDerWaalsContact OD1-N 3.11Å; D28-F31 WeakPolarHBondContact OD2-CB 3.37Å; F31-Q33 VanDerWaalsContact C-N 3.33Å; F31-Q33 PolarHBondContact O-N 3Å; F31-Q34 WeakPolarHBondContact O-CB 3.5Å; F31-Q34 WeakPolarHBondContact O-CG 3.49Å; F31-Q34 PolarHBondContact O-N 2.89Å; F31-F35 HydrophobicContact CD1-CE2 4.48Å; F31-F35 AromaticContact CE1-CE2 3.99Å; F31-F35 HydrophobicContact CE1-CE2 3.99Å; F31-F35 HydrophobicContact CE1-CZ 4.49Å; F31-F35 HydrophobicContact CZ-CE2 4.05Å; F31-F35 HydrophobicContact CZ-CZ 4.17Å
32W88.3Confident82.7Confident0 Ų056.7 Ų56.70%031%0.312CS..Hα-helixtrans-66.5-33.9-176.6-61114000112.8L17 A24 E25 D28 D29 Q34 F35 W36 T69 L70 K73L17-W32 HydrophobicContact CD2-CH2 3.9Å; L17-W32 HydrophobicContact CD2-CZ3 3.64Å; A24-W32 HydrophobicContact CB-CH2 3.94Å; A24-W32 HydrophobicContact CB-CZ2 3.47Å; A24-W32 VanDerWaalsContact CB-CZ2 3.47Å; E25-W32 PolarHBondContact O-NE1 3.29Å; D28-W32 PolarHBondContact O-N 3.05Å; D28-W32 VanDerWaalsContact O-N 3.14Å; D29-W32 PolarHBondContact O-N 3.34Å; W32-Q34 PolarHBondContact O-N 2.97Å; W32-Q34 VanDerWaalsContact O-N 3.09Å; W32-F35 HydrophobicContact CE3-CD2 4.16Å; W32-F35 HydrophobicContact CE3-CE2 4.05Å; W32-F35 HydrophobicContact CZ3-CE2 4.38Å; W32-F35 WeakPolarHBondContact O-CD2 3.38Å; W32-F35 PolarHBondContact O-N 2.77Å; W32-F35 VanDerWaalsContact O-N 3.12Å; W32-W36 HydrophobicContact CB-CH2 3.53Å; W32-W36 HydrophobicContact CB-CZ2 4.06Å; W32-W36 HydrophobicContact CB-CZ3 4.29Å; W32-W36 VanDerWaalsContact O-CH2 3.26Å; W32-W36 WeakPolarHBondContact O-CH2 3.43Å; W32-W36 WeakPolarHBondContact O-CZ2 3.29Å; W32-W36 VanDerWaalsContact O-CZ3 3.24Å; W32-W36 WeakPolarHBondContact O-CZ3 3.41Å; W32-T69 HydrophobicContact CH2-CG2 3.7Å; W32-T69 HydrophobicContact CZ2-CG2 3.29Å; W32-T69 HydrophobicContact CZ3-CG2 4.49Å; W32-L70 HydrophobicContact CE3-CD1 4.22Å; W32-L70 HydrophobicContact CZ3-CB 3.89Å; W32-L70 HydrophobicContact CZ3-CD1 4.17Å; W32-K73 HydrophobicContact CD2-CG 4.37Å; W32-K73 HydrophobicContact CG-CG 4.3Å
33Q88.6Confident83Confident100 Ų10054 Ų5447%0.46729%0.292SS..G310 helixtrans-59.7-24177.7-168.9172.919.500113.4D29 F31 F35 W36 Q37D29-Q33 WeakPolarHBondContact O-CB 3.33Å; D29-Q33 PolarHBondContact O-N 3.22Å; F31-Q33 VanDerWaalsContact C-N 3.33Å; F31-Q33 PolarHBondContact O-N 3Å; Q33-F35 PolarHBondContact O-N 3.47Å; Q33-W36 PolarHBondContact O-N 3.45Å; Q33-Q37 WeakPolarHBondContact O-CG 3.37Å; Q33-Q37 PolarHBondContact O-N 3.34Å
34Q89.4Confident83.3Confident54 Ų5452 Ų5225%0.25228%0.277SS..G310 helixtrans-61-28.2177.8-61.6-18042.400112.9A13 F31 W32A13-Q34 HydrophobicContact CB-CB 4.13Å; F31-Q34 WeakPolarHBondContact O-CB 3.5Å; F31-Q34 WeakPolarHBondContact O-CG 3.49Å; F31-Q34 PolarHBondContact O-N 2.89Å; W32-Q34 PolarHBondContact O-N 2.97Å; W32-Q34 VanDerWaalsContact O-N 3.09Å
35F90.6Very high83.8Confident1 Ų155.9 Ų55.90%0.00430%0.295CS..G310 helixtrans-73-31.1-177.2-68.5-75.3000113.1F10 A13 V14 L17 F31 W32 Q33 L70 I101F10-F35 HydrophobicContact CD2-CD1 4.45Å; F10-F35 HydrophobicContact CE2-CB 4.33Å; F10-F35 AromaticContact CE2-CD1 3.87Å; F10-F35 HydrophobicContact CE2-CD1 3.87Å; F10-F35 VanDerWaalsContact CE2-O 3.31Å; F10-F35 WeakPolarHBondContact CE2-O 3.41Å; F10-F35 HydrophobicContact CZ-CD1 4.41Å; A13-F35 HydrophobicContact CB-CE1 3.89Å; A13-F35 HydrophobicContact CB-CE2 4.26Å; A13-F35 HydrophobicContact CB-CZ 3.62Å; V14-F35 HydrophobicContact CG2-CD1 4.46Å; V14-F35 HydrophobicContact CG2-CE1 3.94Å; L17-F35 HydrophobicContact CD1-CD1 4.42Å; L17-F35 HydrophobicContact CD1-CE1 3.4Å; L17-F35 HydrophobicContact CD1-CE2 4.17Å; L17-F35 HydrophobicContact CD1-CZ 3.27Å; L17-F35 HydrophobicContact CD2-CE2 4.28Å; L17-F35 HydrophobicContact CD2-CZ 3.98Å; L17-F35 HydrophobicContact CG-CE1 4.11Å; L17-F35 HydrophobicContact CG-CE2 4.28Å; L17-F35 HydrophobicContact CG-CZ 3.49Å; L17-F35 VanDerWaalsContact CG-CZ 3.49Å; F31-F35 HydrophobicContact CD1-CE2 4.48Å; F31-F35 AromaticContact CE1-CE2 3.99Å; F31-F35 HydrophobicContact CE1-CE2 3.99Å; F31-F35 HydrophobicContact CE1-CZ 4.49Å; F31-F35 HydrophobicContact CZ-CE2 4.05Å; F31-F35 HydrophobicContact CZ-CZ 4.17Å; W32-F35 HydrophobicContact CE3-CD2 4.16Å; W32-F35 HydrophobicContact CE3-CE2 4.05Å; W32-F35 HydrophobicContact CZ3-CE2 4.38Å; W32-F35 WeakPolarHBondContact O-CD2 3.38Å; W32-F35 PolarHBondContact O-N 2.77Å; W32-F35 VanDerWaalsContact O-N 3.12Å; Q33-F35 PolarHBondContact O-N 3.47Å; F35-L70 HydrophobicContact CB-CD1 4.22Å; F35-L70 HydrophobicContact CD1-CD1 4.11Å; F35-L70 HydrophobicContact CD2-CD1 3.84Å; F35-L70 HydrophobicContact CE2-CD1 4.33Å; F35-L70 HydrophobicContact CG-CD1 3.75Å; F35-I101 HydrophobicContact CB-CD1 3.9Å; F35-I101 WeakPolarHBondContact O-CD1 3.46Å
36W91Very high84.2Confident18 Ų1850.1 Ų50.17%0.06827%0.269CS..THydrogen-bonded Turntrans-110.26.8-177.24687.5000114.5W32 Q33 K73 H77 E94 N97W32-W36 HydrophobicContact CB-CH2 3.53Å; W32-W36 HydrophobicContact CB-CZ2 4.06Å; W32-W36 HydrophobicContact CB-CZ3 4.29Å; W32-W36 VanDerWaalsContact O-CH2 3.26Å; W32-W36 WeakPolarHBondContact O-CH2 3.43Å; W32-W36 WeakPolarHBondContact O-CZ2 3.29Å; W32-W36 VanDerWaalsContact O-CZ3 3.24Å; W32-W36 WeakPolarHBondContact O-CZ3 3.41Å; Q33-W36 PolarHBondContact O-N 3.45Å; W36-K73 HydrophobicContact CH2-CB 3.97Å; W36-K73 HydrophobicContact CZ3-CB 4.29Å; W36-H77 AromaticContact CD1-NE2 3.72Å; W36-H77 AromaticContact NE1-CE1 3.91Å; W36-H77 AromaticContact NE1-NE2 3.89Å; W36-E94 HydrophobicContact CB-CB 4.25Å; W36-E94 WeakPolarHBondContact O-CA 3.28Å; W36-E94 WeakPolarHBondContact O-CG 3.4Å; W36-N97 HydrophobicContact CB-CB 4.19Å; W36-N97 PolarHBondContact O-ND2 3.1Å
37Q88.4Confident84.9Confident69 Ų6947.2 Ų47.232%0.32225%0.248SC..  trans-46.4132.2177.9-70.9-174.8-2.200112.8Q33 M39 S40 N97Q33-Q37 WeakPolarHBondContact O-CG 3.37Å; Q33-Q37 PolarHBondContact O-N 3.34Å; Q37-M39 PolarHBondContact O-N 2.68Å; Q37-S40 PolarHBondContact O-N 3.42Å; Q37-S40 PolarHBondContact O-OG 2.78Å; Q37-N97 PolarHBondContact O-ND2 3.3Å
38P80.4Confident85.5Confident32 Ų3244.6 Ų44.621%0.20823%0.227CC..THydrogen-bonded Turntrans-55.3-27.3-172.2-28.933.3000115.8N90 Q93 E94P38-N90 HydrophobicContact CB-CB 4.4Å; P38-N90 HydrophobicContact CG-CB 3.75Å; P38-Q93 HydrophobicContact CB-CB 4Å; P38-E94 HydrophobicContact CG-CG 3.95Å
39M80.2Confident85.7Confident120 Ų12046.2 Ų46.259%0.59124%0.242SC*.THydrogen-bonded Turntrans-96.8-6.7-176.1-65.8-69.417800113.9S6 Q37S6-M39 PolarHBondContact OG-O 2.89Å; Q37-M39 PolarHBondContact O-N 2.68Å
40S78.5Confident86.1Confident0 Ų042.6 Ų42.60%022%0.223CC..THydrogen-bonded Turntrans-71.5-40.6-173.462.90000113.1R7 Q37R7-S40 WeakPolarHBondContact CG-O 3.32Å; Q37-S40 PolarHBondContact O-N 3.42Å; Q37-S40 PolarHBondContact O-OG 2.78Å
41I81.2Confident86.4Confident1 Ų139.1 Ų39.11%0.00520%0.197CC..  trans-131.5121.8-172.6-60.3154.1000108F10 N43 D46 I47 L50 N97 R100F10-I41 HydrophobicContact CD2-CD1 4.19Å; F10-I41 HydrophobicContact CE1-CD1 4.48Å; F10-I41 HydrophobicContact CE2-CD1 3.7Å; F10-I41 HydrophobicContact CE2-CG1 4.42Å; F10-I41 HydrophobicContact CZ-CD1 3.86Å; F10-I41 HydrophobicContact CZ-CG1 4.5Å; I41-N43 VanDerWaalsContact CG2-O 3.22Å; I41-N43 WeakPolarHBondContact CG2-O 3.34Å; I41-D46 HydrophobicContact CG2-CB 4.04Å; I41-I47 HydrophobicContact CD1-CD1 3.77Å; I41-I47 HydrophobicContact CG1-CD1 4.46Å; I41-L50 HydrophobicContact CG1-CD1 4.48Å; I41-N97 WeakPolarHBondContact CB-OD1 3.45Å; I41-N97 HydrophobicContact CD1-CB 4.22Å; I41-N97 PolarHBondContact O-OD1 3.26Å; I41-R100 PolarHBondContact O-NH1 3.03Å; I41-R100 VanDerWaalsContact O-NH1 3.13Å
42K79.7Confident86.7Confident114 Ų11441.1 Ų41.150%0.49621%0.211SC..SBendtrans-90.3-38.1-178.2-66.7-173.6175.9-176.80112.6N3 D46 R100N3-K42 PolarHBondContact ND2-NZ 2.98Å; K42-D46 WeakPolarHBondContact CB-OD2 3.19Å; K42-D46 PolarHBondContact N-OD2 3.15Å; K42-R100 PolarHBondContact O-NH1 3.02Å; K42-R100 PolarHBondContact O-NH2 3.49Å
43N82.9Confident86.9Confident59 Ų5941.8 Ų41.832%0.31622%0.216SC..SBendtrans-143.3172.4-177.160.434.7000110.2I41 Q45 D46I41-N43 VanDerWaalsContact CG2-O 3.22Å; I41-N43 WeakPolarHBondContact CG2-O 3.34Å; N43-Q45 VanDerWaalsContact C-N 3.26Å; N43-Q45 PolarHBondContact ND2-OE1 2.91Å; N43-Q45 PolarHBondContact O-N 2.87Å; N43-Q45 PolarHBondContact OD1-N 3.24Å; N43-Q45 VanDerWaalsContact OD1-N 3.1Å; N43-Q45 PolarHBondContact OD1-OE1 3.28Å; N43-D46 PolarHBondContact O-N 3.39Å; N43-D46 VanDerWaalsContact OD1-CG 3.31Å; N43-D46 PolarHBondContact OD1-N 2.94Å; N43-D46 PolarHBondContact OD1-OD1 3.49Å
44V84.1Confident87.1Confident12 Ų1242 Ų427%0.07322%0.22CC..Hα-helixtrans-67.2-24.2178.472.20000112.8D46 I47 F48 R100 P749V44-D46 VanDerWaalsContact C-N 3.32Å; V44-D46 PolarHBondContact O-N 3.49Å; V44-I47 HydrophobicContact CG2-CG2 4.25Å; V44-I47 WeakPolarHBondContact O-CG2 3.37Å; V44-I47 PolarHBondContact O-N 3.26Å; V44-F48 HydrophobicContact CG2-CD2 4.34Å; V44-F48 HydrophobicContact CG2-CE2 4.01Å; V44-F48 WeakPolarHBondContact O-CD2 3.47Å; V44-R100 HydrophobicContact CB-CG 4.3Å; V44-R100 HydrophobicContact CG2-CG 4.24Å; V44-P749 HydrophobicContact CB-CG 4.47Å; V44-P749 HydrophobicContact CG1-CB 4.11Å; V44-P749 HydrophobicContact CG1-CG 3.88Å; V44-P749 HydrophobicContact CG2-CB 4.09Å; V44-P749 HydrophobicContact CG2-CG 3.75Å
45Q86.3Confident87.3Confident83 Ų8341.9 Ų41.939%0.38822%0.219SC..Hα-helixtrans-66.8-36176.9-64.796.70.900112.2N43 I47 F48 S49 D748N43-Q45 VanDerWaalsContact C-N 3.26Å; N43-Q45 PolarHBondContact ND2-OE1 2.91Å; N43-Q45 PolarHBondContact O-N 2.87Å; N43-Q45 PolarHBondContact OD1-N 3.24Å; N43-Q45 VanDerWaalsContact OD1-N 3.1Å; N43-Q45 PolarHBondContact OD1-OE1 3.28Å; Q45-I47 VanDerWaalsContact C-N 3.31Å; Q45-I47 PolarHBondContact O-N 2.97Å; Q45-F48 PolarHBondContact O-N 2.89Å; Q45-S49 PolarHBondContact O-N 3.28Å; Q45-D748 WeakPolarHBondContact CG-OD1 3.36Å; Q45-D748 PolarHBondContact NE2-OD1 2.7Å; Q45-D748 PolarHBondContact NE2-OD2 3.38Å
46D86.9Confident87.5Confident15 Ų1541.9 Ų41.98%0.0822%0.219CC..Hα-helixtrans-56.6-43.9178.5-71.7-21.4000111.1R7 I41 K42 N43 V44 F48 S49 L50R7-D46 IonicContact CZ-OD1 3.82Å; R7-D46 IonicContact CZ-OD2 3.81Å; R7-D46 IonicContact NE-OD2 2.71Å; R7-D46 IonicContact NH1-OD1 3.47Å; R7-D46 IonicContact NH2-OD1 3.04Å; R7-D46 PolarHBondContact NH2-OD1 3.36Å; R7-D46 IonicContact NH2-OD2 3.4Å; R7-D46 PolarHBondContact NH2-OD2 2.91Å; I41-D46 HydrophobicContact CG2-CB 4.04Å; K42-D46 WeakPolarHBondContact CB-OD2 3.19Å; K42-D46 PolarHBondContact N-OD2 3.15Å; N43-D46 PolarHBondContact O-N 3.39Å; N43-D46 VanDerWaalsContact OD1-CG 3.31Å; N43-D46 PolarHBondContact OD1-N 2.94Å; N43-D46 PolarHBondContact OD1-OD1 3.49Å; V44-D46 VanDerWaalsContact C-N 3.32Å; V44-D46 PolarHBondContact O-N 3.49Å; D46-F48 PolarHBondContact O-N 3.32Å; D46-S49 PolarHBondContact O-N 3.29Å; D46-S49 VanDerWaalsContact O-N 3.17Å; D46-S49 PolarHBondContact O-OG 3.13Å; D46-L50 HydrophobicContact CB-CD1 4.33Å; D46-L50 WeakPolarHBondContact O-CB 3.34Å; D46-L50 WeakPolarHBondContact O-CG 3.31Å; D46-L50 PolarHBondContact O-N 2.65Å
47I90Very high87.7Confident0 Ų042.3 Ų42.30%022%0.221CC..Hα-helixtrans-65.5-37.1-177.2-165.469.1000112.6F10 I41 V44 Q45 S49 L50 I51 R100 I101 R104F10-I47 HydrophobicContact CE1-CD1 3.85Å; F10-I47 HydrophobicContact CE2-CD1 4.47Å; F10-I47 HydrophobicContact CZ-CD1 3.46Å; F10-I47 VanDerWaalsContact CZ-CD1 3.46Å; I41-I47 HydrophobicContact CD1-CD1 3.77Å; I41-I47 HydrophobicContact CG1-CD1 4.46Å; V44-I47 HydrophobicContact CG2-CG2 4.25Å; V44-I47 WeakPolarHBondContact O-CG2 3.37Å; V44-I47 PolarHBondContact O-N 3.26Å; Q45-I47 VanDerWaalsContact C-N 3.31Å; Q45-I47 PolarHBondContact O-N 2.97Å; I47-S49 VanDerWaalsContact C-N 3.29Å; I47-S49 PolarHBondContact O-N 3.15Å; I47-L50 PolarHBondContact O-N 3.44Å; I47-I51 HydrophobicContact CD1-CD1 3.5Å; I47-I51 HydrophobicContact CD1-CG1 3.9Å; I47-I51 HydrophobicContact CG1-CD1 4.1Å; I47-I51 HydrophobicContact CG1-CG1 4.41Å; I47-I51 PolarHBondContact O-N 3.33Å; I47-R100 HydrophobicContact CB-CB 4.33Å; I47-R100 HydrophobicContact CG2-CB 3.95Å; I47-I101 HydrophobicContact CD1-CG1 3.79Å; I47-I101 HydrophobicContact CG1-CG1 4.4Å; I47-R104 HydrophobicContact CG1-CB 4.09Å; I47-R104 HydrophobicContact CG1-CG 4.33Å; I47-R104 HydrophobicContact CG2-CB 4.32Å
48F90.1Very high87.9Confident24 Ų2443.8 Ų43.811%0.10523%0.228CC..Hα-helixtrans-69.6-29177.8-79.6-101.9000111.8V44 Q45 D46 R104 P749 P750 I751V44-F48 HydrophobicContact CG2-CD2 4.34Å; V44-F48 HydrophobicContact CG2-CE2 4.01Å; V44-F48 WeakPolarHBondContact O-CD2 3.47Å; Q45-F48 PolarHBondContact O-N 2.89Å; D46-F48 PolarHBondContact O-N 3.32Å; F48-R104 HydrophobicContact CE2-CB 4.44Å; F48-P749 HydrophobicContact CD2-CB 3.74Å; F48-P749 HydrophobicContact CE1-CB 4.48Å; F48-P749 HydrophobicContact CE2-CB 3.54Å; F48-P749 HydrophobicContact CE2-CG 4.03Å; F48-P749 HydrophobicContact CG-CB 4.33Å; F48-P749 HydrophobicContact CZ-CB 3.95Å; F48-P749 HydrophobicContact CZ-CG 4.37Å; F48-P750 HydrophobicContact CD1-CG 3.9Å; F48-P750 HydrophobicContact CE1-CG 4.42Å; F48-P750 WeakPolarHBondContact CE1-O 3.49Å; F48-P750 HydrophobicContact CG-CG 4.49Å; F48-I751 HydrophobicContact CZ-CG1 4.3Å
49S88.5Confident88.5Confident83 Ų8342.8 Ų42.858%0.5822%0.221SC*.Hα-helixtrans-78.2-34.6173.575.60000113.3Q45 D46 I47Q45-S49 PolarHBondContact O-N 3.28Å; D46-S49 PolarHBondContact O-N 3.29Å; D46-S49 VanDerWaalsContact O-N 3.17Å; D46-S49 PolarHBondContact O-OG 3.13Å; I47-S49 VanDerWaalsContact C-N 3.29Å; I47-S49 PolarHBondContact O-N 3.15Å
50L90.3Very high89.2Confident23 Ų2337.7 Ų37.712%0.1220%0.195CC..Hα-helixtrans-84.6-23.8-174.6-70.2168.2000113.3F10 R11 I41 D46 I47F10-L50 HydrophobicContact CD1-CB 4.12Å; F10-L50 HydrophobicContact CD1-CD1 3.8Å; F10-L50 HydrophobicContact CD1-CG 4.43Å; F10-L50 HydrophobicContact CE1-CB 3.9Å; F10-L50 HydrophobicContact CE1-CD1 4.1Å; R11-L50 PolarHBondContact NH1-O 2.68Å; I41-L50 HydrophobicContact CG1-CD1 4.48Å; D46-L50 HydrophobicContact CB-CD1 4.33Å; D46-L50 WeakPolarHBondContact O-CB 3.34Å; D46-L50 WeakPolarHBondContact O-CG 3.31Å; D46-L50 PolarHBondContact O-N 2.65Å; I47-L50 PolarHBondContact O-N 3.44Å
51I92.3Very high89.8Confident9 Ų943.2 Ų43.25%0.04622%0.221CC..SBendtrans-123.886.2177.5-45.9-174.3000110.1F10 V14 I47 I56 R104F10-I51 HydrophobicContact CE1-CD1 4.24Å; F10-I51 HydrophobicContact CE1-CG1 4.1Å; F10-I51 HydrophobicContact CZ-CD1 4.01Å; F10-I51 HydrophobicContact CZ-CG1 4.38Å; V14-I51 HydrophobicContact CG1-CG1 4.3Å; V14-I51 HydrophobicContact CG1-CG2 4.44Å; V14-I51 HydrophobicContact CG2-CD1 4.17Å; V14-I51 HydrophobicContact CG2-CG1 4.08Å; I47-I51 HydrophobicContact CD1-CD1 3.5Å; I47-I51 HydrophobicContact CD1-CG1 3.9Å; I47-I51 HydrophobicContact CG1-CD1 4.1Å; I47-I51 HydrophobicContact CG1-CG1 4.41Å; I47-I51 PolarHBondContact O-N 3.33Å; I51-I56 HydrophobicContact CG2-CD1 3.68Å; I51-I56 HydrophobicContact CG2-CG1 3.4Å; I51-R104 HydrophobicContact CB-CG 4.32Å; I51-R104 PolarHBondContact O-NE 3.42Å; I51-R104 PolarHBondContact O-NH2 3.34Å
52P92.8Very high90.3Very high47 Ų4748.6 Ų48.631%0.30525%0.249SC..  trans-61.4151.6176.3-23.234.5000113.2D54 E55 I56P52-D54 VanDerWaalsContact C-N 3.31Å; P52-D54 PolarHBondContact O-N 2.86Å; P52-E55 HydrophobicContact CB-CG 4.32Å; P52-E55 HydrophobicContact CG-CG 4.39Å; P52-E55 PolarHBondContact O-N 3.46Å; P52-E55 VanDerWaalsContact O-N 3.16Å; P52-I56 PolarHBondContact O-N 2.94Å
53S93.3Very high90.9Very high14 Ų1443.7 Ų43.710%0.09823%0.23CC..Hα-helixtrans-60.9-39.6-174.1-57.20000112.4E55 I56 R57 R104S53-E55 VanDerWaalsContact C-N 3.31Å; S53-E55 PolarHBondContact O-N 2.99Å; S53-I56 PolarHBondContact O-N 3.33Å; S53-R57 PolarHBondContact O-N 3.21Å; S53-R104 VanDerWaalsContact CA-NH2 3.31Å; S53-R104 PolarHBondContact OG-NH2 2.88Å
54D92.7Very high91.4Very high104 Ų10443.9 Ų43.956%0.55624%0.235SC*.Hα-helixtrans-68.1-31.5-179.9-66.4-25.5000112.6P52 R57 Q58P52-D54 VanDerWaalsContact C-N 3.31Å; P52-D54 PolarHBondContact O-N 2.86Å; D54-R57 PolarHBondContact O-N 2.81Å; D54-R57 IonicContact OD1-NH1 2.86Å; D54-R57 PolarHBondContact OD1-NH1 3.44Å; D54-R57 VanDerWaalsContact OD1-NH1 3.14Å; D54-Q58 WeakPolarHBondContact O-CB 3.26Å; D54-Q58 VanDerWaalsContact O-CG 3.28Å; D54-Q58 WeakPolarHBondContact O-CG 3.33Å; D54-Q58 PolarHBondContact O-N 2.9Å
55E93.3Very high91.6Very high51 Ų5148.1 Ų48.124%0.23825%0.254CS..Hα-helixtrans-70.8-34.3175.7-66.8-176.1-158.100111.8R11 P52 S53 R57 Q58 L59R11-E55 IonicContact CZ-OE1 3.63Å; R11-E55 IonicContact CZ-OE2 3.54Å; R11-E55 VanDerWaalsContact CZ-OE2 3.3Å; R11-E55 IonicContact NH1-OE1 2.82Å; R11-E55 IonicContact NH1-OE2 2.74Å; R11-E55 PolarHBondContact NH1-OE2 3.31Å; R11-E55 VanDerWaalsContact NH2-CD 3.27Å; R11-E55 IonicContact NH2-OE1 3.33Å; R11-E55 PolarHBondContact NH2-OE1 2.89Å; R11-E55 IonicContact NH2-OE2 3.11Å; R11-E55 PolarHBondContact NH2-OE2 3.24Å; R11-E55 VanDerWaalsContact NH2-OE2 3.11Å; P52-E55 HydrophobicContact CB-CG 4.32Å; P52-E55 HydrophobicContact CG-CG 4.39Å; P52-E55 PolarHBondContact O-N 3.46Å; P52-E55 VanDerWaalsContact O-N 3.16Å; S53-E55 VanDerWaalsContact C-N 3.31Å; S53-E55 PolarHBondContact O-N 2.99Å; E55-R57 VanDerWaalsContact C-N 3.32Å; E55-Q58 PolarHBondContact O-N 3.38Å; E55-L59 WeakPolarHBondContact O-CB 3.2Å; E55-L59 PolarHBondContact O-N 3.02Å
56I94.7Very high91.9Very high1 Ų144.2 Ų44.21%0.00524%0.235CC..Hα-helixtrans-65.7-40.2175.2-58168.8000109.9I51 P52 S53 L59 R60 R104 L105 H108I51-I56 HydrophobicContact CG2-CD1 3.68Å; I51-I56 HydrophobicContact CG2-CG1 3.4Å; P52-I56 PolarHBondContact O-N 2.94Å; S53-I56 PolarHBondContact O-N 3.33Å; I56-L59 PolarHBondContact O-N 3.45Å; I56-R60 WeakPolarHBondContact O-CB 3.48Å; I56-R60 PolarHBondContact O-N 2.85Å; I56-R104 HydrophobicContact CD1-CG 3.94Å; I56-L105 HydrophobicContact CD1-CD2 4.07Å; I56-L105 HydrophobicContact CG1-CD2 3.99Å; I56-L105 HydrophobicContact CG2-CD2 3.9Å; I56-H108 HydrophobicContact CB-CB 4.28Å; I56-H108 WeakPolarHBondContact CD1-CD2 3.47Å; I56-H108 HydrophobicContact CG2-CB 3.55Å
57R94.6Very high92.2Very high27 Ų2743.5 Ų43.510%0.10223%0.231CC..Hα-helixtrans-65.6-46.1174.2-66.9178.4-176.6113.18.6112S53 D54 E55 L59 R60 E61 E111 D754S53-R57 PolarHBondContact O-N 3.21Å; D54-R57 PolarHBondContact O-N 2.81Å; D54-R57 IonicContact OD1-NH1 2.86Å; D54-R57 PolarHBondContact OD1-NH1 3.44Å; D54-R57 VanDerWaalsContact OD1-NH1 3.14Å; E55-R57 VanDerWaalsContact C-N 3.32Å; R57-L59 VanDerWaalsContact C-N 3.29Å; R57-L59 PolarHBondContact O-N 3.49Å; R57-R60 WeakPolarHBondContact O-CB 3.33Å; R57-R60 PolarHBondContact O-N 3.28Å; R57-E61 WeakPolarHBondContact O-CB 3.48Å; R57-E61 WeakPolarHBondContact O-CG 3.15Å; R57-E61 PolarHBondContact O-N 3.16Å; R57-E111 IonicContact CZ-OE1 3.11Å; R57-E111 IonicContact NE-OE1 2.65Å; R57-E111 IonicContact NE-OE2 3.62Å; R57-E111 PolarHBondContact NE-OE2 3.25Å; R57-E111 IonicContact NH2-OE1 2.66Å; R57-E111 PolarHBondContact NH2-OE1 2.99Å; R57-E111 IonicContact NH2-OE2 2.58Å; R57-D754 PolarHBondContact NH2-O 2.84Å
58Q93Very high92.3Very high100 Ų10044.3 Ų44.347%0.46724%0.238SC..Hα-helixtrans-60.3-40.1175-73.7175.314.500111.7D54 E55 E61 N62D54-Q58 WeakPolarHBondContact O-CB 3.26Å; D54-Q58 VanDerWaalsContact O-CG 3.28Å; D54-Q58 WeakPolarHBondContact O-CG 3.33Å; D54-Q58 PolarHBondContact O-N 2.9Å; E55-Q58 PolarHBondContact O-N 3.38Å; Q58-E61 PolarHBondContact O-N 3.43Å; Q58-N62 WeakPolarHBondContact O-CB 3.5Å; Q58-N62 VanDerWaalsContact O-CG 3.3Å; Q58-N62 PolarHBondContact O-N 2.95Å; Q58-N62 PolarHBondContact O-ND2 3.29Å; Q58-N62 VanDerWaalsContact O-ND2 3.12Å
59L93.8Very high92.3Very high12 Ų1243.8 Ų43.86%0.06324%0.237CC..Hα-helixtrans-64.2-43.7175.3176.260.9000111L17 A18 E55 I56 R57 E61 A63 N66 L67L17-L59 HydrophobicContact CB-CD1 3.91Å; L17-L59 HydrophobicContact CB-CD2 4.41Å; L17-L59 HydrophobicContact CD1-CD2 4.4Å; A18-L59 HydrophobicContact CB-CD1 4.5Å; E55-L59 WeakPolarHBondContact O-CB 3.2Å; E55-L59 PolarHBondContact O-N 3.02Å; I56-L59 PolarHBondContact O-N 3.45Å; R57-L59 VanDerWaalsContact C-N 3.29Å; R57-L59 PolarHBondContact O-N 3.49Å; L59-E61 VanDerWaalsContact C-N 3.34Å; L59-E61 PolarHBondContact O-N 3.16Å; L59-A63 HydrophobicContact CD1-CB 4.11Å; L59-A63 CarbonylContact O-C 3.55Å; L59-A63 WeakPolarHBondContact O-CA 3.17Å; L59-A63 PolarHBondContact O-N 2.85Å; L59-N66 HydrophobicContact CD1-CB 4.3Å; L59-L67 HydrophobicContact CD2-CB 4.33Å; L59-L67 HydrophobicContact CD2-CD1 4.01Å; L59-L67 HydrophobicContact CG-CB 4.1Å
60R93.6Very high92.6Very high13 Ų1340 Ų405%0.04921%0.21CC..Hα-helixtrans-61-40.1176-170.3-176.670.1-1584.2112.3I56 R57 P64 L67 H108 E111 E112 W115I56-R60 WeakPolarHBondContact O-CB 3.48Å; I56-R60 PolarHBondContact O-N 2.85Å; R57-R60 WeakPolarHBondContact O-CB 3.33Å; R57-R60 PolarHBondContact O-N 3.28Å; R60-P64 WeakPolarHBondContact O-CB 3.31Å; R60-L67 HydrophobicContact CB-CD2 3.76Å; R60-L67 HydrophobicContact CG-CD2 3.98Å; R60-H108 PolarHBondContact NH1-O 2.92Å; R60-E111 IonicContact CZ-OE2 3.47Å; R60-E111 IonicContact NH1-OE2 2.93Å; R60-E111 PolarHBondContact NH1-OE2 3.26Å; R60-E111 IonicContact NH2-OE2 3.66Å; R60-E112 VanDerWaalsContact CZ-CG 3.43Å; R60-E112 IonicContact CZ-OE1 2.77Å; R60-E112 IonicContact NH2-OE1 3.62Å; R60-E112 PolarHBondContact NH2-OE1 3.08Å; R60-E112 VanDerWaalsContact NH2-OE1 3.12Å; R60-W115 HydrophobicContact CG-CZ2 4.1Å; R60-W115 VanDerWaalsContact CG-NE1 3.28Å
61E92.2Very high92.7Very high116 Ų11639 Ų3954%0.54221%0.205SC..Hα-helixtrans-81.5-43.7-177.8-70.1170.1-174.300112.7R57 Q58 L59R57-E61 WeakPolarHBondContact O-CB 3.48Å; R57-E61 WeakPolarHBondContact O-CG 3.15Å; R57-E61 PolarHBondContact O-N 3.16Å; Q58-E61 PolarHBondContact O-N 3.43Å; L59-E61 VanDerWaalsContact C-N 3.34Å; L59-E61 PolarHBondContact O-N 3.16Å
62N92Very high92.7Very high113 Ų11339.6 Ų39.660%0.60421%0.207SC*.Hα-helixtrans-91.3-28.7-171.9-63-41.8000113.8Q58Q58-N62 WeakPolarHBondContact O-CB 3.5Å; Q58-N62 VanDerWaalsContact O-CG 3.3Å; Q58-N62 PolarHBondContact O-N 2.95Å; Q58-N62 PolarHBondContact O-ND2 3.29Å; Q58-N62 VanDerWaalsContact O-ND2 3.12Å
63A92.1Very high92.7Very high12 Ų1238.6 Ų38.610%0.09920%0.198CC..  trans-145.159.5-178.100000112.2L59 H65 N66 L67L59-A63 HydrophobicContact CD1-CB 4.11Å; L59-A63 CarbonylContact O-C 3.55Å; L59-A63 WeakPolarHBondContact O-CA 3.17Å; L59-A63 PolarHBondContact O-N 2.85Å; A63-H65 PolarHBondContact O-N 3.45Å; A63-H65 VanDerWaalsContact O-N 3.16Å; A63-N66 HydrophobicContact CB-CB 4.14Å; A63-N66 PolarHBondContact O-N 2.95Å; A63-L67 PolarHBondContact O-N 3.06Å
64P91.7Very high92.8Very high62 Ų6238 Ų3840%0.40319%0.193SC..Hα-helixtrans-56.5-34.4-178.221.5-33.3000113R60 N66 L67 A68 W115R60-P64 WeakPolarHBondContact O-CB 3.31Å; P64-N66 PolarHBondContact O-N 3.04Å; P64-L67 PolarHBondContact O-N 3.26Å; P64-A68 WeakPolarHBondContact O-CB 3.39Å; P64-A68 PolarHBondContact O-N 3.28Å; P64-W115 HydrophobicContact CB-CH2 4.47Å; P64-W115 HydrophobicContact CB-CZ2 3.86Å; P64-W115 WeakPolarHBondContact O-CH2 3.18Å
65H90.3Very high92.9Very high102 Ų10233 Ų3347%0.47217%0.166SC..Hα-helixtrans-61.3-40.9175.8-179-83.3000112.7A63 A68 T69A63-H65 PolarHBondContact O-N 3.45Å; A63-H65 VanDerWaalsContact O-N 3.16Å; H65-A68 PolarHBondContact O-N 3.05Å; H65-T69 PolarHBondContact CE1-OG1 2.79Å; H65-T69 WeakPolarHBondContact O-CB 3.17Å; H65-T69 PolarHBondContact O-N 3.48Å; H65-T69 PolarHBondContact O-OG1 3.17Å
66N91.7Very high92.9Very high0 Ų031.7 Ų31.70%016%0.16CC..Hα-helixtrans-67.8-39178.8-68.8-8.5000110.6L17 S23 A24 L59 A63 P64 T69 L70L17-N66 HydrophobicContact CD2-CB 4.17Å; L17-N66 PolarHBondContact O-ND2 3.37Å; S23-N66 WeakPolarHBondContact CA-OD1 3.42Å; S23-N66 VanDerWaalsContact CB-OD1 3.25Å; S23-N66 WeakPolarHBondContact CB-OD1 3.17Å; A24-N66 PolarHBondContact N-OD1 3.41Å; A24-N66 VanDerWaalsContact N-OD1 3.11Å; L59-N66 HydrophobicContact CD1-CB 4.3Å; A63-N66 HydrophobicContact CB-CB 4.14Å; A63-N66 PolarHBondContact O-N 2.95Å; P64-N66 PolarHBondContact O-N 3.04Å; N66-T69 PolarHBondContact O-N 3.16Å; N66-L70 WeakPolarHBondContact O-CB 3.35Å; N66-L70 PolarHBondContact O-N 3.12Å
67L93.3Very high92.8Very high0 Ų033.3 Ų33.30%017%0.168CC..Hα-helixtrans-63.1-48.2173.9-178.256.5000111.9L59 R60 A63 P64 T69 L70 C71 L105 M109 W115L59-L67 HydrophobicContact CD2-CB 4.33Å; L59-L67 HydrophobicContact CD2-CD1 4.01Å; L59-L67 HydrophobicContact CG-CB 4.1Å; R60-L67 HydrophobicContact CB-CD2 3.76Å; R60-L67 HydrophobicContact CG-CD2 3.98Å; A63-L67 PolarHBondContact O-N 3.06Å; P64-L67 PolarHBondContact O-N 3.26Å; L67-T69 VanDerWaalsContact C-N 3.29Å; L67-T69 PolarHBondContact O-N 3.26Å; L67-L70 PolarHBondContact O-N 3.36Å; L67-C71 PolarHBondContact O-N 2.88Å; L67-C71 PolarHBondContact O-SG 3.07Å; L67-L105 HydrophobicContact CD1-CD1 4.1Å; L67-L105 HydrophobicContact CD1-CD2 4.17Å; L67-M109 HydrophobicContact CD1-SD 4.44Å; L67-M109 HydrophobicContact CD2-CG 4.14Å; L67-M109 HydrophobicContact CG-CE 4.34Å; L67-M109 HydrophobicContact CG-SD 4.5Å; L67-W115 HydrophobicContact CB-CH2 3.97Å; L67-W115 HydrophobicContact CB-CZ2 4.4Å; L67-W115 HydrophobicContact CD2-CH2 3.93Å; L67-W115 HydrophobicContact CD2-CZ2 3.83Å; L67-W115 HydrophobicContact CG-CH2 3.91Å; L67-W115 HydrophobicContact CG-CZ2 4.31Å; L67-W115 HydrophobicContact CG-CZ3 4.46Å
68A91.7Very high92.8Very high17 Ų1732 Ų3214%0.1416%0.163CC..Hα-helixtrans-58.2-44.1177.500000111.1P64 H65 C71 Y72 W115 Y118P64-A68 WeakPolarHBondContact O-CB 3.39Å; P64-A68 PolarHBondContact O-N 3.28Å; H65-A68 PolarHBondContact O-N 3.05Å; A68-C71 PolarHBondContact O-N 3.2Å; A68-Y72 VanDerWaalsContact O-CB 3.3Å; A68-Y72 WeakPolarHBondContact O-CB 3.33Å; A68-Y72 PolarHBondContact O-N 3.27Å; A68-W115 HydrophobicContact CB-CH2 3.87Å; A68-W115 HydrophobicContact CB-CZ3 3.93Å; A68-Y118 HydrophobicContact CB-CE2 4.14Å; A68-Y118 PolarHBondContact O-OH 3.18Å; A68-Y118 VanDerWaalsContact O-OH 3.12Å
69T90.7Very high92.8Very high14 Ų1427.6 Ų27.69%0.08614%0.144CC..Hα-helixtrans-66.5-42.5178.5-52.40000111.8W32 H65 N66 L67 C71 Y72 K73W32-T69 HydrophobicContact CH2-CG2 3.7Å; W32-T69 HydrophobicContact CZ2-CG2 3.29Å; W32-T69 HydrophobicContact CZ3-CG2 4.49Å; H65-T69 PolarHBondContact CE1-OG1 2.79Å; H65-T69 WeakPolarHBondContact O-CB 3.17Å; H65-T69 PolarHBondContact O-N 3.48Å; H65-T69 PolarHBondContact O-OG1 3.17Å; N66-T69 PolarHBondContact O-N 3.16Å; L67-T69 VanDerWaalsContact C-N 3.29Å; L67-T69 PolarHBondContact O-N 3.26Å; T69-C71 PolarHBondContact O-N 2.81Å; T69-Y72 PolarHBondContact O-N 3.3Å; T69-K73 HydrophobicContact CG2-CG 4.18Å; T69-K73 VanDerWaalsContact O-CB 3.28Å; T69-K73 WeakPolarHBondContact O-CB 3.32Å; T69-K73 VanDerWaalsContact O-CG 3.32Å; T69-K73 WeakPolarHBondContact O-CG 3.12Å; T69-K73 PolarHBondContact O-N 2.68Å
70L93.4Very high92.7Very high4 Ų431.9 Ų31.92%0.02116%0.162CC..Hα-helixtrans-58.4-47.6175.1179.163000111.4L17 W32 F35 N66 L67 K73 A74 I101 L105L17-L70 HydrophobicContact CD1-CD2 3.77Å; W32-L70 HydrophobicContact CE3-CD1 4.22Å; W32-L70 HydrophobicContact CZ3-CB 3.89Å; W32-L70 HydrophobicContact CZ3-CD1 4.17Å; F35-L70 HydrophobicContact CB-CD1 4.22Å; F35-L70 HydrophobicContact CD1-CD1 4.11Å; F35-L70 HydrophobicContact CD2-CD1 3.84Å; F35-L70 HydrophobicContact CE2-CD1 4.33Å; F35-L70 HydrophobicContact CG-CD1 3.75Å; N66-L70 WeakPolarHBondContact O-CB 3.35Å; N66-L70 PolarHBondContact O-N 3.12Å; L67-L70 PolarHBondContact O-N 3.36Å; L70-K73 PolarHBondContact O-N 3.11Å; L70-A74 WeakPolarHBondContact O-CB 3.32Å; L70-A74 PolarHBondContact O-N 3.28Å; L70-I101 HydrophobicContact CD2-CG2 4.4Å; L70-L105 HydrophobicContact CD2-CD1 3.65Å; L70-L105 HydrophobicContact CG-CD1 4.22Å
71C93.9Very high92.6Very high0 Ų031.7 Ų31.70%016%0.163CC..Hα-helixtrans-64.8-45.5177.8-700000111.9L67 A68 T69 K73 A74 I75 L102 M109L67-C71 PolarHBondContact O-N 2.88Å; L67-C71 PolarHBondContact O-SG 3.07Å; A68-C71 PolarHBondContact O-N 3.2Å; T69-C71 PolarHBondContact O-N 2.81Å; C71-K73 PolarHBondContact O-N 3.47Å; C71-A74 PolarHBondContact O-N 3.48Å; C71-I75 WeakPolarHBondContact O-CG1 3.41Å; C71-I75 PolarHBondContact O-N 3.02Å; C71-L102 HydrophobicContact CB-CD2 4.49Å; C71-M109 HydrophobicContact CB-CE 4.28Å; C71-M109 PolarHBondContact SG-SD 3.36Å
72Y92.5Very high92.5Very high23 Ų2326.5 Ų26.59%0.0914%0.139CC..Hα-helixtrans-57.2-49.9175.7174.6-87.2000110.9A68 T69 A74 I75 E76 V123 I133 L139A68-Y72 VanDerWaalsContact O-CB 3.3Å; A68-Y72 WeakPolarHBondContact O-CB 3.33Å; A68-Y72 PolarHBondContact O-N 3.27Å; T69-Y72 PolarHBondContact O-N 3.3Å; Y72-A74 PolarHBondContact O-N 2.83Å; Y72-I75 PolarHBondContact O-N 3.49Å; Y72-E76 HydrophobicContact CE1-CB 4.27Å; Y72-E76 WeakPolarHBondContact CE1-OE1 3.36Å; Y72-E76 WeakPolarHBondContact O-CB 3.41Å; Y72-E76 PolarHBondContact O-N 3.07Å; Y72-E76 PolarHBondContact OH-OE1 3.29Å; Y72-V123 HydrophobicContact CD2-CB 4.4Å; Y72-V123 HydrophobicContact CD2-CG1 3.81Å; Y72-V123 HydrophobicContact CD2-CG2 4.37Å; Y72-V123 HydrophobicContact CE2-CB 4.3Å; Y72-V123 HydrophobicContact CE2-CG1 3.83Å; Y72-I133 HydrophobicContact CD2-CD1 4.26Å; Y72-I133 HydrophobicContact CE2-CD1 3.71Å; Y72-L139 HydrophobicContact CD2-CD1 4.21Å
73K92.8Very high92.2Very high26 Ų2625.6 Ų25.611%0.11313%0.131CC..Hα-helixtrans-64.2-39.8-179.5-77-70.6-177.91780112.9S26 D29 W32 W36 T69 L70 C71 I75 E76 H77S26-K73 WeakPolarHBondContact O-CE 3.37Å; S26-K73 PolarHBondContact O-NZ 3.47Å; D29-K73 IonicContact OD1-NZ 3.2Å; D29-K73 PolarHBondContact OD1-NZ 3.08Å; W32-K73 HydrophobicContact CD2-CG 4.37Å; W32-K73 HydrophobicContact CG-CG 4.3Å; W36-K73 HydrophobicContact CH2-CB 3.97Å; W36-K73 HydrophobicContact CZ3-CB 4.29Å; T69-K73 HydrophobicContact CG2-CG 4.18Å; T69-K73 VanDerWaalsContact O-CB 3.28Å; T69-K73 WeakPolarHBondContact O-CB 3.32Å; T69-K73 VanDerWaalsContact O-CG 3.32Å; T69-K73 WeakPolarHBondContact O-CG 3.12Å; T69-K73 PolarHBondContact O-N 2.68Å; L70-K73 PolarHBondContact O-N 3.11Å; C71-K73 PolarHBondContact O-N 3.47Å; K73-I75 VanDerWaalsContact C-N 3.34Å; K73-I75 PolarHBondContact O-N 2.86Å; K73-E76 WeakPolarHBondContact CD-OE2 3.42Å; K73-E76 IonicContact NZ-OE2 3.54Å; K73-E76 PolarHBondContact NZ-OE2 2.89Å; K73-E76 VanDerWaalsContact NZ-OE2 3.11Å; K73-E76 PolarHBondContact O-N 3.42Å; K73-H77 WeakPolarHBondContact O-CB 3.45Å; K73-H77 PolarHBondContact O-N 2.87Å
74A94.8Very high91.7Very high0 Ų028.4 Ų28.40%015%0.15CC..Hα-helixtrans-62.3-42.8174.200000111.5L70 C71 Y72 H77 L78 C98 L102L70-A74 WeakPolarHBondContact O-CB 3.32Å; L70-A74 PolarHBondContact O-N 3.28Å; C71-A74 PolarHBondContact O-N 3.48Å; Y72-A74 PolarHBondContact O-N 2.83Å; A74-H77 PolarHBondContact O-N 3.02Å; A74-L78 WeakPolarHBondContact O-CG 3.28Å; A74-L78 PolarHBondContact O-N 3.41Å; A74-L78 VanDerWaalsContact O-N 3.08Å; A74-C98 HydrophobicContact CB-CB 4.27Å; A74-L102 HydrophobicContact CB-CD1 4.16Å; A74-L102 HydrophobicContact CB-CD2 4.02Å; A74-L102 HydrophobicContact CB-CG 3.98Å
75I95.3Very high91.1Very high0 Ų025.9 Ų25.90%013%0.134CC..Hα-helixtrans-70.2-38.8178.3-63.5169.7000111.3C71 Y72 K73 H77 L78 A79 L102 F119 L139 V142 L143C71-I75 WeakPolarHBondContact O-CG1 3.41Å; C71-I75 PolarHBondContact O-N 3.02Å; Y72-I75 PolarHBondContact O-N 3.49Å; K73-I75 VanDerWaalsContact C-N 3.34Å; K73-I75 PolarHBondContact O-N 2.86Å; I75-H77 VanDerWaalsContact C-N 3.31Å; I75-H77 PolarHBondContact O-N 2.81Å; I75-L78 PolarHBondContact O-N 3.31Å; I75-A79 WeakPolarHBondContact O-CB 3.36Å; I75-A79 PolarHBondContact O-N 3.13Å; I75-L102 HydrophobicContact CD1-CD2 4.35Å; I75-L102 HydrophobicContact CG1-CD1 3.89Å; I75-L102 HydrophobicContact CG1-CD2 4.05Å; I75-F119 HydrophobicContact CD1-CE1 4.49Å; I75-L139 HydrophobicContact CB-CD1 3.89Å; I75-L139 HydrophobicContact CD1-CD1 3.7Å; I75-L139 HydrophobicContact CD1-CD2 3.77Å; I75-L139 HydrophobicContact CD1-CG 3.5Å; I75-L139 VanDerWaalsContact CD1-CG 3.5Å; I75-L139 HydrophobicContact CG1-CD1 4.38Å; I75-L139 HydrophobicContact CG2-CD1 3.63Å; I75-L139 HydrophobicContact CG2-CG 4.44Å; I75-V142 HydrophobicContact CG2-CB 4.24Å; I75-V142 HydrophobicContact CG2-CG1 3.85Å; I75-L143 HydrophobicContact CD1-CB 4.19Å; I75-L143 HydrophobicContact CD1-CD2 4.06Å; I75-L143 HydrophobicContact CG1-CB 4.37Å; I75-L143 HydrophobicContact CG1-CD1 4.16Å; I75-L143 HydrophobicContact CG1-CD2 4.41Å; I75-L143 HydrophobicContact CG2-CB 4.17Å
76E92.5Very high90.9Very high24 Ų2421.5 Ų21.511%0.11211%0.114CC..Hα-helixtrans-58.6-42.7172.1-179173.7-103.300110.9Y72 K73 A79 K80 I132 I133Y72-E76 HydrophobicContact CE1-CB 4.27Å; Y72-E76 WeakPolarHBondContact CE1-OE1 3.36Å; Y72-E76 WeakPolarHBondContact O-CB 3.41Å; Y72-E76 PolarHBondContact O-N 3.07Å; Y72-E76 PolarHBondContact OH-OE1 3.29Å; K73-E76 WeakPolarHBondContact CD-OE2 3.42Å; K73-E76 IonicContact NZ-OE2 3.54Å; K73-E76 PolarHBondContact NZ-OE2 2.89Å; K73-E76 VanDerWaalsContact NZ-OE2 3.11Å; K73-E76 PolarHBondContact O-N 3.42Å; E76-A79 PolarHBondContact O-N 3.29Å; E76-K80 WeakPolarHBondContact O-CB 3.08Å; E76-K80 PolarHBondContact O-N 3.45Å; E76-I132 HydrophobicContact CG-CB 4.38Å; E76-I132 HydrophobicContact CG-CD1 4.13Å; E76-I133 HydrophobicContact CB-CD1 4.04Å
77H93.5Very high90.4Very high35 Ų3527.2 Ų27.216%0.16214%0.141CC..Hα-helixtrans-65-41.9176.7-156.458.6000112.2W36 K73 A74 I75 K80 A81 E94W36-H77 AromaticContact CD1-NE2 3.72Å; W36-H77 AromaticContact NE1-CE1 3.91Å; W36-H77 AromaticContact NE1-NE2 3.89Å; K73-H77 WeakPolarHBondContact O-CB 3.45Å; K73-H77 PolarHBondContact O-N 2.87Å; A74-H77 PolarHBondContact O-N 3.02Å; I75-H77 VanDerWaalsContact C-N 3.31Å; I75-H77 PolarHBondContact O-N 2.81Å; H77-K80 PolarHBondContact O-N 3.47Å; H77-A81 WeakPolarHBondContact O-CB 3.49Å; H77-A81 PolarHBondContact O-N 2.96Å; H77-E94 IonicContact CE1-OE2 2.7Å; H77-E94 PolarHBondContact CE1-OE2 2.77Å; H77-E94 IonicContact NE2-OE2 2.84Å; H77-E94 PolarHBondContact NE2-OE2 3.45Å
78L95.1Very high90.2Very high0 Ų029.2 Ų29.20%016%0.155CC..Hα-helixtrans-61.8-43.3173.3-63.9-177.9000111.9A74 I75 A81 C82 V95 C98 V99 L102 L143 L150 L207A74-L78 WeakPolarHBondContact O-CG 3.28Å; A74-L78 PolarHBondContact O-N 3.41Å; A74-L78 VanDerWaalsContact O-N 3.08Å; I75-L78 PolarHBondContact O-N 3.31Å; L78-A81 PolarHBondContact O-N 3.21Å; L78-C82 PolarHBondContact O-N 3.04Å; L78-C82 PolarHBondContact O-SG 2.98Å; L78-V95 HydrophobicContact CD2-CB 4.4Å; L78-V95 HydrophobicContact CD2-CG1 3.74Å; L78-C98 HydrophobicContact CD2-CB 3.88Å; L78-C98 HydrophobicContact CG-CB 4.21Å; L78-V99 HydrophobicContact CD1-CG2 4.49Å; L78-V99 HydrophobicContact CD2-CG2 3.99Å; L78-L102 HydrophobicContact CD1-CD1 3.68Å; L78-L143 HydrophobicContact CD1-CD1 3.86Å; L78-L150 HydrophobicContact CB-CD1 4.41Å; L78-L150 HydrophobicContact CD2-CD1 3.95Å; L78-L207 HydrophobicContact CD1-CD2 4.47Å
79A92.6Very high90.1Very high7 Ų733 Ų336%0.05818%0.176CC..Hα-helixtrans-65.3-39.6177.900000111.8I75 E76 C82 Q83 I132 V142 S146I75-A79 WeakPolarHBondContact O-CB 3.36Å; I75-A79 PolarHBondContact O-N 3.13Å; E76-A79 PolarHBondContact O-N 3.29Å; A79-C82 WeakPolarHBondContact O-CB 3.08Å; A79-C82 PolarHBondContact O-N 3.3Å; A79-Q83 PolarHBondContact O-N 3.06Å; A79-I132 HydrophobicContact CB-CG2 3.93Å; A79-V142 HydrophobicContact CB-CG1 3.98Å; A79-S146 WeakPolarHBondContact CA-OG 3.27Å
80K91.3Very high90.1Very high102 Ų10236.8 Ų36.844%0.44320%0.196SC..Hα-helixtrans-62.5-46.7175.1-170.7178.8178-178.10111.8E76 H77 C82 Q83 C84 I132E76-K80 WeakPolarHBondContact O-CB 3.08Å; E76-K80 PolarHBondContact O-N 3.45Å; H77-K80 PolarHBondContact O-N 3.47Å; K80-C82 PolarHBondContact O-N 3.47Å; K80-Q83 PolarHBondContact O-N 2.98Å; K80-C84 PolarHBondContact O-N 2.95Å; K80-I132 HydrophobicContact CB-CD1 3.77Å; K80-I132 HydrophobicContact CD-CD1 3.93Å; K80-I132 HydrophobicContact CG-CD1 3.83Å
81A91.2Very high90Very high9 Ų940 Ų407%0.07421%0.211CC..Hα-helixtrans-57-32.9175.200000112.1H77 L78 Q83 G85 L86 V95H77-A81 WeakPolarHBondContact O-CB 3.49Å; H77-A81 PolarHBondContact O-N 2.96Å; L78-A81 PolarHBondContact O-N 3.21Å; A81-Q83 VanDerWaalsContact C-N 3.32Å; A81-Q83 PolarHBondContact O-N 3.28Å; A81-G85 PolarHBondContact O-N 3.11Å; A81-G85 VanDerWaalsContact O-N 3.16Å; A81-L86 HydrophobicContact CB-CD2 3.91Å; A81-L86 HydrophobicContact CB-CG 4.34Å; A81-V95 HydrophobicContact CB-CG2 3.49Å; A81-V95 VanDerWaalsContact CB-CG2 3.49Å
82C90Very high89.9Confident7 Ų740.8 Ų40.85%0.04722%0.215CC..Hα-helixtrans-71.8-24.2175.6-62.50000114.1L78 A79 K80 S146 N149 L171L78-C82 PolarHBondContact O-N 3.04Å; L78-C82 PolarHBondContact O-SG 2.98Å; A79-C82 WeakPolarHBondContact O-CB 3.08Å; A79-C82 PolarHBondContact O-N 3.3Å; K80-C82 PolarHBondContact O-N 3.47Å; C82-S146 PolarHBondContact SG-O 3.31Å; C82-N149 HydrophobicContact CB-CB 4.2Å; C82-L171 HydrophobicContact CB-CD1 4.09Å; C82-L171 WeakPolarHBondContact O-CB 3.42Å; C82-L171 VanDerWaalsContact O-CD1 3.3Å; C82-L171 WeakPolarHBondContact O-CD1 3.39Å; C82-L171 WeakPolarHBondContact O-CG 3.15Å
83Q85.7Confident90Very high94 Ų9442.1 Ų42.144%0.43922%0.222SC..Hα-helixtrans-93.5-31.8-178.7-67.7178.48.900112.8A79 K80 A81A79-Q83 PolarHBondContact O-N 3.06Å; K80-Q83 PolarHBondContact O-N 2.98Å; A81-Q83 VanDerWaalsContact C-N 3.32Å; A81-Q83 PolarHBondContact O-N 3.28Å
84C82.9Confident90Very high71 Ų7142.3 Ų42.348%0.4822%0.223SC..Hα-helixtrans-98.9-11.4-176.1-59.90000113.8K80 H87K80-C84 PolarHBondContact O-N 2.95Å; C84-H87 PolarHBondContact O-NE2 3.3Å
85G78.6Confident90.1Very high8 Ų842.4 Ų42.48%0.08222%0.223CC..  trans78.1171.1-170.300000113.2A81A81-G85 PolarHBondContact O-N 3.11Å; A81-G85 VanDerWaalsContact O-N 3.16Å
86L85.8Confident90.1Very high10 Ų1042.6 Ų42.65%0.05222%0.224CC..  trans-124.398.1-179.8-71.5173.3000110A81 E91 Q92 V95 L150 F156A81-L86 HydrophobicContact CB-CD2 3.91Å; A81-L86 HydrophobicContact CB-CG 4.34Å; L86-E91 HydrophobicContact CD2-CB 3.77Å; L86-Q92 HydrophobicContact CB-CG 4.1Å; L86-V95 HydrophobicContact CD1-CG2 4.29Å; L86-V95 HydrophobicContact CD2-CG2 3.75Å; L86-L150 HydrophobicContact CD1-CD2 3.85Å; L86-F156 HydrophobicContact CD1-CB 3.98Å; L86-F156 HydrophobicContact CD1-CD1 3.58Å; L86-F156 HydrophobicContact CD1-CD2 3.86Å; L86-F156 HydrophobicContact CD1-CE1 3.96Å; L86-F156 HydrophobicContact CD1-CE2 4.21Å; L86-F156 HydrophobicContact CD1-CG 3.52Å; L86-F156 HydrophobicContact CD1-CZ 4.27Å
87H81.9Confident90.2Very high120 Ų12041.4 Ų41.456%0.55622%0.219SC*.  trans-103.7-24.5-170-56.7-52.1000113.5C84 E91 V167C84-H87 PolarHBondContact O-NE2 3.3Å; H87-E91 PolarHBondContact N-OE2 2.93Å; H87-V167 WeakPolarHBondContact CE1-CG1 3.11Å
88S88.9Confident90.4Very high43 Ų4339.8 Ų39.830%0.30121%0.211SC..SBendtrans-113.3150.9-179.470.80000112.3N90 E91 Q92S88-N90 PolarHBondContact O-N 3.16Å; S88-E91 PolarHBondContact N-OE2 3.33Å; S88-E91 PolarHBondContact O-N 3.26Å; S88-E91 WeakPolarHBondContact OG-CG 3.38Å; S88-E91 PolarHBondContact OG-N 2.89Å; S88-E91 VanDerWaalsContact OG-N 3.11Å; S88-E91 PolarHBondContact OG-OE2 2.94Å; S88-Q92 WeakPolarHBondContact O-CG 3.35Å; S88-Q92 PolarHBondContact O-N 3.5Å; S88-Q92 VanDerWaalsContact O-N 3.12Å
89V88.8Confident90.5Very high97 Ų9739.8 Ų39.859%0.58821%0.211SC*.Hα-helixtrans-57.4-33.1171.8-175.50000110.8Q92 Q93V89-Q92 PolarHBondContact O-N 3.16Å; V89-Q93 WeakPolarHBondContact O-CG 3.31Å; V89-Q93 PolarHBondContact O-N 3.32Å
90N90.4Very high90.7Very high92 Ų9239.8 Ų39.849%0.49221%0.21SC..Hα-helixtrans-64.4-51.7177.8-72.5-14.3000111.5P38 S88 Q92 Q93 E94P38-N90 HydrophobicContact CB-CB 4.4Å; P38-N90 HydrophobicContact CG-CB 3.75Å; S88-N90 PolarHBondContact O-N 3.16Å; N90-Q92 VanDerWaalsContact C-N 3.27Å; N90-Q92 PolarHBondContact O-N 3.49Å; N90-Q93 PolarHBondContact O-N 3.25Å; N90-E94 WeakPolarHBondContact O-CG 3.24Å; N90-E94 PolarHBondContact O-N 3.31Å
91E91.3Very high90.9Very high73 Ų7335 Ų3534%0.34119%0.189SC..Hα-helixtrans-58.7-40.1176.9-69.7158.2158.800111.7L86 H87 S88 Q93 E94 V95L86-E91 HydrophobicContact CD2-CB 3.77Å; H87-E91 PolarHBondContact N-OE2 2.93Å; S88-E91 PolarHBondContact N-OE2 3.33Å; S88-E91 PolarHBondContact O-N 3.26Å; S88-E91 WeakPolarHBondContact OG-CG 3.38Å; S88-E91 PolarHBondContact OG-N 2.89Å; S88-E91 VanDerWaalsContact OG-N 3.11Å; S88-E91 PolarHBondContact OG-OE2 2.94Å; E91-Q93 VanDerWaalsContact C-N 3.32Å; E91-Q93 PolarHBondContact O-N 3.46Å; E91-E94 PolarHBondContact O-N 2.99Å; E91-V95 PolarHBondContact O-N 3.18Å
92Q93.2Very high91.2Very high16 Ų1634.6 Ų34.68%0.07519%0.186CC..Hα-helixtrans-60.7-41.2175.3-66.6178.4-1.900111.6L86 S88 V89 N90 L96 D155 F156L86-Q92 HydrophobicContact CB-CG 4.1Å; S88-Q92 WeakPolarHBondContact O-CG 3.35Å; S88-Q92 PolarHBondContact O-N 3.5Å; S88-Q92 VanDerWaalsContact O-N 3.12Å; V89-Q92 PolarHBondContact O-N 3.16Å; N90-Q92 VanDerWaalsContact C-N 3.27Å; N90-Q92 PolarHBondContact O-N 3.49Å; Q92-L96 VanDerWaalsContact O-CG 3.29Å; Q92-L96 WeakPolarHBondContact O-CG 3.45Å; Q92-L96 PolarHBondContact O-N 3.39Å; Q92-L96 VanDerWaalsContact O-N 3.11Å; Q92-D155 PolarHBondContact NE2-O 2.96Å; Q92-F156 HydrophobicContact CB-CD2 4.04Å; Q92-F156 HydrophobicContact CB-CE2 4.01Å; Q92-F156 HydrophobicContact CG-CD2 3.69Å; Q92-F156 HydrophobicContact CG-CE2 4.17Å
93Q93.2Very high91.5Very high51 Ų5134.4 Ų34.424%0.23818%0.184CC..Hα-helixtrans-70.1-36.8175.7-69-61.2-15.900112.6P38 V89 N90 E91 V95 L96 N97P38-Q93 HydrophobicContact CB-CB 4Å; V89-Q93 WeakPolarHBondContact O-CG 3.31Å; V89-Q93 PolarHBondContact O-N 3.32Å; N90-Q93 PolarHBondContact O-N 3.25Å; E91-Q93 VanDerWaalsContact C-N 3.32Å; E91-Q93 PolarHBondContact O-N 3.46Å; Q93-V95 VanDerWaalsContact C-N 3.34Å; Q93-V95 PolarHBondContact O-N 3.18Å; Q93-L96 PolarHBondContact O-N 3.29Å; Q93-N97 WeakPolarHBondContact O-CB 3.36Å; Q93-N97 PolarHBondContact O-N 2.84Å; Q93-N97 PolarHBondContact O-ND2 2.64Å
94E93.8Very high92Very high30 Ų3030.2 Ų30.214%0.1417%0.165CC..Hα-helixtrans-60.1-45.5174.7-65.5-176174.700111.5W36 P38 H77 N90 E91 L96 N97 C98W36-E94 HydrophobicContact CB-CB 4.25Å; W36-E94 WeakPolarHBondContact O-CA 3.28Å; W36-E94 WeakPolarHBondContact O-CG 3.4Å; P38-E94 HydrophobicContact CG-CG 3.95Å; H77-E94 IonicContact CE1-OE2 2.7Å; H77-E94 PolarHBondContact CE1-OE2 2.77Å; H77-E94 IonicContact NE2-OE2 2.84Å; H77-E94 PolarHBondContact NE2-OE2 3.45Å; N90-E94 WeakPolarHBondContact O-CG 3.24Å; N90-E94 PolarHBondContact O-N 3.31Å; E91-E94 PolarHBondContact O-N 2.99Å; E94-L96 PolarHBondContact O-N 3.4Å; E94-N97 PolarHBondContact O-N 3.43Å; E94-C98 PolarHBondContact O-N 3.15Å; E94-C98 PolarHBondContact O-SG 3.01Å
95V95.2Very high92.6Very high1 Ų126.9 Ų26.91%0.00614%0.142CC..Hα-helixtrans-59.2-47.4174.6165.60000111.4L78 A81 L86 E91 Q93 N97 C98 V99 L150 F156L78-V95 HydrophobicContact CD2-CB 4.4Å; L78-V95 HydrophobicContact CD2-CG1 3.74Å; A81-V95 HydrophobicContact CB-CG2 3.49Å; A81-V95 VanDerWaalsContact CB-CG2 3.49Å; L86-V95 HydrophobicContact CD1-CG2 4.29Å; L86-V95 HydrophobicContact CD2-CG2 3.75Å; E91-V95 PolarHBondContact O-N 3.18Å; Q93-V95 VanDerWaalsContact C-N 3.34Å; Q93-V95 PolarHBondContact O-N 3.18Å; V95-N97 VanDerWaalsContact C-N 3.28Å; V95-N97 PolarHBondContact O-N 2.91Å; V95-C98 WeakPolarHBondContact O-CB 3.45Å; V95-C98 PolarHBondContact O-N 3.13Å; V95-V99 WeakPolarHBondContact O-CG2 3.44Å; V95-V99 PolarHBondContact O-N 3.2Å; V95-L150 HydrophobicContact CG1-CD1 3.82Å; V95-L150 HydrophobicContact CG1-CD2 4.29Å; V95-F156 HydrophobicContact CG1-CE1 4.26Å; V95-F156 HydrophobicContact CG1-CZ 3.96Å
96L96Very high93.5Very high4 Ų426.5 Ų26.52%0.02114%0.138CC..Hα-helixtrans-62.1-36.7177.8-69.1171.8000111.9Q92 Q93 E94 V99 R100 F156 R200 E203Q92-L96 VanDerWaalsContact O-CG 3.29Å; Q92-L96 WeakPolarHBondContact O-CG 3.45Å; Q92-L96 PolarHBondContact O-N 3.39Å; Q92-L96 VanDerWaalsContact O-N 3.11Å; Q93-L96 PolarHBondContact O-N 3.29Å; E94-L96 PolarHBondContact O-N 3.4Å; L96-V99 WeakPolarHBondContact O-CB 3.4Å; L96-V99 PolarHBondContact O-N 3.48Å; L96-R100 WeakPolarHBondContact O-CD 3.33Å; L96-R100 WeakPolarHBondContact O-CG 3.5Å; L96-R100 PolarHBondContact O-N 3.32Å; L96-F156 HydrophobicContact CD2-CZ 4.18Å; L96-F156 HydrophobicContact CG-CE2 4.45Å; L96-F156 HydrophobicContact CG-CZ 4.41Å; L96-R200 HydrophobicContact CD1-CG 4.12Å; L96-R200 HydrophobicContact CD2-CB 4.39Å; L96-R200 HydrophobicContact CD2-CG 4.2Å; L96-E203 HydrophobicContact CD2-CB 4.3Å
97N95.5Very high94.1Very high0 Ų026 Ų260%014%0.135CC..Hα-helixtrans-66.1-40.9175.9-69-18.4000111.9W36 Q37 I41 Q93 E94 V95 V99 R100 I101W36-N97 HydrophobicContact CB-CB 4.19Å; W36-N97 PolarHBondContact O-ND2 3.1Å; Q37-N97 PolarHBondContact O-ND2 3.3Å; I41-N97 WeakPolarHBondContact CB-OD1 3.45Å; I41-N97 HydrophobicContact CD1-CB 4.22Å; I41-N97 PolarHBondContact O-OD1 3.26Å; Q93-N97 WeakPolarHBondContact O-CB 3.36Å; Q93-N97 PolarHBondContact O-N 2.84Å; Q93-N97 PolarHBondContact O-ND2 2.64Å; E94-N97 PolarHBondContact O-N 3.43Å; V95-N97 VanDerWaalsContact C-N 3.28Å; V95-N97 PolarHBondContact O-N 2.91Å; N97-V99 VanDerWaalsContact C-N 3.32Å; N97-V99 PolarHBondContact O-N 3.23Å; N97-R100 PolarHBondContact O-N 3.45Å; N97-R100 PolarHBondContact OD1-NH1 3.43Å; N97-I101 WeakPolarHBondContact O-CB 3.35Å; N97-I101 WeakPolarHBondContact O-CD1 3.34Å; N97-I101 VanDerWaalsContact O-CG1 3.26Å; N97-I101 WeakPolarHBondContact O-CG1 3.27Å; N97-I101 PolarHBondContact O-N 2.84Å
98C96.6Very high94.8Very high0 Ų020.3 Ų20.30%011%0.109CC..Hα-helixtrans-58.8-43.2169.9-67.90000111.7A74 L78 E94 V95 R100 I101 L102A74-C98 HydrophobicContact CB-CB 4.27Å; L78-C98 HydrophobicContact CD2-CB 3.88Å; L78-C98 HydrophobicContact CG-CB 4.21Å; E94-C98 PolarHBondContact O-N 3.15Å; E94-C98 PolarHBondContact O-SG 3.01Å; V95-C98 WeakPolarHBondContact O-CB 3.45Å; V95-C98 PolarHBondContact O-N 3.13Å; C98-R100 PolarHBondContact O-N 3.47Å; C98-I101 PolarHBondContact O-N 2.75Å; C98-L102 WeakPolarHBondContact O-CB 3.42Å; C98-L102 VanDerWaalsContact O-CG 3.31Å; C98-L102 WeakPolarHBondContact O-CG 3.38Å; C98-L102 PolarHBondContact O-N 2.99Å
99V97.4Very high95.1Very high1 Ų118.3 Ų18.31%0.00610%0.095CC..Hα-helixtrans-60.7-45.7177.3170.80000111.4L78 V95 L96 N97 L102 T103 E203 L204 L207L78-V99 HydrophobicContact CD1-CG2 4.49Å; L78-V99 HydrophobicContact CD2-CG2 3.99Å; V95-V99 WeakPolarHBondContact O-CG2 3.44Å; V95-V99 PolarHBondContact O-N 3.2Å; L96-V99 WeakPolarHBondContact O-CB 3.4Å; L96-V99 PolarHBondContact O-N 3.48Å; N97-V99 VanDerWaalsContact C-N 3.32Å; N97-V99 PolarHBondContact O-N 3.23Å; V99-L102 PolarHBondContact O-N 2.53Å; V99-T103 WeakPolarHBondContact O-CB 3.3Å; V99-T103 PolarHBondContact O-N 3.47Å; V99-T103 PolarHBondContact O-OG1 2.74Å; V99-E203 HydrophobicContact CG1-CB 4.23Å; V99-E203 WeakPolarHBondContact CG1-O 3.43Å; V99-L204 HydrophobicContact CG2-CD2 3.72Å; V99-L207 HydrophobicContact CB-CD2 4.22Å; V99-L207 HydrophobicContact CG1-CB 3.89Å; V99-L207 HydrophobicContact CG1-CD2 3.94Å; V99-L207 HydrophobicContact CG2-CD2 4.14Å
100R96.3Very high95.5Very high7 Ų713.7 Ų13.73%0.0267%0.067CC..Hα-helixtrans-63-44.8178.2-69.6164.3-171.2166.8-2.8111.9I41 K42 V44 I47 L96 N97 C98 T103 R104 E203I41-R100 PolarHBondContact O-NH1 3.03Å; I41-R100 VanDerWaalsContact O-NH1 3.13Å; K42-R100 PolarHBondContact O-NH1 3.02Å; K42-R100 PolarHBondContact O-NH2 3.49Å; V44-R100 HydrophobicContact CB-CG 4.3Å; V44-R100 HydrophobicContact CG2-CG 4.24Å; I47-R100 HydrophobicContact CB-CB 4.33Å; I47-R100 HydrophobicContact CG2-CB 3.95Å; L96-R100 WeakPolarHBondContact O-CD 3.33Å; L96-R100 WeakPolarHBondContact O-CG 3.5Å; L96-R100 PolarHBondContact O-N 3.32Å; N97-R100 PolarHBondContact O-N 3.45Å; N97-R100 PolarHBondContact OD1-NH1 3.43Å; C98-R100 PolarHBondContact O-N 3.47Å; R100-T103 PolarHBondContact O-N 3.14Å; R100-R104 WeakPolarHBondContact O-CB 3.34Å; R100-R104 PolarHBondContact O-N 3.35Å; R100-E203 WeakPolarHBondContact CG-OE2 3.45Å; R100-E203 IonicContact CZ-OE1 3.94Å; R100-E203 IonicContact CZ-OE2 3.56Å; R100-E203 IonicContact NE-OE1 3.81Å; R100-E203 IonicContact NE-OE2 2.82Å; R100-E203 PolarHBondContact NE-OE2 3.21Å; R100-E203 IonicContact NH2-OE1 3.45Å; R100-E203 PolarHBondContact NH2-OE1 3.45Å; R100-E203 IonicContact NH2-OE2 3.75Å
101I95.9Very high95.8Very high1 Ų19.5 Ų9.51%0.0054%0.044CC..Hα-helixtrans-60.8-50.8176.8-71.1163.6000110.3F10 F35 I47 L70 N97 C98 T103 R104 L105F10-I101 HydrophobicContact CE2-CD1 4.27Å; F35-I101 HydrophobicContact CB-CD1 3.9Å; F35-I101 WeakPolarHBondContact O-CD1 3.46Å; I47-I101 HydrophobicContact CD1-CG1 3.79Å; I47-I101 HydrophobicContact CG1-CG1 4.4Å; L70-I101 HydrophobicContact CD2-CG2 4.4Å; N97-I101 WeakPolarHBondContact O-CB 3.35Å; N97-I101 WeakPolarHBondContact O-CD1 3.34Å; N97-I101 VanDerWaalsContact O-CG1 3.26Å; N97-I101 WeakPolarHBondContact O-CG1 3.27Å; N97-I101 PolarHBondContact O-N 2.84Å; C98-I101 PolarHBondContact O-N 2.75Å; I101-T103 VanDerWaalsContact C-N 3.33Å; I101-T103 PolarHBondContact O-N 3.19Å; I101-R104 WeakPolarHBondContact O-CB 3.45Å; I101-R104 PolarHBondContact O-N 2.87Å; I101-R104 VanDerWaalsContact O-N 3.08Å; I101-L105 HydrophobicContact CG2-CD1 3.52Å; I101-L105 HydrophobicContact CG2-CG 4.12Å; I101-L105 VanDerWaalsContact O-CG 3.31Å; I101-L105 WeakPolarHBondContact O-CG 3.49Å; I101-L105 PolarHBondContact O-N 3.48Å
102L97.6Very high95.9Very high0 Ų09.2 Ų9.20%04%0.043CC..Hα-helixtrans-61.5-43.1179.4-69.6170.3000111.5C71 A74 I75 L78 C98 V99 R104 L105 L106 L143 L207C71-L102 HydrophobicContact CB-CD2 4.49Å; A74-L102 HydrophobicContact CB-CD1 4.16Å; A74-L102 HydrophobicContact CB-CD2 4.02Å; A74-L102 HydrophobicContact CB-CG 3.98Å; I75-L102 HydrophobicContact CD1-CD2 4.35Å; I75-L102 HydrophobicContact CG1-CD1 3.89Å; I75-L102 HydrophobicContact CG1-CD2 4.05Å; L78-L102 HydrophobicContact CD1-CD1 3.68Å; C98-L102 WeakPolarHBondContact O-CB 3.42Å; C98-L102 VanDerWaalsContact O-CG 3.31Å; C98-L102 WeakPolarHBondContact O-CG 3.38Å; C98-L102 PolarHBondContact O-N 2.99Å; V99-L102 PolarHBondContact O-N 2.53Å; L102-R104 PolarHBondContact O-N 2.84Å; L102-L105 PolarHBondContact O-N 3.29Å; L102-L106 WeakPolarHBondContact O-CB 3.35Å; L102-L106 VanDerWaalsContact O-CG 3.24Å; L102-L106 WeakPolarHBondContact O-CG 3.48Å; L102-L106 PolarHBondContact O-N 2.92Å; L102-L143 HydrophobicContact CD1-CD1 3.97Å; L102-L207 HydrophobicContact CB-CD1 3.62Å; L102-L207 HydrophobicContact CB-CD2 4.13Å; L102-L207 HydrophobicContact CD1-CD2 4.17Å
103T96.9Very high95.9Very high3 Ų312.3 Ų12.32%0.0187%0.065CC..Hα-helixtrans-58-34.4176.5-57.60000111.3V99 R100 I101 P107 L207 I751V99-T103 WeakPolarHBondContact O-CB 3.3Å; V99-T103 PolarHBondContact O-N 3.47Å; V99-T103 PolarHBondContact O-OG1 2.74Å; R100-T103 PolarHBondContact O-N 3.14Å; I101-T103 VanDerWaalsContact C-N 3.33Å; I101-T103 PolarHBondContact O-N 3.19Å; T103-P107 VanDerWaalsContact O-CD 3.31Å; T103-P107 WeakPolarHBondContact O-CD 3.25Å; T103-L207 WeakPolarHBondContact OG1-CB 3.35Å; T103-I751 HydrophobicContact CG2-CD1 4.19Å; T103-I751 HydrophobicContact CG2-CG1 4.26Å; T103-I751 HydrophobicContact CG2-CG2 4.48Å
104R95.8Very high95.8Very high7 Ų717.8 Ų17.83%0.0269%0.09CC..Hα-helixtrans-78.4-38.6178.2-178.658.2-175.2143.93.5113.4I47 F48 I51 S53 I56 R100 I101 L102 H108I47-R104 HydrophobicContact CG1-CB 4.09Å; I47-R104 HydrophobicContact CG1-CG 4.33Å; I47-R104 HydrophobicContact CG2-CB 4.32Å; F48-R104 HydrophobicContact CE2-CB 4.44Å; I51-R104 HydrophobicContact CB-CG 4.32Å; I51-R104 PolarHBondContact O-NE 3.42Å; I51-R104 PolarHBondContact O-NH2 3.34Å; S53-R104 VanDerWaalsContact CA-NH2 3.31Å; S53-R104 PolarHBondContact OG-NH2 2.88Å; I56-R104 HydrophobicContact CD1-CG 3.94Å; R100-R104 WeakPolarHBondContact O-CB 3.34Å; R100-R104 PolarHBondContact O-N 3.35Å; I101-R104 WeakPolarHBondContact O-CB 3.45Å; I101-R104 PolarHBondContact O-N 2.87Å; I101-R104 VanDerWaalsContact O-N 3.08Å; L102-R104 PolarHBondContact O-N 2.84Å; R104-H108 PolarHBondContact NH1-NE2 3.35Å; R104-H108 VanDerWaalsContact NH1-NE2 3.13Å; R104-H108 PolarHBondContact O-CD2 3.34Å
105L96.7Very high95.8Very high1 Ų117.4 Ų17.41%0.0059%0.087CC..Hα-helixtrans-82.7-41.9-173-65.8177.6000113.5I56 L67 L70 I101 L102 H108 M109I56-L105 HydrophobicContact CD1-CD2 4.07Å; I56-L105 HydrophobicContact CG1-CD2 3.99Å; I56-L105 HydrophobicContact CG2-CD2 3.9Å; L67-L105 HydrophobicContact CD1-CD1 4.1Å; L67-L105 HydrophobicContact CD1-CD2 4.17Å; L70-L105 HydrophobicContact CD2-CD1 3.65Å; L70-L105 HydrophobicContact CG-CD1 4.22Å; I101-L105 HydrophobicContact CG2-CD1 3.52Å; I101-L105 HydrophobicContact CG2-CG 4.12Å; I101-L105 VanDerWaalsContact O-CG 3.31Å; I101-L105 WeakPolarHBondContact O-CG 3.49Å; I101-L105 PolarHBondContact O-N 3.48Å; L102-L105 PolarHBondContact O-N 3.29Å; L105-H108 PolarHBondContact O-N 3.35Å; L105-H108 VanDerWaalsContact O-N 3.11Å; L105-M109 HydrophobicContact CB-SD 4.26Å; L105-M109 WeakPolarHBondContact O-CG 3.49Å; L105-M109 PolarHBondContact O-N 2.89Å
106L97.3Very high95.7Very high0 Ų018.2 Ų18.20%09%0.09CC..Hα-helixtrans-54.9-45.4-171.8-71179.2000114.1L102 H108 M109 F110 F119 L143 L207 T210L102-L106 WeakPolarHBondContact O-CB 3.35Å; L102-L106 VanDerWaalsContact O-CG 3.24Å; L102-L106 WeakPolarHBondContact O-CG 3.48Å; L102-L106 PolarHBondContact O-N 2.92Å; L106-H108 VanDerWaalsContact C-N 3.26Å; L106-H108 PolarHBondContact O-N 3.31Å; L106-M109 HydrophobicContact CD2-SD 4.31Å; L106-M109 PolarHBondContact O-N 3.43Å; L106-M109 VanDerWaalsContact O-N 3.07Å; L106-F110 HydrophobicContact CB-CE2 3.99Å; L106-F110 HydrophobicContact CB-CZ 4.2Å; L106-F110 HydrophobicContact CD2-CZ 4.3Å; L106-F110 VanDerWaalsContact O-CD2 3.32Å; L106-F110 WeakPolarHBondContact O-CD2 3.07Å; L106-F110 VanDerWaalsContact O-CG 3.28Å; L106-F110 WeakPolarHBondContact O-CG 3.35Å; L106-F110 PolarHBondContact O-N 3.39Å; L106-F119 HydrophobicContact CD2-CE1 3.71Å; L106-F119 HydrophobicContact CD2-CE2 3.84Å; L106-F119 HydrophobicContact CD2-CZ 3.2Å; L106-L143 HydrophobicContact CD1-CD2 4.2Å; L106-L207 HydrophobicContact CD1-CD1 3.78Å; L106-T210 HydrophobicContact CB-CG2 4.01Å; L106-T210 HydrophobicContact CD1-CG2 4.49Å
107P97.2Very high95.4Very high0 Ų019.6 Ų19.60%011%0.105CC..Hα-helixtrans-51.3-44.6176.5-31.439.5000113.3T103 F110 E111 T210 Y217 I751T103-P107 VanDerWaalsContact O-CD 3.31Å; T103-P107 WeakPolarHBondContact O-CD 3.25Å; P107-F110 PolarHBondContact O-N 3.24Å; P107-E111 PolarHBondContact O-N 2.97Å; P107-T210 HydrophobicContact CG-CG2 3.78Å; P107-Y217 WeakPolarHBondContact CA-OH 3.43Å; P107-Y217 WeakPolarHBondContact CB-OH 3.39Å; P107-Y217 WeakPolarHBondContact O-CE1 3.49Å; P107-Y217 PolarHBondContact O-OH 3.33Å; P107-I751 HydrophobicContact CG-CG2 3.93Å; P107-I751 WeakPolarHBondContact CG-O 3.43Å
108H96.7Very high95.2Very high0 Ų021.8 Ų21.80%011%0.114CC..Hα-helixtrans-76-31.1-179.6-61.3-62.5000112.3I56 R60 R104 L105 L106 F110 E111I56-H108 HydrophobicContact CB-CB 4.28Å; I56-H108 WeakPolarHBondContact CD1-CD2 3.47Å; I56-H108 HydrophobicContact CG2-CB 3.55Å; R60-H108 PolarHBondContact NH1-O 2.92Å; R104-H108 PolarHBondContact NH1-NE2 3.35Å; R104-H108 VanDerWaalsContact NH1-NE2 3.13Å; R104-H108 PolarHBondContact O-CD2 3.34Å; L105-H108 PolarHBondContact O-N 3.35Å; L105-H108 VanDerWaalsContact O-N 3.11Å; L106-H108 VanDerWaalsContact C-N 3.26Å; L106-H108 PolarHBondContact O-N 3.31Å; H108-F110 VanDerWaalsContact C-N 3.33Å; H108-E111 IonicContact ND1-OE1 3.3Å; H108-E111 PolarHBondContact ND1-OE1 3.43Å; H108-E111 WeakPolarHBondContact O-CB 3.35Å; H108-E111 PolarHBondContact O-N 3.21Å
109M96.5Very high95.1Very high0 Ų021.8 Ų21.80%011%0.114CC..Hα-helixtrans-65.5-41.1172.4-64.5173.279.500110.6L67 C71 L105 L106 E111 E112 W115 F119L67-M109 HydrophobicContact CD1-SD 4.44Å; L67-M109 HydrophobicContact CD2-CG 4.14Å; L67-M109 HydrophobicContact CG-CE 4.34Å; L67-M109 HydrophobicContact CG-SD 4.5Å; C71-M109 HydrophobicContact CB-CE 4.28Å; C71-M109 PolarHBondContact SG-SD 3.36Å; L105-M109 HydrophobicContact CB-SD 4.26Å; L105-M109 WeakPolarHBondContact O-CG 3.49Å; L105-M109 PolarHBondContact O-N 2.89Å; L106-M109 HydrophobicContact CD2-SD 4.31Å; L106-M109 PolarHBondContact O-N 3.43Å; L106-M109 VanDerWaalsContact O-N 3.07Å; M109-E111 PolarHBondContact O-N 3.42Å; M109-E111 VanDerWaalsContact O-N 3.14Å; M109-E112 PolarHBondContact O-N 3.06Å; M109-W115 HydrophobicContact CB-CB 4.19Å; M109-W115 HydrophobicContact CB-CG 4.44Å; M109-W115 HydrophobicContact CE-CD2 4.02Å; M109-W115 HydrophobicContact CE-CE3 3.15Å; M109-W115 HydrophobicContact CE-CH2 4.2Å; M109-W115 HydrophobicContact CE-CZ3 3.27Å; M109-W115 WeakPolarHBondContact O-CB 3.47Å; M109-F119 HydrophobicContact CB-CE2 4.25Å; M109-F119 HydrophobicContact CE-CE1 4.33Å; M109-F119 HydrophobicContact CE-CE2 3.89Å; M109-F119 HydrophobicContact CE-CZ 3.39Å; M109-F119 HydrophobicContact SD-CE2 4.33Å; M109-F119 HydrophobicContact SD-CZ 3.74Å
110F97Very high94.8Very high0 Ų023.9 Ų23.90%012%0.122CC..THydrogen-bonded Turntrans-67-10.5178.2-61.5-32.1000114.6L106 P107 H108 E112 R116 F119 E214 Y217 W231L106-F110 HydrophobicContact CB-CE2 3.99Å; L106-F110 HydrophobicContact CB-CZ 4.2Å; L106-F110 HydrophobicContact CD2-CZ 4.3Å; L106-F110 VanDerWaalsContact O-CD2 3.32Å; L106-F110 WeakPolarHBondContact O-CD2 3.07Å; L106-F110 VanDerWaalsContact O-CG 3.28Å; L106-F110 WeakPolarHBondContact O-CG 3.35Å; L106-F110 PolarHBondContact O-N 3.39Å; P107-F110 PolarHBondContact O-N 3.24Å; H108-F110 VanDerWaalsContact C-N 3.33Å; F110-E112 PolarHBondContact O-N 3.48Å; F110-R116 HydrophobicContact CD1-CG 4.35Å; F110-R116 PolarHBondContact O-NE 2.86Å; F110-R116 PolarHBondContact O-NH2 3.16Å; F110-F119 HydrophobicContact CD1-CE2 4.41Å; F110-F119 AromaticContact CE1-CD2 3.93Å; F110-F119 HydrophobicContact CE1-CD2 3.93Å; F110-F119 AromaticContact CE1-CE2 3.88Å; F110-F119 HydrophobicContact CE1-CE2 3.88Å; F110-E214 HydrophobicContact CD1-CB 4.45Å; F110-E214 HydrophobicContact CD1-CG 4.21Å; F110-E214 HydrophobicContact CD2-CB 4.27Å; F110-E214 HydrophobicContact CE1-CB 4.5Å; F110-E214 HydrophobicContact CE2-CB 4.32Å; F110-E214 HydrophobicContact CG-CB 4.35Å; F110-E214 HydrophobicContact CG-CG 4.33Å; F110-E214 HydrophobicContact CZ-CB 4.43Å; F110-Y217 HydrophobicContact CB-CD2 3.31Å; F110-Y217 HydrophobicContact CB-CE2 3.53Å; F110-Y217 HydrophobicContact CB-CG 3.88Å; F110-Y217 HydrophobicContact CD2-CD2 4.25Å; F110-Y217 AromaticContact CD2-CE2 3.94Å; F110-Y217 HydrophobicContact CD2-CE2 3.94Å; F110-Y217 HydrophobicContact CG-CD2 4.22Å; F110-Y217 HydrophobicContact CG-CE2 4.25Å; F110-Y217 VanDerWaalsContact O-CB 3.23Å; F110-Y217 WeakPolarHBondContact O-CB 3.5Å; F110-W231 AromaticContact CE1-CZ2 3.88Å; F110-W231 HydrophobicContact CE1-CZ2 3.88Å; F110-W231 AromaticContact CE1-NE1 3.96Å; F110-W231 AromaticContact CZ-CE2 3.92Å; F110-W231 AromaticContact CZ-CZ2 3.79Å; F110-W231 HydrophobicContact CZ-CZ2 3.79Å; F110-W231 AromaticContact CZ-NE1 3.89Å
111E95.9Very high94.4Very high5 Ų526 Ų262%0.02314%0.138CC..THydrogen-bonded Turntrans-62.5-28.5173.8-62.6177.8170.100112.4R57 R60 P107 H108 M109 R116 Y217 S755 R756R57-E111 IonicContact CZ-OE1 3.11Å; R57-E111 IonicContact NE-OE1 2.65Å; R57-E111 IonicContact NE-OE2 3.62Å; R57-E111 PolarHBondContact NE-OE2 3.25Å; R57-E111 IonicContact NH2-OE1 2.66Å; R57-E111 PolarHBondContact NH2-OE1 2.99Å; R57-E111 IonicContact NH2-OE2 2.58Å; R60-E111 IonicContact CZ-OE2 3.47Å; R60-E111 IonicContact NH1-OE2 2.93Å; R60-E111 PolarHBondContact NH1-OE2 3.26Å; R60-E111 IonicContact NH2-OE2 3.66Å; P107-E111 PolarHBondContact O-N 2.97Å; H108-E111 IonicContact ND1-OE1 3.3Å; H108-E111 PolarHBondContact ND1-OE1 3.43Å; H108-E111 WeakPolarHBondContact O-CB 3.35Å; H108-E111 PolarHBondContact O-N 3.21Å; M109-E111 PolarHBondContact O-N 3.42Å; M109-E111 VanDerWaalsContact O-N 3.14Å; E111-R116 PolarHBondContact O-NH2 3.4Å; E111-Y217 HydrophobicContact CG-CD1 4.22Å; E111-Y217 HydrophobicContact CG-CE1 4.05Å; E111-S755 WeakPolarHBondContact OE1-CA 3.34Å; E111-R756 HydrophobicContact CB-CB 4.33Å; E111-R756 HydrophobicContact CG-CB 3.93Å; E111-R756 HydrophobicContact CG-CG 4.4Å; E111-R756 PolarHBondContact OE1-N 3.27Å; E111-R756 VanDerWaalsContact OE1-N 3.07Å
112E94.4Very high93.5Very high66 Ų6629.2 Ų29.231%0.30816%0.161SC..SBendtrans-111.3132.7-175.5-62.6-59.8155.500111.8R60 M109 F110 E114 W115 R756R60-E112 VanDerWaalsContact CZ-CG 3.43Å; R60-E112 IonicContact CZ-OE1 2.77Å; R60-E112 IonicContact NH2-OE1 3.62Å; R60-E112 PolarHBondContact NH2-OE1 3.08Å; R60-E112 VanDerWaalsContact NH2-OE1 3.12Å; M109-E112 PolarHBondContact O-N 3.06Å; F110-E112 PolarHBondContact O-N 3.48Å; E112-E114 VanDerWaalsContact C-N 3.31Å; E112-E114 PolarHBondContact O-N 3.09Å; E112-W115 PolarHBondContact O-N 3.41Å; E112-R756 IonicContact OE1-NH1 3.54Å
113P91.6Very high92.1Very high82 Ų8230.5 Ų30.553%0.53217%0.168SC..Hα-helixtrans-58.8-34.8-176.9-25.734000115.1W115 R116 G117P113-W115 VanDerWaalsContact C-N 3.29Å; P113-W115 PolarHBondContact O-N 3.44Å; P113-R116 WeakPolarHBondContact O-CB 3.46Å; P113-R116 PolarHBondContact O-N 3.05Å; P113-G117 PolarHBondContact O-N 3.39Å; P113-G117 VanDerWaalsContact O-N 3.13Å
114E92Very high90.6Very high165 Ų16535.8 Ų35.877%0.77120%0.203SC*.Hα-helixtrans-59.1-41.2-179.2-63.1179176.400111.8E112 G117 Y118E112-E114 VanDerWaalsContact C-N 3.31Å; E112-E114 PolarHBondContact O-N 3.09Å; E114-G117 WeakPolarHBondContact O-CA 3.26Å; E114-G117 PolarHBondContact O-N 2.88Å; E114-Y118 PolarHBondContact O-N 3.35Å
115W93.2Very high88.8Confident22 Ų2237.7 Ų37.78%0.08322%0.22CC..Hα-helixtrans-73.2-28.7179.7-74.897.5000113R60 P64 L67 A68 M109 E112 P113 G117 Y118 F119R60-W115 HydrophobicContact CG-CZ2 4.1Å; R60-W115 VanDerWaalsContact CG-NE1 3.28Å; P64-W115 HydrophobicContact CB-CH2 4.47Å; P64-W115 HydrophobicContact CB-CZ2 3.86Å; P64-W115 WeakPolarHBondContact O-CH2 3.18Å; L67-W115 HydrophobicContact CB-CH2 3.97Å; L67-W115 HydrophobicContact CB-CZ2 4.4Å; L67-W115 HydrophobicContact CD2-CH2 3.93Å; L67-W115 HydrophobicContact CD2-CZ2 3.83Å; L67-W115 HydrophobicContact CG-CH2 3.91Å; L67-W115 HydrophobicContact CG-CZ2 4.31Å; L67-W115 HydrophobicContact CG-CZ3 4.46Å; A68-W115 HydrophobicContact CB-CH2 3.87Å; A68-W115 HydrophobicContact CB-CZ3 3.93Å; M109-W115 HydrophobicContact CB-CB 4.19Å; M109-W115 HydrophobicContact CB-CG 4.44Å; M109-W115 HydrophobicContact CE-CD2 4.02Å; M109-W115 HydrophobicContact CE-CE3 3.15Å; M109-W115 HydrophobicContact CE-CH2 4.2Å; M109-W115 HydrophobicContact CE-CZ3 3.27Å; M109-W115 WeakPolarHBondContact O-CB 3.47Å; E112-W115 PolarHBondContact O-N 3.41Å; P113-W115 VanDerWaalsContact C-N 3.29Å; P113-W115 PolarHBondContact O-N 3.44Å; W115-G117 VanDerWaalsContact C-N 3.31Å; W115-Y118 AromaticContact CE3-CD1 3.84Å; W115-Y118 HydrophobicContact CE3-CD1 3.84Å; W115-Y118 HydrophobicContact CE3-CE1 4.43Å; W115-Y118 HydrophobicContact CE3-CG 4.1Å; W115-Y118 HydrophobicContact CZ3-CD1 4.01Å; W115-Y118 HydrophobicContact CZ3-CE1 4.16Å; W115-Y118 HydrophobicContact CZ3-CG 4.32Å; W115-Y118 WeakPolarHBondContact O-CB 3.46Å; W115-Y118 PolarHBondContact O-N 3.15Å; W115-F119 WeakPolarHBondContact O-CD2 3.31Å
116R92.6Very high87.1Confident18 Ų1839.7 Ų39.77%0.06823%0.233CC..Hα-helixtrans-64.6-40.8169-55.6177.7-160.3138.78.3110.2F110 E111 P113 W120 E214 Y217 H218F110-R116 HydrophobicContact CD1-CG 4.35Å; F110-R116 PolarHBondContact O-NE 2.86Å; F110-R116 PolarHBondContact O-NH2 3.16Å; E111-R116 PolarHBondContact O-NH2 3.4Å; P113-R116 WeakPolarHBondContact O-CB 3.46Å; P113-R116 PolarHBondContact O-N 3.05Å; R116-W120 VanDerWaalsContact O-CD1 3.28Å; R116-E214 HydrophobicContact CG-CG 4.09Å; R116-Y217 PolarHBondContact NH2-O 2.97Å; R116-H218 VanDerWaalsContact CD-NE2 3.34Å; R116-H218 WeakPolarHBondContact CD-NE2 3.48Å
117G90.3Very high85.1Confident33 Ų3349.8 Ų49.834%0.3428%0.277SS..Hα-helixtrans-62.6-42.8172.700000113.1P113 E114 W115 F119 W120 S121P113-G117 PolarHBondContact O-N 3.39Å; P113-G117 VanDerWaalsContact O-N 3.13Å; E114-G117 WeakPolarHBondContact O-CA 3.26Å; E114-G117 PolarHBondContact O-N 2.88Å; W115-G117 VanDerWaalsContact C-N 3.31Å; G117-F119 PolarHBondContact O-N 3.32Å; G117-W120 CarbonylContact O-C 3.48Å; G117-W120 PolarHBondContact O-N 2.99Å; G117-S121 PolarHBondContact O-N 3.22Å; G117-S121 VanDerWaalsContact O-N 3.12Å
118Y91.5Very high83Confident46 Ų4658.2 Ų58.218%0.1832%0.316CS..Hα-helixtrans-51.1-49.3-177.9168.6-104.7000113.4A68 E114 W115 W120 S121 L139A68-Y118 HydrophobicContact CB-CE2 4.14Å; A68-Y118 PolarHBondContact O-OH 3.18Å; A68-Y118 VanDerWaalsContact O-OH 3.12Å; E114-Y118 PolarHBondContact O-N 3.35Å; W115-Y118 AromaticContact CE3-CD1 3.84Å; W115-Y118 HydrophobicContact CE3-CD1 3.84Å; W115-Y118 HydrophobicContact CE3-CE1 4.43Å; W115-Y118 HydrophobicContact CE3-CG 4.1Å; W115-Y118 HydrophobicContact CZ3-CD1 4.01Å; W115-Y118 HydrophobicContact CZ3-CE1 4.16Å; W115-Y118 HydrophobicContact CZ3-CG 4.32Å; W115-Y118 WeakPolarHBondContact O-CB 3.46Å; W115-Y118 PolarHBondContact O-N 3.15Å; Y118-W120 PolarHBondContact O-N 3.07Å; Y118-W120 VanDerWaalsContact O-N 3.16Å; Y118-S121 PolarHBondContact O-N 3.49Å; Y118-S121 VanDerWaalsContact O-N 3.09Å; Y118-S121 PolarHBondContact O-OG 2.8Å; Y118-L139 HydrophobicContact CE1-CD2 3.68Å
119F93.7Very high81.1Confident0 Ų060.8 Ų60.80%034%0.343CS..Hα-helixtrans-64.2-23.4-177.9-69.3-72.8000114.1I75 L106 M109 F110 W115 G117 L139 A140 W231I75-F119 HydrophobicContact CD1-CE1 4.49Å; L106-F119 HydrophobicContact CD2-CE1 3.71Å; L106-F119 HydrophobicContact CD2-CE2 3.84Å; L106-F119 HydrophobicContact CD2-CZ 3.2Å; M109-F119 HydrophobicContact CB-CE2 4.25Å; M109-F119 HydrophobicContact CE-CE1 4.33Å; M109-F119 HydrophobicContact CE-CE2 3.89Å; M109-F119 HydrophobicContact CE-CZ 3.39Å; M109-F119 HydrophobicContact SD-CE2 4.33Å; M109-F119 HydrophobicContact SD-CZ 3.74Å; F110-F119 HydrophobicContact CD1-CE2 4.41Å; F110-F119 AromaticContact CE1-CD2 3.93Å; F110-F119 HydrophobicContact CE1-CD2 3.93Å; F110-F119 AromaticContact CE1-CE2 3.88Å; F110-F119 HydrophobicContact CE1-CE2 3.88Å; W115-F119 WeakPolarHBondContact O-CD2 3.31Å; G117-F119 PolarHBondContact O-N 3.32Å; F119-L139 HydrophobicContact CD1-CD2 3.99Å; F119-L139 HydrophobicContact CD1-CG 4.35Å; F119-L139 HydrophobicContact CE1-CD2 4.22Å; F119-L139 PolarHBondContact O-N 3.49Å; F119-L139 VanDerWaalsContact O-N 3.14Å; F119-A140 HydrophobicContact CB-CB 4.03Å; F119-A140 WeakPolarHBondContact O-CB 3.26Å; F119-A140 PolarHBondContact O-N 3.44Å; F119-W231 HydrophobicContact CB-CH2 4.05Å; F119-W231 HydrophobicContact CB-CZ2 3.74Å; F119-W231 HydrophobicContact CD1-CH2 4.09Å; F119-W231 HydrophobicContact CD1-CZ2 4.29Å; F119-W231 HydrophobicContact CD2-CZ2 4.02Å; F119-W231 HydrophobicContact CG-CH2 4.02Å; F119-W231 AromaticContact CG-CZ2 3.77Å; F119-W231 HydrophobicContact CG-CZ2 3.77Å
120W92.8Very high79.5Confident45 Ų4566.2 Ų66.217%0.1738%0.378CS..THydrogen-bonded Turntrans-100.60.7179.5-62.9101.4000113.2R116 G117 Y118 P138 A140 R230 W231 A234R116-W120 VanDerWaalsContact O-CD1 3.28Å; G117-W120 CarbonylContact O-C 3.48Å; G117-W120 PolarHBondContact O-N 2.99Å; Y118-W120 PolarHBondContact O-N 3.07Å; Y118-W120 VanDerWaalsContact O-N 3.16Å; W120-P138 HydrophobicContact CE3-CB 4.26Å; W120-A140 HydrophobicContact CD2-CB 3.76Å; W120-A140 HydrophobicContact CE3-CB 3.82Å; W120-A140 HydrophobicContact CH2-CB 3.52Å; W120-A140 HydrophobicContact CZ2-CB 3.43Å; W120-A140 VanDerWaalsContact CZ2-CB 3.43Å; W120-A140 HydrophobicContact CZ3-CB 3.72Å; W120-R230 VanDerWaalsContact CB-NH1 3.35Å; W120-R230 HydrophobicContact CD2-CB 3.96Å; W120-R230 VanDerWaalsContact CE2-CB 3.47Å; W120-R230 HydrophobicContact CE3-CB 4.35Å; W120-R230 VanDerWaalsContact CG-CZ 3.43Å; W120-R230 VanDerWaalsContact CH2-C 3.45Å; W120-R230 HydrophobicContact CH2-CB 3.91Å; W120-R230 WeakPolarHBondContact CH2-O 3.31Å; W120-R230 HydrophobicContact CZ2-CB 3.47Å; W120-R230 VanDerWaalsContact CZ2-CB 3.47Å; W120-R230 WeakPolarHBondContact CZ2-O 3.45Å; W120-R230 HydrophobicContact CZ3-CB 4.32Å; W120-W231 HydrophobicContact CZ2-CB 4.26Å; W120-W231 AromaticContact CZ2-CD2 3.69Å; W120-W231 HydrophobicContact CZ2-CD2 3.69Å; W120-W231 HydrophobicContact CZ2-CE3 4.09Å; W120-W231 AromaticContact CZ2-CG 3.74Å; W120-W231 HydrophobicContact CZ2-CG 3.74Å; W120-W231 VanDerWaalsContact CZ2-N 3.3Å; W120-W231 AromaticContact NE1-CE2 3.94Å; W120-W231 AromaticContact NE1-NE1 3.65Å; W120-A234 HydrophobicContact CH2-CB 3.82Å; W120-A234 HydrophobicContact CZ3-CB 4.32Å
121S87.7Confident78.1Confident51 Ų5169.8 Ų69.836%0.35740%0.4SS..SBendtrans-89.3150.1172.669.70000111.3G117 Y118 V123G117-S121 PolarHBondContact O-N 3.22Å; G117-S121 VanDerWaalsContact O-N 3.12Å; Y118-S121 PolarHBondContact O-N 3.49Å; Y118-S121 VanDerWaalsContact O-N 3.09Å; Y118-S121 PolarHBondContact O-OG 2.8Å; S121-V123 PolarHBondContact O-N 3.39Å
122S76.5Confident77.4Confident70 Ų7071 Ų7149%0.4941%0.407SS..BIsolated β-bridgetrans-69.5124.6171.5-62.50000109.7A135S122-A135 WeakPolarHBondContact CB-O 3.15Å
123V68.4Low76.8Confident26 Ų2668.3 Ų68.316%0.15839%0.394CS..PPolyproline II helixtrans-82.2132.8178.1-175.70000108.6Y72 S121 A125 L139Y72-V123 HydrophobicContact CD2-CB 4.4Å; Y72-V123 HydrophobicContact CD2-CG1 3.81Å; Y72-V123 HydrophobicContact CD2-CG2 4.37Å; Y72-V123 HydrophobicContact CE2-CB 4.3Å; Y72-V123 HydrophobicContact CE2-CG1 3.83Å; S121-V123 PolarHBondContact O-N 3.39Å; V123-A125 PolarHBondContact O-N 3.35Å; V123-L139 HydrophobicContact CG2-CB 4.29Å
124P64.2Low76.3Confident114 Ų11467.9 Ų67.974%0.7439%0.391SS*.PPolyproline II helixtrans-56.3128.3173.4-21.131.1000110.2
125A59.5Low75.6Confident48 Ų4862.1 Ų62.140%0.39737%0.372SS..PPolyproline II helixtrans-55.1137.3176.400000110.2V123 K127 T131 A135V123-A125 PolarHBondContact O-N 3.35Å; A125-K127 PolarHBondContact O-N 2.93Å; A125-T131 HydrophobicContact CB-CG2 4.35Å; A125-A135 HydrophobicContact CB-CB 4.25Å
126P60.8Low75.2Confident42 Ų4268 Ų6827%0.27341%0.405SS..PPolyproline II helixtrans-55.9137.6173.220.4-28.9000109.6E128P126-E128 PolarHBondContact O-N 3.3Å
127K55.3Low75Confident213 Ų21369 Ų6993%0.92641%0.413SS*.SBendtrans-63.1-23.1-174.7-67.6-178.2-179.3176.60113.1A125A125-K127 PolarHBondContact O-N 2.93Å
128E53.6Low75.1Confident177 Ų17768.9 Ų68.983%0.82741%0.406SS*.SBendtrans-143139.6-177.8-65-177.917400110.6P126P126-E128 PolarHBondContact O-N 3.3Å
129G56.2Low75.2Confident54 Ų5466.7 Ų66.756%0.55740%0.397SS*.SBendtrans111.2164.6177.200000114.9T131G129-T131 PolarHBondContact O-N 3.43Å
130P61.9Low75.3Confident114 Ų11466.7 Ų66.774%0.7440%0.397SS*.  trans-64.1122.3176.626.4-32.4000110.3I132P130-I132 PolarHBondContact O-N 2.94Å
131T68.1Low75.4Confident75 Ų7568 Ų6846%0.4640%0.404SS..  trans-77.892.6-179.4-45.90000110.1A125 G129 I133A125-T131 HydrophobicContact CB-CG2 4.35Å; G129-T131 PolarHBondContact O-N 3.43Å; T131-I133 WeakPolarHBondContact CG2-O 3.31Å
132I80.4Confident75.7Confident31 Ų3166.3 Ų66.316%0.15939%0.392CS..  trans-69.7-40177.9-60.2-179.6000110.7E76 A79 K80 P130E76-I132 HydrophobicContact CG-CB 4.38Å; E76-I132 HydrophobicContact CG-CD1 4.13Å; A79-I132 HydrophobicContact CB-CG2 3.93Å; K80-I132 HydrophobicContact CB-CD1 3.77Å; K80-I132 HydrophobicContact CD-CD1 3.93Å; K80-I132 HydrophobicContact CG-CD1 3.83Å; P130-I132 PolarHBondContact O-N 2.94Å
133I83.1Confident76.6Confident8 Ų863 Ų634%0.04137%0.368CS..SBendtrans-95.2116.7179-64.2176.7000109.1Y72 E76 T131 A135 L139 V142Y72-I133 HydrophobicContact CD2-CD1 4.26Å; Y72-I133 HydrophobicContact CE2-CD1 3.71Å; E76-I133 HydrophobicContact CB-CD1 4.04Å; T131-I133 WeakPolarHBondContact CG2-O 3.31Å; I133-A135 PolarHBondContact O-N 3.31Å; I133-L139 HydrophobicContact CD1-CD1 4.11Å; I133-V142 HydrophobicContact CD1-CG1 4.35Å; I133-V142 HydrophobicContact CG1-CG1 4.16Å; I133-V142 HydrophobicContact CG2-CG2 3.94Å
134P80.9Confident78Confident73 Ų7361.8 Ų61.847%0.47436%0.361SS..  trans-61.3135.7178.1-1829.8000111.4D136 T137P134-D136 PolarHBondContact O-N 2.89Å; P134-D136 VanDerWaalsContact O-N 3.12Å; P134-T137 PolarHBondContact O-N 3.45Å
135A76.8Confident79.5Confident44 Ų4458.8 Ų58.836%0.36434%0.341SS..THydrogen-bonded Turntrans-56.8-32.2-174.500000113.8S122 A125 I133 T137S122-A135 WeakPolarHBondContact CB-O 3.15Å; A125-A135 HydrophobicContact CB-CB 4.25Å; I133-A135 PolarHBondContact O-N 3.31Å; A135-T137 VanDerWaalsContact C-N 3.35Å
136D84.2Confident81.2Confident146 Ų14656.8 Ų56.878%0.78132%0.324SS*.THydrogen-bonded Turntrans-87.7-0.8-177.8-59.4-38.1000113.6P134P134-D136 PolarHBondContact O-N 2.89Å; P134-D136 VanDerWaalsContact O-N 3.12Å
137T89.3Confident83Confident39 Ų3954.8 Ų54.824%0.23931%0.311CS..SBendtrans-100.6125.6-175.2-56.90000111.4P134 A135 K141 V142P134-T137 PolarHBondContact O-N 3.45Å; A135-T137 VanDerWaalsContact C-N 3.35Å; T137-K141 HydrophobicContact CG2-CB 4.23Å; T137-K141 HydrophobicContact CG2-CD 4.43Å; T137-K141 HydrophobicContact CG2-CG 4.46Å; T137-V142 HydrophobicContact CG2-CG2 3.72Å
138P93.1Very high84.9Confident30 Ų3044.6 Ų44.620%0.19527%0.267CS..BIsolated β-bridgetrans-61.5141.8176-22.532.5000112.9W120 A140 K141 V142W120-P138 HydrophobicContact CE3-CB 4.26Å; P138-A140 VanDerWaalsContact C-N 3.26Å; P138-A140 PolarHBondContact O-N 3.23Å; P138-K141 WeakPolarHBondContact O-CB 3.36Å; P138-K141 PolarHBondContact O-N 3.36Å; P138-V142 PolarHBondContact O-N 3.1Å
139L93.3Very high86.9Confident0 Ų037 Ų370%023%0.232CC..Hα-helixtrans-58.6-36.6-177.8-17263.4000112.7Y72 I75 Y118 F119 V123 I133 K141 V142 L143Y72-L139 HydrophobicContact CD2-CD1 4.21Å; I75-L139 HydrophobicContact CB-CD1 3.89Å; I75-L139 HydrophobicContact CD1-CD1 3.7Å; I75-L139 HydrophobicContact CD1-CD2 3.77Å; I75-L139 HydrophobicContact CD1-CG 3.5Å; I75-L139 VanDerWaalsContact CD1-CG 3.5Å; I75-L139 HydrophobicContact CG1-CD1 4.38Å; I75-L139 HydrophobicContact CG2-CD1 3.63Å; I75-L139 HydrophobicContact CG2-CG 4.44Å; Y118-L139 HydrophobicContact CE1-CD2 3.68Å; F119-L139 HydrophobicContact CD1-CD2 3.99Å; F119-L139 HydrophobicContact CD1-CG 4.35Å; F119-L139 HydrophobicContact CE1-CD2 4.22Å; F119-L139 PolarHBondContact O-N 3.49Å; F119-L139 VanDerWaalsContact O-N 3.14Å; V123-L139 HydrophobicContact CG2-CB 4.29Å; I133-L139 HydrophobicContact CD1-CD1 4.11Å; L139-K141 PolarHBondContact O-N 2.89Å; L139-V142 PolarHBondContact O-N 2.78Å; L139-L143 WeakPolarHBondContact O-CB 3.33Å; L139-L143 PolarHBondContact O-N 3.43Å
140A95.3Very high88.8Confident0 Ų034.4 Ų34.40%021%0.205CC..Hα-helixtrans-58.1-44.9173.700000112.6F119 W120 P138 L143 I144 W231F119-A140 HydrophobicContact CB-CB 4.03Å; F119-A140 WeakPolarHBondContact O-CB 3.26Å; F119-A140 PolarHBondContact O-N 3.44Å; W120-A140 HydrophobicContact CD2-CB 3.76Å; W120-A140 HydrophobicContact CE3-CB 3.82Å; W120-A140 HydrophobicContact CH2-CB 3.52Å; W120-A140 HydrophobicContact CZ2-CB 3.43Å; W120-A140 VanDerWaalsContact CZ2-CB 3.43Å; W120-A140 HydrophobicContact CZ3-CB 3.72Å; P138-A140 VanDerWaalsContact C-N 3.26Å; P138-A140 PolarHBondContact O-N 3.23Å; A140-L143 PolarHBondContact O-N 3.12Å; A140-I144 WeakPolarHBondContact O-CG1 3.33Å; A140-I144 PolarHBondContact O-N 2.79Å; A140-W231 VanDerWaalsContact CA-CZ3 3.49Å; A140-W231 HydrophobicContact CB-CD2 4.32Å; A140-W231 HydrophobicContact CB-CE3 3.85Å; A140-W231 HydrophobicContact CB-CH2 3.47Å; A140-W231 VanDerWaalsContact CB-CH2 3.47Å; A140-W231 HydrophobicContact CB-CZ2 3.93Å; A140-W231 HydrophobicContact CB-CZ3 3.42Å; A140-W231 VanDerWaalsContact CB-CZ3 3.42Å
141K94.3Very high90.4Very high73 Ų7329 Ų2932%0.31717%0.17SC..Hα-helixtrans-65.5-43-179.2-171.3169.8-175.2174.30110.2T137 P138 L139 L143 I144 T145 D239T137-K141 HydrophobicContact CG2-CB 4.23Å; T137-K141 HydrophobicContact CG2-CD 4.43Å; T137-K141 HydrophobicContact CG2-CG 4.46Å; P138-K141 WeakPolarHBondContact O-CB 3.36Å; P138-K141 PolarHBondContact O-N 3.36Å; L139-K141 PolarHBondContact O-N 2.89Å; K141-L143 PolarHBondContact O-N 3.21Å; K141-I144 PolarHBondContact O-N 3.06Å; K141-T145 WeakPolarHBondContact O-CB 3.43Å; K141-T145 PolarHBondContact O-N 2.68Å; K141-T145 PolarHBondContact O-OG1 3.08Å; K141-D239 IonicContact NZ-OD2 3.56Å; K141-D239 PolarHBondContact NZ-OD2 3.23Å
142V94.5Very high91.7Very high15 Ų1525.4 Ų25.49%0.09115%0.148CC..Hα-helixtrans-58.6-47.5173.8-179.30000110.9I75 A79 I133 T137 P138 L139 T145 S146I75-V142 HydrophobicContact CG2-CB 4.24Å; I75-V142 HydrophobicContact CG2-CG1 3.85Å; A79-V142 HydrophobicContact CB-CG1 3.98Å; I133-V142 HydrophobicContact CD1-CG1 4.35Å; I133-V142 HydrophobicContact CG1-CG1 4.16Å; I133-V142 HydrophobicContact CG2-CG2 3.94Å; T137-V142 HydrophobicContact CG2-CG2 3.72Å; P138-V142 PolarHBondContact O-N 3.1Å; L139-V142 PolarHBondContact O-N 2.78Å; V142-T145 PolarHBondContact O-N 3.19Å; V142-S146 VanDerWaalsContact O-CB 3.3Å; V142-S146 WeakPolarHBondContact O-CB 3.34Å; V142-S146 PolarHBondContact O-N 2.81Å; V142-S146 PolarHBondContact O-OG 2.89Å
143L96.7Very high92.2Very high0 Ų024.1 Ų24.10%014%0.141CC..Hα-helixtrans-60.1-50.3179.6177.154000111.9I75 L78 L102 L106 L139 A140 K141 T145 S146 I147 L207 W231I75-L143 HydrophobicContact CD1-CB 4.19Å; I75-L143 HydrophobicContact CD1-CD2 4.06Å; I75-L143 HydrophobicContact CG1-CB 4.37Å; I75-L143 HydrophobicContact CG1-CD1 4.16Å; I75-L143 HydrophobicContact CG1-CD2 4.41Å; I75-L143 HydrophobicContact CG2-CB 4.17Å; L78-L143 HydrophobicContact CD1-CD1 3.86Å; L102-L143 HydrophobicContact CD1-CD1 3.97Å; L106-L143 HydrophobicContact CD1-CD2 4.2Å; L139-L143 WeakPolarHBondContact O-CB 3.33Å; L139-L143 PolarHBondContact O-N 3.43Å; A140-L143 PolarHBondContact O-N 3.12Å; K141-L143 PolarHBondContact O-N 3.21Å; L143-T145 PolarHBondContact O-N 3.3Å; L143-S146 PolarHBondContact O-N 2.78Å; L143-I147 HydrophobicContact CD1-CD1 3.61Å; L143-I147 HydrophobicContact CD1-CG1 3.91Å; L143-I147 HydrophobicContact CG-CD1 3.82Å; L143-I147 VanDerWaalsContact O-CG1 3.27Å; L143-I147 WeakPolarHBondContact O-CG1 3.44Å; L143-I147 PolarHBondContact O-N 2.68Å; L143-L207 HydrophobicContact CD1-CD2 4.21Å; L143-W231 HydrophobicContact CD2-CH2 4.23Å; L143-W231 HydrophobicContact CD2-CZ3 4.13Å
144I97.3Very high92.6Very high1 Ų124.3 Ų24.31%0.00514%0.144CC..Hα-helixtrans-58.8-48178.4-67.8-66.1000111A140 K141 S146 I147 C148 L208 C211 W231 L235A140-I144 WeakPolarHBondContact O-CG1 3.33Å; A140-I144 PolarHBondContact O-N 2.79Å; K141-I144 PolarHBondContact O-N 3.06Å; I144-S146 PolarHBondContact O-N 2.83Å; I144-I147 PolarHBondContact O-N 3.45Å; I144-C148 WeakPolarHBondContact O-CB 3.14Å; I144-C148 PolarHBondContact O-N 2.89Å; I144-C148 PolarHBondContact O-SG 2.92Å; I144-L208 HydrophobicContact CD1-CD1 3.31Å; I144-C211 HydrophobicContact CD1-CB 4.18Å; I144-W231 HydrophobicContact CD1-CE3 3.94Å; I144-W231 HydrophobicContact CD1-CZ3 4.45Å; I144-W231 HydrophobicContact CG1-CE3 3.85Å; I144-W231 HydrophobicContact CG1-CZ3 4.21Å; I144-L235 HydrophobicContact CG2-CB 4.3Å; I144-L235 HydrophobicContact CG2-CD1 4.28Å
145T94.8Very high93Very high52 Ų5225 Ų2532%0.31914%0.143SC..Hα-helixtrans-62.6-42.4178.8-60.50000111.8K141 V142 L143 C148 N149K141-T145 WeakPolarHBondContact O-CB 3.43Å; K141-T145 PolarHBondContact O-N 2.68Å; K141-T145 PolarHBondContact O-OG1 3.08Å; V142-T145 PolarHBondContact O-N 3.19Å; L143-T145 PolarHBondContact O-N 3.3Å; T145-C148 PolarHBondContact O-N 3.08Å; T145-N149 WeakPolarHBondContact O-CB 3.43Å; T145-N149 PolarHBondContact O-N 3.26Å; T145-N149 PolarHBondContact O-ND2 2.77Å
146S95.6Very high93.8Very high5 Ų523 Ų234%0.03513%0.126CC..Hα-helixtrans-64.1-45.2177.6-66.10000112.1A79 C82 V142 L143 I144 C148 N149 L150A79-S146 WeakPolarHBondContact CA-OG 3.27Å; C82-S146 PolarHBondContact SG-O 3.31Å; V142-S146 VanDerWaalsContact O-CB 3.3Å; V142-S146 WeakPolarHBondContact O-CB 3.34Å; V142-S146 PolarHBondContact O-N 2.81Å; V142-S146 PolarHBondContact O-OG 2.89Å; L143-S146 PolarHBondContact O-N 2.78Å; I144-S146 PolarHBondContact O-N 2.83Å; S146-C148 VanDerWaalsContact C-N 3.33Å; S146-C148 PolarHBondContact O-N 3.4Å; S146-N149 PolarHBondContact O-N 2.75Å; S146-L150 WeakPolarHBondContact O-CB 3.45Å; S146-L150 VanDerWaalsContact O-CG 3.26Å; S146-L150 WeakPolarHBondContact O-CG 3.28Å; S146-L150 PolarHBondContact O-N 3.28Å
147I97.7Very high94.2Very high0 Ų016 Ų160%09%0.089CC..Hα-helixtrans-60.2-45.5175.7-64161.1000110.3L143 I144 N149 L150 L151 L204 L207 L208L143-I147 HydrophobicContact CD1-CD1 3.61Å; L143-I147 HydrophobicContact CD1-CG1 3.91Å; L143-I147 HydrophobicContact CG-CD1 3.82Å; L143-I147 VanDerWaalsContact O-CG1 3.27Å; L143-I147 WeakPolarHBondContact O-CG1 3.44Å; L143-I147 PolarHBondContact O-N 2.68Å; I144-I147 PolarHBondContact O-N 3.45Å; I147-N149 PolarHBondContact O-N 3.28Å; I147-L150 PolarHBondContact O-N 2.88Å; I147-L151 HydrophobicContact CG2-CD1 4.11Å; I147-L151 HydrophobicContact CG2-CG 4.38Å; I147-L151 WeakPolarHBondContact O-CG 3.45Å; I147-L151 PolarHBondContact O-N 3.39Å; I147-L204 HydrophobicContact CG2-CB 4.21Å; I147-L204 HydrophobicContact CG2-CD2 4.36Å; I147-L207 HydrophobicContact CD1-CB 4.45Å; I147-L207 HydrophobicContact CD1-CD2 3.77Å; I147-L207 HydrophobicContact CD1-CG 3.72Å; I147-L207 HydrophobicContact CG1-CD2 4.03Å; I147-L207 HydrophobicContact CG1-CG 4.45Å; I147-L208 HydrophobicContact CD1-CD1 4.47Å; I147-L208 HydrophobicContact CG2-CB 4.16Å
148C96.7Very high94.4Very high0 Ų014.3 Ų14.30%08%0.079CC..Hα-helixtrans-64.8-39.7179.6-66.20000112.5I144 T145 S146 L151 F152 H242I144-C148 WeakPolarHBondContact O-CB 3.14Å; I144-C148 PolarHBondContact O-N 2.89Å; I144-C148 PolarHBondContact O-SG 2.92Å; T145-C148 PolarHBondContact O-N 3.08Å; S146-C148 VanDerWaalsContact C-N 3.33Å; S146-C148 PolarHBondContact O-N 3.4Å; C148-L151 PolarHBondContact O-N 2.92Å; C148-F152 WeakPolarHBondContact O-CD2 3Å; C148-H242 VanDerWaalsContact C-CD2 3.46Å; C148-H242 HydrophobicContact CB-CB 3.91Å
149N95Very high94.2Very high16 Ų1614.6 Ų14.69%0.0868%0.084CC..Hα-helixtrans-60.8-46.2172.6-71.9-29.3000111.6C82 T145 S146 I147 L151 F152 C153 L171 R241 H242C82-N149 HydrophobicContact CB-CB 4.2Å; T145-N149 WeakPolarHBondContact O-CB 3.43Å; T145-N149 PolarHBondContact O-N 3.26Å; T145-N149 PolarHBondContact O-ND2 2.77Å; S146-N149 PolarHBondContact O-N 2.75Å; I147-N149 PolarHBondContact O-N 3.28Å; N149-L151 VanDerWaalsContact C-N 3.29Å; N149-L151 PolarHBondContact O-N 2.87Å; N149-F152 CarbonylContact O-C 3.49Å; N149-F152 PolarHBondContact O-N 2.89Å; N149-C153 PolarHBondContact O-N 3.05Å; N149-L171 HydrophobicContact CB-CD1 4.44Å; N149-R241 PolarHBondContact OD1-NE 3.07Å; N149-R241 PolarHBondContact OD1-NH2 3.02Å; N149-H242 PolarHBondContact OD1-NE2 2.86Å
150L95.8Very high93.5Very high0 Ų016.4 Ų16.40%010%0.096CC..Hα-helixtrans-65.2-32.2179.4-72.3171.1000112.5L78 L86 V95 S146 I147 F152 C153 F156 T157 L204L78-L150 HydrophobicContact CB-CD1 4.41Å; L78-L150 HydrophobicContact CD2-CD1 3.95Å; L86-L150 HydrophobicContact CD1-CD2 3.85Å; V95-L150 HydrophobicContact CG1-CD1 3.82Å; V95-L150 HydrophobicContact CG1-CD2 4.29Å; S146-L150 WeakPolarHBondContact O-CB 3.45Å; S146-L150 VanDerWaalsContact O-CG 3.26Å; S146-L150 WeakPolarHBondContact O-CG 3.28Å; S146-L150 PolarHBondContact O-N 3.28Å; I147-L150 PolarHBondContact O-N 2.88Å; L150-F152 PolarHBondContact O-N 3.3Å; L150-C153 WeakPolarHBondContact O-CB 3.43Å; L150-C153 PolarHBondContact O-N 2.71Å; L150-F156 HydrophobicContact CB-CD1 4.48Å; L150-F156 HydrophobicContact CB-CE1 4.13Å; L150-F156 HydrophobicContact CD2-CD1 4.09Å; L150-F156 HydrophobicContact CD2-CE1 3.95Å; L150-T157 WeakPolarHBondContact O-CG2 3.24Å; L150-T157 PolarHBondContact O-OG1 3.17Å; L150-L204 HydrophobicContact CB-CD1 3.93Å; L150-L204 HydrophobicContact CB-CD2 4.03Å; L150-L204 HydrophobicContact CD1-CD2 4.12Å
151L96.5Very high92.2Very high0 Ų020.6 Ų20.60%012%0.123CC..Hα-helixtrans-62.6-25.6176.5-82.4171.3000113.2I147 C148 N149 T157 W181 R201 L204 L205 L208 L246I147-L151 HydrophobicContact CG2-CD1 4.11Å; I147-L151 HydrophobicContact CG2-CG 4.38Å; I147-L151 WeakPolarHBondContact O-CG 3.45Å; I147-L151 PolarHBondContact O-N 3.39Å; C148-L151 PolarHBondContact O-N 2.92Å; N149-L151 VanDerWaalsContact C-N 3.29Å; N149-L151 PolarHBondContact O-N 2.87Å; L151-T157 WeakPolarHBondContact O-CB 3.29Å; L151-T157 PolarHBondContact O-OG1 3.22Å; L151-W181 HydrophobicContact CB-CZ2 4.15Å; L151-W181 HydrophobicContact CD2-CH2 4.07Å; L151-W181 HydrophobicContact CD2-CZ2 3.96Å; L151-R201 HydrophobicContact CD2-CB 4.37Å; L151-R201 HydrophobicContact CD2-CG 4.43Å; L151-L204 HydrophobicContact CD2-CB 3.67Å; L151-L204 HydrophobicContact CD2-CD1 3.97Å; L151-L204 HydrophobicContact CG-CB 4.09Å; L151-L204 HydrophobicContact CG-CD1 4.18Å; L151-L205 HydrophobicContact CD1-CD2 4.02Å; L151-L205 HydrophobicContact CD2-CD2 4.06Å; L151-L205 HydrophobicContact CD2-CG 4.05Å; L151-L208 HydrophobicContact CD1-CD2 4.36Å; L151-L246 HydrophobicContact CD1-CD1 4.02Å
152F94.2Very high90.6Very high1 Ų123.1 Ų23.10%0.00413%0.134CC..THydrogen-bonded Turntrans-118.527.5177.8-62.8-79.7000112.8C148 N149 L150 P154 S176 W181 H242 P245 L246C148-F152 WeakPolarHBondContact O-CD2 3Å; N149-F152 CarbonylContact O-C 3.49Å; N149-F152 PolarHBondContact O-N 2.89Å; L150-F152 PolarHBondContact O-N 3.3Å; F152-P154 WeakPolarHBondContact O-CD 3.47Å; F152-S176 WeakPolarHBondContact CB-OG 3.44Å; F152-W181 AromaticContact CD1-NE1 3.86Å; F152-W181 AromaticContact CE1-CE2 3.97Å; F152-W181 HydrophobicContact CE1-CZ2 4.23Å; F152-W181 AromaticContact CE1-NE1 3.47Å; F152-W181 HydrophobicContact CE2-CZ2 4.43Å; F152-W181 AromaticContact CZ-CZ2 3.94Å; F152-W181 HydrophobicContact CZ-CZ2 3.94Å; F152-H242 HydrophobicContact CD2-CB 4.22Å; F152-H242 AromaticContact CD2-ND1 3.8Å; F152-H242 HydrophobicContact CE2-CB 4.19Å; F152-P245 HydrophobicContact CE1-CB 3.88Å; F152-P245 HydrophobicContact CE2-CB 4.01Å; F152-P245 HydrophobicContact CZ-CB 3.6Å; F152-L246 HydrophobicContact CE2-CB 4.19Å; F152-L246 HydrophobicContact CZ-CB 4.39Å
153C92.2Very high88.6Confident3 Ų333.4 Ų33.42%0.0218%0.178CC..  trans-82.9119.2-179.4-179.10000111.1N149 L150 F156 T157 V158 L171N149-C153 PolarHBondContact O-N 3.05Å; L150-C153 WeakPolarHBondContact O-CB 3.43Å; L150-C153 PolarHBondContact O-N 2.71Å; C153-F156 HydrophobicContact CB-CB 4.01Å; C153-F156 HydrophobicContact CB-CD1 4.09Å; C153-F156 PolarHBondContact O-N 3.21Å; C153-T157 PolarHBondContact N-OG1 2.88Å; C153-T157 PolarHBondContact O-N 2.84Å; C153-T157 PolarHBondContact O-OG1 2.94Å; C153-V158 PolarHBondContact O-N 2.93Å; C153-L171 HydrophobicContact CB-CD1 4.35Å; C153-L171 HydrophobicContact CB-CD2 4.27Å
154P89.8Confident86.3Confident13 Ų1335.4 Ų35.48%0.08420%0.198CC..BIsolated β-bridgetrans-54.5143.9174.7-25.636000112.5F152 F156 V158 Y179F152-P154 WeakPolarHBondContact O-CD 3.47Å; P154-F156 PolarHBondContact O-N 3.12Å; P154-V158 CarbonylContact C-O 3.5Å; P154-V158 WeakPolarHBondContact CA-O 3.35Å; P154-V158 HydrophobicContact CG-CG2 4.48Å; P154-Y179 HydrophobicContact CG-CE1 4.22Å
155D89.4Confident84Confident88 Ų8843.3 Ų43.347%0.47124%0.241SC..THydrogen-bonded Turntrans60.5-4.6-178.1-56.9-44.1000115.9Q92 V158Q92-D155 PolarHBondContact NE2-O 2.96Å; D155-V158 PolarHBondContact N-O 3.07Å
156F93.6Very high81.8Confident0 Ų047.2 Ų47.20%026%0.255CS..THydrogen-bonded Turntrans-103.1-58.7172.8179.4-128.9000112.1L86 Q92 V95 L96 L150 C153 P154 Y197 R200 L204L86-F156 HydrophobicContact CD1-CB 3.98Å; L86-F156 HydrophobicContact CD1-CD1 3.58Å; L86-F156 HydrophobicContact CD1-CD2 3.86Å; L86-F156 HydrophobicContact CD1-CE1 3.96Å; L86-F156 HydrophobicContact CD1-CE2 4.21Å; L86-F156 HydrophobicContact CD1-CG 3.52Å; L86-F156 HydrophobicContact CD1-CZ 4.27Å; Q92-F156 HydrophobicContact CB-CD2 4.04Å; Q92-F156 HydrophobicContact CB-CE2 4.01Å; Q92-F156 HydrophobicContact CG-CD2 3.69Å; Q92-F156 HydrophobicContact CG-CE2 4.17Å; V95-F156 HydrophobicContact CG1-CE1 4.26Å; V95-F156 HydrophobicContact CG1-CZ 3.96Å; L96-F156 HydrophobicContact CD2-CZ 4.18Å; L96-F156 HydrophobicContact CG-CE2 4.45Å; L96-F156 HydrophobicContact CG-CZ 4.41Å; L150-F156 HydrophobicContact CB-CD1 4.48Å; L150-F156 HydrophobicContact CB-CE1 4.13Å; L150-F156 HydrophobicContact CD2-CD1 4.09Å; L150-F156 HydrophobicContact CD2-CE1 3.95Å; C153-F156 HydrophobicContact CB-CB 4.01Å; C153-F156 HydrophobicContact CB-CD1 4.09Å; C153-F156 PolarHBondContact O-N 3.21Å; P154-F156 PolarHBondContact O-N 3.12Å; F156-Y197 WeakPolarHBondContact O-CD1 3.34Å; F156-Y197 WeakPolarHBondContact O-CE1 3.22Å; F156-R200 HydrophobicContact CE2-CB 4.44Å; F156-R200 HydrophobicContact CE2-CG 4.11Å; F156-R200 HydrophobicContact CZ-CB 4.47Å; F156-R200 WeakPolarHBondContact O-CD 3.45Å; F156-R200 PolarHBondContact O-NH1 3.37Å; F156-L204 HydrophobicContact CE1-CD1 4.03Å
157T94.3Very high79.7Confident0 Ų050.7 Ų50.70%028%0.276CS..THydrogen-bonded Turntrans-119.9-13.8178.657.50000113.3L150 L151 C153 Y197 R200 R201 L204L150-T157 WeakPolarHBondContact O-CG2 3.24Å; L150-T157 PolarHBondContact O-OG1 3.17Å; L151-T157 WeakPolarHBondContact O-CB 3.29Å; L151-T157 PolarHBondContact O-OG1 3.22Å; C153-T157 PolarHBondContact N-OG1 2.88Å; C153-T157 PolarHBondContact O-N 2.84Å; C153-T157 PolarHBondContact O-OG1 2.94Å; T157-Y197 WeakPolarHBondContact O-CB 3.37Å; T157-R200 HydrophobicContact CG2-CB 4.18Å; T157-R201 HydrophobicContact CG2-CG 4.07Å; T157-R201 PolarHBondContact O-NE 3.39Å; T157-R201 PolarHBondContact O-NH2 3.1Å; T157-L204 HydrophobicContact CG2-CD1 3.75Å
158V92.3Very high77.7Confident4 Ų453.3 Ų53.32%0.02429%0.292CS..BIsolated β-bridgetrans-136.3152178.8-62.30000110C153 P154 D155 Y179C153-V158 PolarHBondContact O-N 2.93Å; P154-V158 CarbonylContact C-O 3.5Å; P154-V158 WeakPolarHBondContact CA-O 3.35Å; P154-V158 HydrophobicContact CG-CG2 4.48Å; D155-V158 PolarHBondContact N-O 3.07Å; V158-Y179 HydrophobicContact CB-CD1 3.84Å; V158-Y179 HydrophobicContact CB-CG 4.42Å; V158-Y179 HydrophobicContact CG2-CD1 3.37Å; V158-Y179 HydrophobicContact CG2-CE1 3.99Å; V158-Y179 HydrophobicContact CG2-CG 3.92Å
159A88.4Confident75.7Confident36 Ų3658.5 Ų58.530%0.29832%0.32SS..  trans-74.1137178.200000110.4Y179 P192 Y197A159-Y179 WeakPolarHBondContact O-CE1 3.43Å; A159-P192 HydrophobicContact CB-CG 4.12Å; A159-Y197 HydrophobicContact CB-CE2 4.24Å
160S80Confident74.3Confident37 Ų3761.5 Ų61.526%0.25934%0.336SS..  trans-67.7132.7171.6-177.40000111K162S160-K162 VanDerWaalsContact C-N 3.26Å; S160-K162 PolarHBondContact O-N 3.02Å
161P66.6Low72.9Confident89 Ų8961.8 Ų61.858%0.57834%0.337SS*.SBendtrans-69.5-23.6-179.126.6-35000112.7Y179P161-Y179 WeakPolarHBondContact CD-OH 3.43Å; P161-Y179 HydrophobicContact CG-CE1 4.35Å; P161-Y179 WeakPolarHBondContact CG-OH 2.95Å
162K61.8Low71.6Confident126 Ų12668.7 Ų68.755%0.54837%0.367SS..  trans-106122.3-176.1-69.2178.3176.7175.30110.4S160 G164 E166S160-K162 VanDerWaalsContact C-N 3.26Å; S160-K162 PolarHBondContact O-N 3.02Å; K162-G164 PolarHBondContact O-N 3.01Å; K162-E166 IonicContact NZ-OE2 3.34Å; K162-E166 PolarHBondContact NZ-OE2 3.35Å
163K51.5Low70.4Confident231 Ų23172.5 Ų72.5100%1.00440%0.399SS*.SBendtrans-68.614165-79-174.2175.3179.20113.8
164G49.8Very low69.4Low42 Ų4273.1 Ų73.143%0.43340%0.403SS..SBendtrans-108.4140.8178.500000110K162 E166K162-G164 PolarHBondContact O-N 3.01Å; G164-E166 PolarHBondContact O-N 3.35Å
165N47.8Very low69.1Low167 Ų16776.6 Ų76.689%0.89342%0.42SS*.  trans-62.629.2179.8-71.6-9.9000114.9V167N165-V167 PolarHBondContact O-N 3.37Å
166E48Very low68.9Low134 Ų13472.7 Ų72.763%0.62640%0.4SS*.  trans-72.189.3165.7-75.1-175.6166.900107.5K162 G164 V168K162-E166 IonicContact NZ-OE2 3.34Å; K162-E166 PolarHBondContact NZ-OE2 3.35Å; G164-E166 PolarHBondContact O-N 3.35Å; E166-V168 PolarHBondContact O-N 2.98Å
167V52.2Low68.7Low78 Ų7875.2 Ų75.247%0.47342%0.417SS..  trans-58.2121.4171.3-173.60000107.3H87 N165 D169H87-V167 WeakPolarHBondContact CE1-CG1 3.11Å; N165-V167 PolarHBondContact O-N 3.37Å; V167-D169 WeakPolarHBondContact CG1-OD1 3.41Å; V167-D169 PolarHBondContact O-N 3.21Å
168V55.5Low68.4Low54 Ų5481.1 Ų81.133%0.32745%0.445SS..  trans-75.485.6169.7-176.40000106.8E166 D170 V174E166-V168 PolarHBondContact O-N 2.98Å; V168-D170 VanDerWaalsContact C-N 3.25Å; V168-D170 WeakPolarHBondContact CG1-O 3.47Å; V168-D170 PolarHBondContact O-N 3.34Å; V168-V174 HydrophobicContact CG1-CG2 3.61Å
169D55.6Low68.4Low110 Ų11082.1 Ų82.159%0.58845%0.448SS*.  trans-65.2-31.9-179.3-73.6-22.9000111.5V167V167-D169 WeakPolarHBondContact CG1-OD1 3.41Å; V167-D169 PolarHBondContact O-N 3.21Å
170D64.8Low68.7Low79 Ų7980.7 Ų80.742%0.42244%0.436SS..  trans-112.3102.3178.1-167.31000111.7V168 K172 A173V168-D170 VanDerWaalsContact C-N 3.25Å; V168-D170 WeakPolarHBondContact CG1-O 3.47Å; V168-D170 PolarHBondContact O-N 3.34Å; D170-K172 PolarHBondContact O-N 3Å; D170-K172 WeakPolarHBondContact OD1-CB 3.48Å; D170-K172 VanDerWaalsContact OD1-CG 3.29Å; D170-K172 WeakPolarHBondContact OD1-CG 3.49Å; D170-K172 PolarHBondContact OD1-N 3.43Å; D170-A173 PolarHBondContact O-N 3.17Å
171L67.4Low69.4Low5 Ų579.2 Ų79.23%0.02642%0.424CS..G310 helixtrans-56.1-22.6172.1-71-178.5000112C82 N149 C153 A173 V174 R241C82-L171 HydrophobicContact CB-CD1 4.09Å; C82-L171 WeakPolarHBondContact O-CB 3.42Å; C82-L171 VanDerWaalsContact O-CD1 3.3Å; C82-L171 WeakPolarHBondContact O-CD1 3.39Å; C82-L171 WeakPolarHBondContact O-CG 3.15Å; N149-L171 HydrophobicContact CB-CD1 4.44Å; C153-L171 HydrophobicContact CB-CD1 4.35Å; C153-L171 HydrophobicContact CB-CD2 4.27Å; L171-A173 PolarHBondContact O-N 3.48Å; L171-V174 HydrophobicContact CD2-CG2 4.21Å; L171-V174 WeakPolarHBondContact O-CB 3.27Å; L171-V174 PolarHBondContact O-N 3.42Å; L171-R241 VanDerWaalsContact O-CZ 3.28Å; L171-R241 PolarHBondContact O-NH1 3.06Å; L171-R241 PolarHBondContact O-NH2 3.06Å
172K67.5Low70.7Confident145 Ų14576.3 Ų76.363%0.6340%0.403SS*.G310 helixtrans-64.8-22.8176.8-62178179.8175.60113.2D170 R241D170-K172 PolarHBondContact O-N 3Å; D170-K172 WeakPolarHBondContact OD1-CB 3.48Å; D170-K172 VanDerWaalsContact OD1-CG 3.29Å; D170-K172 WeakPolarHBondContact OD1-CG 3.49Å; D170-K172 PolarHBondContact OD1-N 3.43Å; K172-R241 VanDerWaalsContact C-NH1 3.26Å; K172-R241 PolarHBondContact O-NH1 3.28Å
173A69.3Low72.3Confident82 Ų8271.7 Ų71.768%0.67839%0.388SS*.G310 helixtrans-85.7-10177.800000113.9D170 L171 D175D170-A173 PolarHBondContact O-N 3.17Å; L171-A173 PolarHBondContact O-N 3.48Å; A173-D175 PolarHBondContact O-N 3Å
174V72Confident74.4Confident15 Ų1561.8 Ų61.89%0.09135%0.352CS..  trans-69121.4179.7-179.40000110.3V168 L171 S176 Y179 R241V168-V174 HydrophobicContact CG1-CG2 3.61Å; L171-V174 HydrophobicContact CD2-CG2 4.21Å; L171-V174 WeakPolarHBondContact O-CB 3.27Å; L171-V174 PolarHBondContact O-N 3.42Å; V174-S176 PolarHBondContact O-N 3.28Å; V174-Y179 HydrophobicContact CG1-CD2 3.73Å; V174-Y179 HydrophobicContact CG1-CE2 3.43Å; V174-Y179 VanDerWaalsContact CG1-CE2 3.43Å; V174-R241 PolarHBondContact O-NH1 3.06Å
175D82.7Confident76.6Confident86 Ų8660.5 Ų60.546%0.4634%0.335SS..  trans-77.297.2162.3-175.81.9000109.2A173 C177 E178 Y179A173-D175 PolarHBondContact O-N 3Å; D175-C177 PolarHBondContact O-N 3.01Å; D175-C177 VanDerWaalsContact O-N 3.1Å; D175-C177 VanDerWaalsContact OD1-CB 3.25Å; D175-C177 WeakPolarHBondContact OD1-CB 3.35Å; D175-C177 PolarHBondContact OD1-N 3.32Å; D175-C177 PolarHBondContact OD1-SG 3.07Å; D175-E178 HydrophobicContact CB-CG 4.37Å; D175-E178 PolarHBondContact O-N 3.15Å; D175-Y179 WeakPolarHBondContact O-CD2 3.38Å
176S86.7Confident78.6Confident6 Ų656.2 Ų56.24%0.04233%0.33CS..G310 helixtrans-65.1-12.8-178.4-61.80000113.8F152 V174 E178 Y179 H242F152-S176 WeakPolarHBondContact CB-OG 3.44Å; V174-S176 PolarHBondContact O-N 3.28Å; S176-E178 PolarHBondContact O-N 3.01Å; S176-Y179 PolarHBondContact O-N 3.45Å; S176-Y179 VanDerWaalsContact O-N 3.14Å; S176-H242 WeakPolarHBondContact CB-ND1 3.44Å; S176-H242 PolarHBondContact OG-CE1 2.97Å; S176-H242 PolarHBondContact OG-ND1 3.02Å
177C88.2Confident80.7Confident53 Ų5351.6 Ų51.636%0.35831%0.308SS..G310 helixtrans-66.8-20.4171.8-57.90000112.7D175 Y179 I180 F187D175-C177 PolarHBondContact O-N 3.01Å; D175-C177 VanDerWaalsContact O-N 3.1Å; D175-C177 VanDerWaalsContact OD1-CB 3.25Å; D175-C177 WeakPolarHBondContact OD1-CB 3.35Å; D175-C177 PolarHBondContact OD1-N 3.32Å; D175-C177 PolarHBondContact OD1-SG 3.07Å; C177-Y179 VanDerWaalsContact C-N 3.27Å; C177-I180 WeakPolarHBondContact O-CG1 3.45Å; C177-F187 WeakPolarHBondContact O-CE2 3.31Å
178E88.6Confident82.5Confident125 Ų12552.7 Ų52.758%0.58433%0.325SS*.G310 helixtrans-78.6-13.3174.2-61.4-170.6156.700112.8D175 S176D175-E178 HydrophobicContact CB-CG 4.37Å; D175-E178 PolarHBondContact O-N 3.15Å; S176-E178 PolarHBondContact O-N 3.01Å
179Y91.2Very high84Confident25 Ų2552.8 Ų52.810%0.09833%0.332CS..G310 helixtrans-115.626.9-170.5-61.3-89.1000113.2P154 V158 A159 P161 V174 D175 S176 C177 W181P154-Y179 HydrophobicContact CG-CE1 4.22Å; V158-Y179 HydrophobicContact CB-CD1 3.84Å; V158-Y179 HydrophobicContact CB-CG 4.42Å; V158-Y179 HydrophobicContact CG2-CD1 3.37Å; V158-Y179 HydrophobicContact CG2-CE1 3.99Å; V158-Y179 HydrophobicContact CG2-CG 3.92Å; A159-Y179 WeakPolarHBondContact O-CE1 3.43Å; P161-Y179 WeakPolarHBondContact CD-OH 3.43Å; P161-Y179 HydrophobicContact CG-CE1 4.35Å; P161-Y179 WeakPolarHBondContact CG-OH 2.95Å; V174-Y179 HydrophobicContact CG1-CD2 3.73Å; V174-Y179 HydrophobicContact CG1-CE2 3.43Å; V174-Y179 VanDerWaalsContact CG1-CE2 3.43Å; D175-Y179 WeakPolarHBondContact O-CD2 3.38Å; S176-Y179 PolarHBondContact O-N 3.45Å; S176-Y179 VanDerWaalsContact O-N 3.14Å; C177-Y179 VanDerWaalsContact C-N 3.27Å; Y179-W181 PolarHBondContact O-N 3.19Å
180I94.9Very high85.5Confident6 Ų652.1 Ų52.13%0.03134%0.336CS..  trans-57.3136.3172.9-55.4-54.1000109.4C177 E182 F187 P191 P245 T248C177-I180 WeakPolarHBondContact O-CG1 3.45Å; I180-E182 WeakPolarHBondContact CG2-O 3.41Å; I180-E182 PolarHBondContact O-N 3.46Å; I180-F187 HydrophobicContact CB-CB 4.11Å; I180-F187 HydrophobicContact CB-CD1 3.61Å; I180-F187 HydrophobicContact CB-CD2 3.8Å; I180-F187 HydrophobicContact CB-CE1 3.84Å; I180-F187 HydrophobicContact CB-CE2 4.04Å; I180-F187 HydrophobicContact CB-CG 3.57Å; I180-F187 HydrophobicContact CB-CZ 4.05Å; I180-F187 HydrophobicContact CG1-CB 4.12Å; I180-F187 HydrophobicContact CG1-CD1 4.31Å; I180-F187 HydrophobicContact CG1-CD2 3.57Å; I180-F187 HydrophobicContact CG1-CE2 3.97Å; I180-F187 HydrophobicContact CG1-CG 3.76Å; I180-F187 HydrophobicContact CG1-CZ 4.47Å; I180-F187 HydrophobicContact CG2-CB 3.98Å; I180-F187 HydrophobicContact CG2-CD1 3.92Å; I180-F187 HydrophobicContact CG2-CG 3.93Å; I180-P191 WeakPolarHBondContact O-CG 3.34Å; I180-P245 HydrophobicContact CD1-CB 3.92Å; I180-T248 HydrophobicContact CD1-CG2 4.18Å; I180-T248 HydrophobicContact CG1-CG2 4.32Å; I180-T248 HydrophobicContact CG2-CG2 4.02Å
181W95.4Very high86.5Confident5 Ų550.3 Ų50.32%0.01933%0.328CS..SBendtrans-72.7-27.3-166.7-57.4-22.1000114.9L151 F152 Y179 L205 L246 S249 L250 V253 M278L151-W181 HydrophobicContact CB-CZ2 4.15Å; L151-W181 HydrophobicContact CD2-CH2 4.07Å; L151-W181 HydrophobicContact CD2-CZ2 3.96Å; F152-W181 AromaticContact CD1-NE1 3.86Å; F152-W181 AromaticContact CE1-CE2 3.97Å; F152-W181 HydrophobicContact CE1-CZ2 4.23Å; F152-W181 AromaticContact CE1-NE1 3.47Å; F152-W181 HydrophobicContact CE2-CZ2 4.43Å; F152-W181 AromaticContact CZ-CZ2 3.94Å; F152-W181 HydrophobicContact CZ-CZ2 3.94Å; Y179-W181 PolarHBondContact O-N 3.19Å; W181-L205 HydrophobicContact CH2-CD1 4.33Å; W181-L205 HydrophobicContact CH2-CD2 4.1Å; W181-L205 HydrophobicContact CZ3-CD1 4.19Å; W181-L246 HydrophobicContact CH2-CD1 3.71Å; W181-L246 HydrophobicContact CZ2-CD1 4.32Å; W181-S249 PolarHBondContact N-OG 3.33Å; W181-L250 HydrophobicContact CZ3-CD2 4.04Å; W181-V253 HydrophobicContact CB-CG2 3.89Å; W181-V253 HydrophobicContact CE3-CG2 4.04Å; W181-M278 HydrophobicContact CD2-CE 3.78Å; W181-M278 HydrophobicContact CE3-CE 3.21Å; W181-M278 HydrophobicContact CG-CE 4.39Å; W181-M278 HydrophobicContact CZ3-CE 3.69Å
182E94.9Very high87.4Confident29 Ų2954.5 Ų54.514%0.13636%0.356CS..SBendtrans-147.7152.1-175.7-73.8-62.8167.700111.1I180 N252 V253I180-E182 WeakPolarHBondContact CG2-O 3.41Å; I180-E182 PolarHBondContact O-N 3.46Å; E182-N252 HydrophobicContact CB-CB 4.04Å; E182-N252 WeakPolarHBondContact O-CB 3.34Å; E182-N252 PolarHBondContact O-ND2 2.74Å; E182-N252 VanDerWaalsContact O-ND2 3.08Å; E182-V253 HydrophobicContact CB-CG2 4.06Å; E182-V253 HydrophobicContact CG-CB 4.41Å; E182-V253 HydrophobicContact CG-CG2 3.51Å
183A95Very high88.4Confident28 Ų2852.3 Ų52.323%0.23134%0.344CS..SBendtrans-68.1147.2173.200000111.3F187 A189A183-F187 CarbonylContact C-O 3.53Å; A183-F187 WeakPolarHBondContact CA-O 3.39Å; A183-A189 WeakPolarHBondContact CB-O 3.33Å
184G95.5Very high89.5Confident24 Ų2450.8 Ų50.825%0.24733%0.326CS..BIsolated β-bridgetrans158.3-133.7-179.700000111.7G186 F187G184-G186 PolarHBondContact O-N 3.35Å; G184-F187 PolarHBondContact N-O 3.47Å; G184-F187 PolarHBondContact O-N 3.32Å; G184-F187 VanDerWaalsContact O-O 3.11Å
185I95.1Very high90.4Very high15 Ų1552.9 Ų52.98%0.07734%0.34CS..THydrogen-bonded Turntrans-61.7127.6-178-54.8-173.7000109.6F187 T248 I251 N252 I321 D326 F329 M330I185-F187 PolarHBondContact O-N 3.42Å; I185-T248 WeakPolarHBondContact O-CG2 3.35Å; I185-I251 HydrophobicContact CB-CG2 4.47Å; I185-I251 HydrophobicContact CD1-CG2 3.58Å; I185-I251 HydrophobicContact CG1-CG2 4.12Å; I185-N252 PolarHBondContact N-OD1 3.01Å; I185-N252 PolarHBondContact O-ND2 2.97Å; I185-I321 HydrophobicContact CD1-CD1 3.92Å; I185-I321 HydrophobicContact CG2-CD1 4.47Å; I185-D326 HydrophobicContact CD1-CB 4.19Å; I185-D326 HydrophobicContact CG1-CB 4.08Å; I185-D326 HydrophobicContact CG2-CB 4.31Å; I185-F329 HydrophobicContact CD1-CD1 4.29Å; I185-F329 HydrophobicContact CG1-CD1 3.72Å; I185-F329 HydrophobicContact CG1-CE1 4.13Å; I185-M330 HydrophobicContact CD1-CG 3.57Å; I185-M330 HydrophobicContact CD1-SD 3.66Å
186G90.7Very high90.9Very high76 Ų7650.4 Ų50.478%0.78433%0.332SS*.THydrogen-bonded Turntrans65.11.617600000115.8G184G184-G186 PolarHBondContact O-N 3.35Å
187F92.2Very high91.3Very high37 Ų3751.7 Ų51.716%0.16234%0.336CS..BIsolated β-bridgetrans-149110.1-176.8-164.7-101.6000111.4C177 I180 A183 G184 I185 A189 P191C177-F187 WeakPolarHBondContact O-CE2 3.31Å; I180-F187 HydrophobicContact CB-CB 4.11Å; I180-F187 HydrophobicContact CB-CD1 3.61Å; I180-F187 HydrophobicContact CB-CD2 3.8Å; I180-F187 HydrophobicContact CB-CE1 3.84Å; I180-F187 HydrophobicContact CB-CE2 4.04Å; I180-F187 HydrophobicContact CB-CG 3.57Å; I180-F187 HydrophobicContact CB-CZ 4.05Å; I180-F187 HydrophobicContact CG1-CB 4.12Å; I180-F187 HydrophobicContact CG1-CD1 4.31Å; I180-F187 HydrophobicContact CG1-CD2 3.57Å; I180-F187 HydrophobicContact CG1-CE2 3.97Å; I180-F187 HydrophobicContact CG1-CG 3.76Å; I180-F187 HydrophobicContact CG1-CZ 4.47Å; I180-F187 HydrophobicContact CG2-CB 3.98Å; I180-F187 HydrophobicContact CG2-CD1 3.92Å; I180-F187 HydrophobicContact CG2-CG 3.93Å; A183-F187 CarbonylContact C-O 3.53Å; A183-F187 WeakPolarHBondContact CA-O 3.39Å; G184-F187 PolarHBondContact N-O 3.47Å; G184-F187 PolarHBondContact O-N 3.32Å; G184-F187 VanDerWaalsContact O-O 3.11Å; I185-F187 PolarHBondContact O-N 3.42Å; F187-A189 HydrophobicContact CD1-CB 4.39Å; F187-A189 WeakPolarHBondContact CD1-O 3.13Å; F187-A189 HydrophobicContact CE1-CB 3.74Å; F187-A189 WeakPolarHBondContact CE1-O 3.44Å; F187-A189 HydrophobicContact CZ-CB 3.93Å; F187-P191 HydrophobicContact CE1-CG 4.25Å
188A89.6Confident91.6Very high101 Ų10149.2 Ų49.284%0.83532%0.319SS*.  trans-90.6-19.1-174.100000114.2
189A87.9Confident91.9Very high57 Ų5748.6 Ų48.647%0.47132%0.317SS..  trans-75.9139.2-178.200000110.5A183 F187 P191A183-A189 WeakPolarHBondContact CB-O 3.33Å; F187-A189 HydrophobicContact CD1-CB 4.39Å; F187-A189 WeakPolarHBondContact CD1-O 3.13Å; F187-A189 HydrophobicContact CE1-CB 3.74Å; F187-A189 WeakPolarHBondContact CE1-O 3.44Å; F187-A189 HydrophobicContact CZ-CB 3.93Å; A189-P191 WeakPolarHBondContact O-CD 3.33Å
190S85.2Confident92.2Very high95 Ų9549.1 Ų49.166%0.66432%0.318SS*.  trans-101.5102.9172.1-168.30000108.4
191P87Confident92.3Very high42 Ų4249.9 Ų49.927%0.27332%0.321SS..PPolyproline II helixtrans-64.5157.9177.9-15.429000111.4I180 F187 A189 Y193I180-P191 WeakPolarHBondContact O-CG 3.34Å; F187-P191 HydrophobicContact CE1-CG 4.25Å; A189-P191 WeakPolarHBondContact O-CD 3.33Å; P191-Y193 PolarHBondContact O-N 2.85Å
192P85.9Confident92.4Very high93 Ų9350 Ų5060%0.60432%0.322SS*.PPolyproline II helixtrans-63.8130.3173.826.8-33.6000111A159A159-P192 HydrophobicContact CB-CG 4.12Å
193Y88Confident92.5Very high99 Ų9949.7 Ų49.739%0.38832%0.321SS..PPolyproline II helixtrans-76.8123.5177-176.3-101.3000111.4P191 P195 A198 S274 Q275P191-Y193 PolarHBondContact O-N 2.85Å; Y193-P195 HydrophobicContact CD1-CG 4.42Å; Y193-P195 HydrophobicContact CE1-CG 3.92Å; Y193-A198 HydrophobicContact CE2-CB 4.26Å; Y193-S274 WeakPolarHBondContact OH-CB 3.48Å; Y193-S274 PolarHBondContact OH-OG 2.76Å; Y193-Q275 HydrophobicContact CE2-CB 4.26Å; Y193-Q275 PolarHBondContact OH-N 3.38Å; Y193-Q275 VanDerWaalsContact OH-N 3.16Å
194V92.2Very high92.6Very high49 Ų4948.4 Ų48.430%0.29731%0.31SS..  trans-124.6113.9175.6-179.20000108.7A196 Y197 A198V194-A196 VanDerWaalsContact C-N 3.29Å; V194-A196 HydrophobicContact CG1-CB 4.31Å; V194-A196 PolarHBondContact O-N 3.41Å; V194-Y197 HydrophobicContact CB-CD2 3.51Å; V194-Y197 HydrophobicContact CB-CE2 3.89Å; V194-Y197 HydrophobicContact CB-CG 3.86Å; V194-Y197 HydrophobicContact CG1-CD1 4.22Å; V194-Y197 HydrophobicContact CG1-CD2 4.03Å; V194-Y197 HydrophobicContact CG1-CE1 4.41Å; V194-Y197 HydrophobicContact CG1-CE2 4.19Å; V194-Y197 HydrophobicContact CG1-CG 4.02Å; V194-Y197 HydrophobicContact CG2-CD2 3.85Å; V194-Y197 HydrophobicContact CG2-CE2 3.77Å; V194-Y197 WeakPolarHBondContact O-CB 3.2Å; V194-Y197 PolarHBondContact O-N 2.78Å; V194-A198 PolarHBondContact O-N 3.02Å
195P92.3Very high92.8Very high59 Ų5947.2 Ų47.238%0.38330%0.298SS..Hα-helixtrans-52.4-42.4-178.3-30.435.5000114.2Y193 Y197 A198 E199 S274Y193-P195 HydrophobicContact CD1-CG 4.42Å; Y193-P195 HydrophobicContact CE1-CG 3.92Å; P195-Y197 VanDerWaalsContact C-N 3.26Å; P195-Y197 PolarHBondContact O-N 3.21Å; P195-A198 WeakPolarHBondContact O-CB 3.34Å; P195-A198 PolarHBondContact O-N 2.93Å; P195-A198 VanDerWaalsContact O-N 3.12Å; P195-E199 WeakPolarHBondContact O-CG 3.25Å; P195-E199 PolarHBondContact O-N 2.79Å; P195-S274 WeakPolarHBondContact CB-OG 3.27Å
196A92.9Very high92.9Very high35 Ų3548.5 Ų48.529%0.28930%0.301SS..Hα-helixtrans-62-32.6179.800000112.8V194 R200V194-A196 VanDerWaalsContact C-N 3.29Å; V194-A196 HydrophobicContact CG1-CB 4.31Å; V194-A196 PolarHBondContact O-N 3.41Å; A196-R200 VanDerWaalsContact O-CD 3.28Å; A196-R200 WeakPolarHBondContact O-CD 3.18Å; A196-R200 WeakPolarHBondContact O-CG 3.49Å; A196-R200 PolarHBondContact O-N 3.41Å
197Y95Very high93.2Very high33 Ų3344.9 Ų44.913%0.12926%0.264CS..Hα-helixtrans-70.4-41.2175.4-65.4-14000111.2F156 T157 A159 V194 P195 E199 R200 R201F156-Y197 WeakPolarHBondContact O-CD1 3.34Å; F156-Y197 WeakPolarHBondContact O-CE1 3.22Å; T157-Y197 WeakPolarHBondContact O-CB 3.37Å; A159-Y197 HydrophobicContact CB-CE2 4.24Å; V194-Y197 HydrophobicContact CB-CD2 3.51Å; V194-Y197 HydrophobicContact CB-CE2 3.89Å; V194-Y197 HydrophobicContact CB-CG 3.86Å; V194-Y197 HydrophobicContact CG1-CD1 4.22Å; V194-Y197 HydrophobicContact CG1-CD2 4.03Å; V194-Y197 HydrophobicContact CG1-CE1 4.41Å; V194-Y197 HydrophobicContact CG1-CE2 4.19Å; V194-Y197 HydrophobicContact CG1-CG 4.02Å; V194-Y197 HydrophobicContact CG2-CD2 3.85Å; V194-Y197 HydrophobicContact CG2-CE2 3.77Å; V194-Y197 WeakPolarHBondContact O-CB 3.2Å; V194-Y197 PolarHBondContact O-N 2.78Å; P195-Y197 VanDerWaalsContact C-N 3.26Å; P195-Y197 PolarHBondContact O-N 3.21Å; Y197-E199 VanDerWaalsContact C-N 3.35Å; Y197-E199 PolarHBondContact O-N 3Å; Y197-R200 PolarHBondContact O-N 2.82Å; Y197-R201 WeakPolarHBondContact O-CB 3.45Å; Y197-R201 WeakPolarHBondContact O-CG 3.24Å; Y197-R201 PolarHBondContact O-N 3Å
198A95Very high93.5Very high0 Ų043.1 Ų43.10%026%0.256CS..Hα-helixtrans-61.5-42175.800000112Y193 V194 P195 R201 T202 M278Y193-A198 HydrophobicContact CE2-CB 4.26Å; V194-A198 PolarHBondContact O-N 3.02Å; P195-A198 WeakPolarHBondContact O-CB 3.34Å; P195-A198 PolarHBondContact O-N 2.93Å; P195-A198 VanDerWaalsContact O-N 3.12Å; A198-R201 PolarHBondContact O-N 3.09Å; A198-T202 WeakPolarHBondContact O-CB 3.45Å; A198-T202 PolarHBondContact O-N 2.9Å; A198-T202 PolarHBondContact O-OG1 3.13Å; A198-M278 HydrophobicContact CB-SD 3.9Å
199E94.9Very high93.9Very high113 Ų11338.3 Ų38.353%0.52822%0.217SC..Hα-helixtrans-61.3-47.6176.3-70.5172.9179.600112.1P195 Y197 T202 E203P195-E199 WeakPolarHBondContact O-CG 3.25Å; P195-E199 PolarHBondContact O-N 2.79Å; Y197-E199 VanDerWaalsContact C-N 3.35Å; Y197-E199 PolarHBondContact O-N 3Å; E199-T202 VanDerWaalsContact O-CB 3.32Å; E199-T202 WeakPolarHBondContact O-CB 3.5Å; E199-T202 PolarHBondContact O-N 3.06Å; E199-E203 PolarHBondContact O-N 3.35Å; E199-E203 VanDerWaalsContact O-N 3.12Å
200R95.8Very high94.4Very high36 Ų3635.6 Ų35.614%0.13619%0.194CC..Hα-helixtrans-64.4-43.6178.5-67.3162.7-173-179.6-4.3112.4L96 F156 T157 A196 Y197 T202 E203 L204L96-R200 HydrophobicContact CD1-CG 4.12Å; L96-R200 HydrophobicContact CD2-CB 4.39Å; L96-R200 HydrophobicContact CD2-CG 4.2Å; F156-R200 HydrophobicContact CE2-CB 4.44Å; F156-R200 HydrophobicContact CE2-CG 4.11Å; F156-R200 HydrophobicContact CZ-CB 4.47Å; F156-R200 WeakPolarHBondContact O-CD 3.45Å; F156-R200 PolarHBondContact O-NH1 3.37Å; T157-R200 HydrophobicContact CG2-CB 4.18Å; A196-R200 VanDerWaalsContact O-CD 3.28Å; A196-R200 WeakPolarHBondContact O-CD 3.18Å; A196-R200 WeakPolarHBondContact O-CG 3.49Å; A196-R200 PolarHBondContact O-N 3.41Å; Y197-R200 PolarHBondContact O-N 2.82Å; R200-T202 VanDerWaalsContact C-N 3.27Å; R200-T202 PolarHBondContact O-N 3.12Å; R200-E203 PolarHBondContact O-N 2.8Å; R200-L204 WeakPolarHBondContact O-CG 3.37Å; R200-L204 PolarHBondContact O-N 3.1Å
201R97.4Very high95.1Very high22 Ų2231 Ų318%0.08316%0.163CC..Hα-helixtrans-58.4-42.5173.4-69.8170-164.7166.7-3.9110.3L151 T157 Y197 A198 E203 L204 L205 M278L151-R201 HydrophobicContact CD2-CB 4.37Å; L151-R201 HydrophobicContact CD2-CG 4.43Å; T157-R201 HydrophobicContact CG2-CG 4.07Å; T157-R201 PolarHBondContact O-NE 3.39Å; T157-R201 PolarHBondContact O-NH2 3.1Å; Y197-R201 WeakPolarHBondContact O-CB 3.45Å; Y197-R201 WeakPolarHBondContact O-CG 3.24Å; Y197-R201 PolarHBondContact O-N 3Å; A198-R201 PolarHBondContact O-N 3.09Å; R201-E203 PolarHBondContact O-N 2.81Å; R201-L204 PolarHBondContact O-N 3.06Å; R201-L205 WeakPolarHBondContact O-CB 3.43Å; R201-L205 WeakPolarHBondContact O-CG 3.42Å; R201-L205 PolarHBondContact O-N 3.31Å; R201-M278 HydrophobicContact CB-CE 4.01Å; R201-M278 HydrophobicContact CB-SD 4.16Å; R201-M278 VanDerWaalsContact CD-CE 3.41Å; R201-M278 HydrophobicContact CG-CE 4.35Å
202T97.2Very high95.6Very high6 Ų629.1 Ų29.14%0.03715%0.15CC..Hα-helixtrans-58.5-45.1177.7-56.10000111.8A198 E199 R200 R206 P277 M278 V281A198-T202 WeakPolarHBondContact O-CB 3.45Å; A198-T202 PolarHBondContact O-N 2.9Å; A198-T202 PolarHBondContact O-OG1 3.13Å; E199-T202 VanDerWaalsContact O-CB 3.32Å; E199-T202 WeakPolarHBondContact O-CB 3.5Å; E199-T202 PolarHBondContact O-N 3.06Å; R200-T202 VanDerWaalsContact C-N 3.27Å; R200-T202 PolarHBondContact O-N 3.12Å; T202-R206 WeakPolarHBondContact O-CB 3.41Å; T202-R206 VanDerWaalsContact O-CG 3.3Å; T202-R206 WeakPolarHBondContact O-CG 3.16Å; T202-R206 PolarHBondContact O-N 2.87Å; T202-P277 HydrophobicContact CG2-CB 4.35Å; T202-M278 WeakPolarHBondContact OG1-CA 3.23Å; T202-M278 WeakPolarHBondContact OG1-CB 3.33Å; T202-V281 HydrophobicContact CG2-CG2 4.07Å
203E96.9Very high96.1Very high24 Ų2424.7 Ų24.711%0.11212%0.121CC..Hα-helixtrans-64.8-42.9177.3-64.2-162.4-126.500112.6L96 V99 R100 E199 R200 R201 R206 L207L96-E203 HydrophobicContact CD2-CB 4.3Å; V99-E203 HydrophobicContact CG1-CB 4.23Å; V99-E203 WeakPolarHBondContact CG1-O 3.43Å; R100-E203 WeakPolarHBondContact CG-OE2 3.45Å; R100-E203 IonicContact CZ-OE1 3.94Å; R100-E203 IonicContact CZ-OE2 3.56Å; R100-E203 IonicContact NE-OE1 3.81Å; R100-E203 IonicContact NE-OE2 2.82Å; R100-E203 PolarHBondContact NE-OE2 3.21Å; R100-E203 IonicContact NH2-OE1 3.45Å; R100-E203 PolarHBondContact NH2-OE1 3.45Å; R100-E203 IonicContact NH2-OE2 3.75Å; E199-E203 PolarHBondContact O-N 3.35Å; E199-E203 VanDerWaalsContact O-N 3.12Å; R200-E203 PolarHBondContact O-N 2.8Å; R201-E203 PolarHBondContact O-N 2.81Å; E203-R206 PolarHBondContact O-N 2.81Å; E203-L207 PolarHBondContact O-N 3.48Å; E203-L207 VanDerWaalsContact O-N 3.11Å
204L98.3Very high96.5Very high0 Ų020.1 Ų20.10%010%0.103CC..Hα-helixtrans-64.1-43.6176.6-70.8168.6000112.4V99 I147 L150 L151 F156 T157 R200 R201 R206 L207 L208V99-L204 HydrophobicContact CG2-CD2 3.72Å; I147-L204 HydrophobicContact CG2-CB 4.21Å; I147-L204 HydrophobicContact CG2-CD2 4.36Å; L150-L204 HydrophobicContact CB-CD1 3.93Å; L150-L204 HydrophobicContact CB-CD2 4.03Å; L150-L204 HydrophobicContact CD1-CD2 4.12Å; L151-L204 HydrophobicContact CD2-CB 3.67Å; L151-L204 HydrophobicContact CD2-CD1 3.97Å; L151-L204 HydrophobicContact CG-CB 4.09Å; L151-L204 HydrophobicContact CG-CD1 4.18Å; F156-L204 HydrophobicContact CE1-CD1 4.03Å; T157-L204 HydrophobicContact CG2-CD1 3.75Å; R200-L204 WeakPolarHBondContact O-CG 3.37Å; R200-L204 PolarHBondContact O-N 3.1Å; R201-L204 PolarHBondContact O-N 3.06Å; L204-R206 VanDerWaalsContact C-N 3.31Å; L204-R206 PolarHBondContact O-N 2.91Å; L204-L207 PolarHBondContact O-N 3.45Å; L204-L208 PolarHBondContact O-N 3.21Å
205L98.4Very high96.6Very high0 Ų017.9 Ų17.90%09%0.09CC..Hα-helixtrans-64.9-35.7177.1-68.3172.7000111.6L151 W181 R201 L208 L209 L246 L250 M278 V281 A282 L285L151-L205 HydrophobicContact CD1-CD2 4.02Å; L151-L205 HydrophobicContact CD2-CD2 4.06Å; L151-L205 HydrophobicContact CD2-CG 4.05Å; W181-L205 HydrophobicContact CH2-CD1 4.33Å; W181-L205 HydrophobicContact CH2-CD2 4.1Å; W181-L205 HydrophobicContact CZ3-CD1 4.19Å; R201-L205 WeakPolarHBondContact O-CB 3.43Å; R201-L205 WeakPolarHBondContact O-CG 3.42Å; R201-L205 PolarHBondContact O-N 3.31Å; L205-L208 PolarHBondContact O-N 3.38Å; L205-L209 WeakPolarHBondContact O-CB 3.19Å; L205-L209 PolarHBondContact O-N 3.43Å; L205-L246 HydrophobicContact CD2-CD1 4.34Å; L205-L250 HydrophobicContact CD1-CD2 4.42Å; L205-L250 HydrophobicContact CD2-CD2 4.1Å; L205-M278 HydrophobicContact CD1-CG 4.45Å; L205-V281 HydrophobicContact CB-CB 4.44Å; L205-V281 HydrophobicContact CB-CG1 3.56Å; L205-A282 HydrophobicContact CD1-CB 4.39Å; L205-L285 HydrophobicContact CD2-CD2 3.43Å; L205-L285 VanDerWaalsContact CD2-CD2 3.43Å
206R97.6Very high96.7Very high41 Ų4115.1 Ų15.116%0.1557%0.072CC..Hα-helixtrans-63.9-43.8174-79175.6176.2147-6.6111.8T202 E203 L204 L208 L209 T210 V281 D748 I751T202-R206 WeakPolarHBondContact O-CB 3.41Å; T202-R206 VanDerWaalsContact O-CG 3.3Å; T202-R206 WeakPolarHBondContact O-CG 3.16Å; T202-R206 PolarHBondContact O-N 2.87Å; E203-R206 PolarHBondContact O-N 2.81Å; L204-R206 VanDerWaalsContact C-N 3.31Å; L204-R206 PolarHBondContact O-N 2.91Å; R206-L208 VanDerWaalsContact C-N 3.32Å; R206-L208 PolarHBondContact O-N 2.85Å; R206-L209 PolarHBondContact O-N 2.94Å; R206-T210 WeakPolarHBondContact O-CB 3.3Å; R206-T210 PolarHBondContact O-N 3.23Å; R206-T210 PolarHBondContact O-OG1 2.72Å; R206-V281 HydrophobicContact CG-CB 4.49Å; R206-V281 HydrophobicContact CG-CG1 3.86Å; R206-V281 HydrophobicContact CG-CG2 3.77Å; R206-D748 PolarHBondContact NH2-O 3.39Å; R206-I751 HydrophobicContact CB-CD1 4.36Å; R206-I751 HydrophobicContact CG-CD1 4.46Å
207L98.2Very high96.9Very high0 Ų013.4 Ų13.40%06%0.058CC..Hα-helixtrans-62.8-42.1174.7176.658.2000111.3L78 V99 L102 T103 L106 L143 I147 E203 L204 T210 C211L78-L207 HydrophobicContact CD1-CD2 4.47Å; V99-L207 HydrophobicContact CB-CD2 4.22Å; V99-L207 HydrophobicContact CG1-CB 3.89Å; V99-L207 HydrophobicContact CG1-CD2 3.94Å; V99-L207 HydrophobicContact CG2-CD2 4.14Å; L102-L207 HydrophobicContact CB-CD1 3.62Å; L102-L207 HydrophobicContact CB-CD2 4.13Å; L102-L207 HydrophobicContact CD1-CD2 4.17Å; T103-L207 WeakPolarHBondContact OG1-CB 3.35Å; L106-L207 HydrophobicContact CD1-CD1 3.78Å; L143-L207 HydrophobicContact CD1-CD2 4.21Å; I147-L207 HydrophobicContact CD1-CB 4.45Å; I147-L207 HydrophobicContact CD1-CD2 3.77Å; I147-L207 HydrophobicContact CD1-CG 3.72Å; I147-L207 HydrophobicContact CG1-CD2 4.03Å; I147-L207 HydrophobicContact CG1-CG 4.45Å; E203-L207 PolarHBondContact O-N 3.48Å; E203-L207 VanDerWaalsContact O-N 3.11Å; L204-L207 PolarHBondContact O-N 3.45Å; L207-T210 WeakPolarHBondContact O-CB 3.47Å; L207-T210 PolarHBondContact O-N 3.45Å; L207-C211 PolarHBondContact O-N 2.86Å; L207-C211 PolarHBondContact O-SG 3.44Å
208L98.4Very high96.8Very high0 Ų013.4 Ų13.40%06%0.059CC..Hα-helixtrans-62.3-45.4177.4-171.754.8000111.9I144 I147 L151 L204 L205 R206 T210 C211 L212 L235 L246 L285I144-L208 HydrophobicContact CD1-CD1 3.31Å; I147-L208 HydrophobicContact CD1-CD1 4.47Å; I147-L208 HydrophobicContact CG2-CB 4.16Å; L151-L208 HydrophobicContact CD1-CD2 4.36Å; L204-L208 PolarHBondContact O-N 3.21Å; L205-L208 PolarHBondContact O-N 3.38Å; R206-L208 VanDerWaalsContact C-N 3.32Å; R206-L208 PolarHBondContact O-N 2.85Å; L208-T210 VanDerWaalsContact C-N 3.28Å; L208-T210 PolarHBondContact O-N 3.2Å; L208-C211 WeakPolarHBondContact O-CB 3.47Å; L208-C211 PolarHBondContact O-N 2.91Å; L208-C211 VanDerWaalsContact O-N 3.16Å; L208-L212 PolarHBondContact O-N 3.32Å; L208-L212 VanDerWaalsContact O-N 3.16Å; L208-L235 HydrophobicContact CD1-CD1 4.09Å; L208-L235 HydrophobicContact CD1-CD2 4.2Å; L208-L235 HydrophobicContact CD2-CD1 3.9Å; L208-L235 HydrophobicContact CD2-CD2 4.18Å; L208-L235 HydrophobicContact CG-CD1 4.46Å; L208-L235 HydrophobicContact CG-CD2 4.2Å; L208-L246 HydrophobicContact CD2-CD2 4.11Å; L208-L285 HydrophobicContact CB-CD1 4.39Å; L208-L285 HydrophobicContact CD2-CD1 4.18Å; L208-L285 HydrophobicContact CD2-CD2 3.69Å; L208-L285 HydrophobicContact CG-CD1 3.91Å; L208-L285 HydrophobicContact CG-CD2 4.26Å
209L98.3Very high96.6Very high0 Ų015.8 Ų15.80%07%0.074CC..Hα-helixtrans-61.5-38.2173.9-178.661.3000111.8L205 R206 C211 L212 S213 Q284 L285 A288 W739 L742 W752L205-L209 WeakPolarHBondContact O-CB 3.19Å; L205-L209 PolarHBondContact O-N 3.43Å; R206-L209 PolarHBondContact O-N 2.94Å; L209-C211 VanDerWaalsContact C-N 3.32Å; L209-C211 PolarHBondContact O-N 2.66Å; L209-L212 PolarHBondContact O-N 2.91Å; L209-S213 PolarHBondContact O-N 3.15Å; L209-S213 VanDerWaalsContact O-N 3.16Å; L209-Q284 HydrophobicContact CD2-CB 3.79Å; L209-L285 HydrophobicContact CB-CD1 4.37Å; L209-A288 HydrophobicContact CD1-CB 3.99Å; L209-W739 HydrophobicContact CD1-CH2 4.09Å; L209-W739 HydrophobicContact CD1-CZ3 4.36Å; L209-L742 HydrophobicContact CD1-CD1 4.14Å; L209-W752 HydrophobicContact CD2-CH2 3.95Å; L209-W752 HydrophobicContact CG-CH2 4.02Å; L209-W752 HydrophobicContact CG-CZ2 4.3Å
210T98.1Very high96.2Very high0 Ų012.7 Ų12.70%07%0.065CC..Hα-helixtrans-61.4-41174.6-57.20000111L106 P107 R206 L207 L208 L212 S213 I751L106-T210 HydrophobicContact CB-CG2 4.01Å; L106-T210 HydrophobicContact CD1-CG2 4.49Å; P107-T210 HydrophobicContact CG-CG2 3.78Å; R206-T210 WeakPolarHBondContact O-CB 3.3Å; R206-T210 PolarHBondContact O-N 3.23Å; R206-T210 PolarHBondContact O-OG1 2.72Å; L207-T210 WeakPolarHBondContact O-CB 3.47Å; L207-T210 PolarHBondContact O-N 3.45Å; L208-T210 VanDerWaalsContact C-N 3.28Å; L208-T210 PolarHBondContact O-N 3.2Å; T210-L212 PolarHBondContact O-N 3.42Å; T210-S213 WeakPolarHBondContact O-CB 3.27Å; T210-S213 PolarHBondContact O-N 3.37Å; T210-S213 VanDerWaalsContact O-N 3.15Å; T210-S213 PolarHBondContact O-OG 3.28Å; T210-I751 HydrophobicContact CG2-CG2 4.11Å
211C98.1Very high95.7Very high0 Ų016.1 Ų16.10%09%0.09CC..Hα-helixtrans-61-43.4174.4-61.70000111.8I144 L207 L208 L209 S213 W231I144-C211 HydrophobicContact CD1-CB 4.18Å; L207-C211 PolarHBondContact O-N 2.86Å; L207-C211 PolarHBondContact O-SG 3.44Å; L208-C211 WeakPolarHBondContact O-CB 3.47Å; L208-C211 PolarHBondContact O-N 2.91Å; L208-C211 VanDerWaalsContact O-N 3.16Å; L209-C211 VanDerWaalsContact C-N 3.32Å; L209-C211 PolarHBondContact O-N 2.66Å; C211-S213 PolarHBondContact O-N 2.84Å; C211-W231 HydrophobicContact CB-CD2 3.97Å; C211-W231 HydrophobicContact CB-CE3 3.62Å; C211-W231 HydrophobicContact CB-CG 4.45Å; C211-W231 HydrophobicContact CB-CZ3 3.98Å; C211-W231 VanDerWaalsContact O-CG 3.31Å
212L97.5Very high95Very high1 Ų116.3 Ų16.31%0.00510%0.096CC..Hα-helixtrans-66.1-18.6178.1-60.9-171.1000113.5L208 L209 T210 E214 N229 W231 L232 L235 L285 A288 W739L208-L212 PolarHBondContact O-N 3.32Å; L208-L212 VanDerWaalsContact O-N 3.16Å; L209-L212 PolarHBondContact O-N 2.91Å; T210-L212 PolarHBondContact O-N 3.42Å; L212-E214 VanDerWaalsContact C-N 3.25Å; L212-E214 PolarHBondContact O-N 2.85Å; L212-N229 PolarHBondContact O-ND2 3.17Å; L212-W231 HydrophobicContact CD2-CB 3.94Å; L212-L232 HydrophobicContact CD2-CB 4.09Å; L212-L232 HydrophobicContact CD2-CD1 4.48Å; L212-L235 HydrophobicContact CD1-CD2 3.93Å; L212-L235 HydrophobicContact CD2-CD2 4.09Å; L212-L235 HydrophobicContact CG-CD2 4.38Å; L212-L285 HydrophobicContact CD1-CD1 3.62Å; L212-L285 HydrophobicContact CG-CD1 4.46Å; L212-A288 HydrophobicContact CD1-CB 4.03Å; L212-W739 HydrophobicContact CB-CH2 3.99Å; L212-W739 HydrophobicContact CB-CZ2 4.22Å; L212-W739 WeakPolarHBondContact O-CZ2 3.45Å
213S96.9Very high94.4Very high0 Ų016.3 Ų16.30%010%0.096CC..G310 helixtrans-74.5-3.5-175.277.70000115.3L209 T210 C211 V215 I216 W739 W752L209-S213 PolarHBondContact O-N 3.15Å; L209-S213 VanDerWaalsContact O-N 3.16Å; T210-S213 WeakPolarHBondContact O-CB 3.27Å; T210-S213 PolarHBondContact O-N 3.37Å; T210-S213 VanDerWaalsContact O-N 3.15Å; T210-S213 PolarHBondContact O-OG 3.28Å; C211-S213 PolarHBondContact O-N 2.84Å; S213-V215 PolarHBondContact O-N 3.23Å; S213-I216 VanDerWaalsContact O-CG1 3.28Å; S213-I216 WeakPolarHBondContact O-CG1 3.3Å; S213-I216 PolarHBondContact O-N 2.91Å; S213-W739 VanDerWaalsContact CA-CH2 3.41Å; S213-W739 VanDerWaalsContact CB-CZ3 3.5Å; S213-W752 PolarHBondContact OG-NE1 3.15Å
214E96.2Very high93.5Very high4 Ų416.6 Ų16.62%0.01910%0.101CC..G310 helixtrans-47.5-34.7177.8-175.6176.8122.700112.5F110 R116 L212 I216 Y217 H218 W231F110-E214 HydrophobicContact CD1-CB 4.45Å; F110-E214 HydrophobicContact CD1-CG 4.21Å; F110-E214 HydrophobicContact CD2-CB 4.27Å; F110-E214 HydrophobicContact CE1-CB 4.5Å; F110-E214 HydrophobicContact CE2-CB 4.32Å; F110-E214 HydrophobicContact CG-CB 4.35Å; F110-E214 HydrophobicContact CG-CG 4.33Å; F110-E214 HydrophobicContact CZ-CB 4.43Å; R116-E214 HydrophobicContact CG-CG 4.09Å; L212-E214 VanDerWaalsContact C-N 3.25Å; L212-E214 PolarHBondContact O-N 2.85Å; E214-I216 PolarHBondContact O-N 2.91Å; E214-I216 VanDerWaalsContact O-N 3.13Å; E214-Y217 WeakPolarHBondContact O-CD2 3.24Å; E214-Y217 PolarHBondContact O-N 3.28Å; E214-H218 PolarHBondContact O-CD2 3.16Å; E214-W231 PolarHBondContact OE2-NE1 3.07Å
215V94.9Very high92.6Very high1 Ų120.9 Ų20.91%0.00613%0.127CC..G310 helixtrans-55.8-29.317963.20000114.6S213 Y217 H218 V223 Y227 W739 L759S213-V215 PolarHBondContact O-N 3.23Å; V215-Y217 PolarHBondContact O-N 2.95Å; V215-H218 PolarHBondContact O-N 3.35Å; V215-V223 HydrophobicContact CG2-CG1 3.96Å; V215-V223 HydrophobicContact CG2-CG2 4.08Å; V215-Y227 WeakPolarHBondContact CA-OH 3.48Å; V215-Y227 HydrophobicContact CB-CE1 3.57Å; V215-Y227 HydrophobicContact CG2-CD1 3.99Å; V215-Y227 HydrophobicContact CG2-CE1 3.44Å; V215-Y227 VanDerWaalsContact CG2-CE1 3.44Å; V215-Y227 PolarHBondContact N-OH 2.82Å; V215-W739 HydrophobicContact CG1-CD2 3.92Å; V215-W739 HydrophobicContact CG1-CG 4.11Å; V215-W739 HydrophobicContact CG1-CZ2 3.82Å; V215-W739 VanDerWaalsContact CG1-NE1 3.26Å; V215-L759 HydrophobicContact CG2-CD2 4.47Å
216I95.4Very high91.6Very high1 Ų126.8 Ų26.81%0.00516%0.163CC..G310 helixtrans-71.2-17.3-17978.3-173.1000112.5S213 E214 W739 W752 I757 Q758 L759 F760S213-I216 VanDerWaalsContact O-CG1 3.28Å; S213-I216 WeakPolarHBondContact O-CG1 3.3Å; S213-I216 PolarHBondContact O-N 2.91Å; E214-I216 PolarHBondContact O-N 2.91Å; E214-I216 VanDerWaalsContact O-N 3.13Å; I216-W739 HydrophobicContact CG2-CB 3.7Å; I216-W739 HydrophobicContact CG2-CD2 3.73Å; I216-W739 HydrophobicContact CG2-CE3 3.67Å; I216-W739 HydrophobicContact CG2-CG 3.76Å; I216-W752 HydrophobicContact CD1-CB 4.29Å; I216-W752 VanDerWaalsContact CD1-CD1 3.5Å; I216-W752 HydrophobicContact CD1-CG 3.87Å; I216-I757 HydrophobicContact CB-CG2 4.32Å; I216-I757 HydrophobicContact CD1-CD1 4.2Å; I216-I757 HydrophobicContact CD1-CG1 3.99Å; I216-I757 HydrophobicContact CG1-CG1 4.1Å; I216-I757 WeakPolarHBondContact O-CG2 3.42Å; I216-Q758 PolarHBondContact O-N 3.28Å; I216-L759 HydrophobicContact CB-CB 4.48Å; I216-L759 HydrophobicContact CG2-CD2 4.35Å; I216-L759 PolarHBondContact O-N 2.92Å; I216-F760 HydrophobicContact CB-CE1 4.49Å; I216-F760 HydrophobicContact CG2-CE1 4.29Å
217Y96Very high91Very high0 Ų026.3 Ų26.30%016%0.162CC..G310 helixtrans-93.84.8179.3-55.8-79.2000113.4P107 F110 E111 R116 E214 V215 S755 I757 Q758P107-Y217 WeakPolarHBondContact CA-OH 3.43Å; P107-Y217 WeakPolarHBondContact CB-OH 3.39Å; P107-Y217 WeakPolarHBondContact O-CE1 3.49Å; P107-Y217 PolarHBondContact O-OH 3.33Å; F110-Y217 HydrophobicContact CB-CD2 3.31Å; F110-Y217 HydrophobicContact CB-CE2 3.53Å; F110-Y217 HydrophobicContact CB-CG 3.88Å; F110-Y217 HydrophobicContact CD2-CD2 4.25Å; F110-Y217 AromaticContact CD2-CE2 3.94Å; F110-Y217 HydrophobicContact CD2-CE2 3.94Å; F110-Y217 HydrophobicContact CG-CD2 4.22Å; F110-Y217 HydrophobicContact CG-CE2 4.25Å; F110-Y217 VanDerWaalsContact O-CB 3.23Å; F110-Y217 WeakPolarHBondContact O-CB 3.5Å; E111-Y217 HydrophobicContact CG-CD1 4.22Å; E111-Y217 HydrophobicContact CG-CE1 4.05Å; R116-Y217 PolarHBondContact NH2-O 2.97Å; E214-Y217 WeakPolarHBondContact O-CD2 3.24Å; E214-Y217 PolarHBondContact O-N 3.28Å; V215-Y217 PolarHBondContact O-N 2.95Å; Y217-S755 PolarHBondContact OH-OG 2.92Å; Y217-I757 HydrophobicContact CE1-CG1 4.42Å; Y217-Q758 PolarHBondContact O-OE1 3.15Å
218H93.5Very high90.5Very high33 Ų3331.6 Ų31.615%0.15319%0.186CC..SBendtrans-100.2141.4172.2-75.8-102.7000110.5R116 E214 V215 V223 Y227 Q758 L759R116-H218 VanDerWaalsContact CD-NE2 3.34Å; R116-H218 WeakPolarHBondContact CD-NE2 3.48Å; E214-H218 PolarHBondContact O-CD2 3.16Å; V215-H218 PolarHBondContact O-N 3.35Å; H218-V223 HydrophobicContact CB-CG2 3.39Å; H218-Y227 HydrophobicContact CB-CD2 4.41Å; H218-Y227 AromaticContact CD2-CD2 3.84Å; H218-Y227 AromaticContact CD2-CE2 3.42Å; H218-Y227 VanDerWaalsContact CD2-CE2 3.42Å; H218-Y227 WeakPolarHBondContact CD2-CE2 3.29Å; H218-Y227 AromaticContact CE1-CD2 3.57Å; H218-Y227 AromaticContact CE1-CE2 3.63Å; H218-Y227 AromaticContact CG-CD2 3.66Å; H218-Y227 AromaticContact CG-CE2 3.75Å; H218-Y227 AromaticContact ND1-CD2 3.5Å; H218-Y227 WeakPolarHBondContact ND1-CD2 3.17Å; H218-Y227 AromaticContact ND1-CE2 3.88Å; H218-Y227 AromaticContact NE2-CD2 3.82Å; H218-Y227 AromaticContact NE2-CE2 3.39Å; H218-Y227 WeakPolarHBondContact NE2-CE2 3.25Å; H218-Q758 CarbonylContact O-C 3.12Å; H218-L759 WeakPolarHBondContact O-CA 3.44Å; H218-L759 PolarHBondContact O-N 3.01Å
219P90.7Very high90.2Very high50 Ų5032.6 Ų32.633%0.32519%0.192SC..  trans-59.2142.6173.3-21.231.3000111.1T221 A222 V223 Q758P219-T221 PolarHBondContact O-N 3.03Å; P219-A222 PolarHBondContact O-N 2.87Å; P219-V223 PolarHBondContact O-N 3.41Å; P219-Q758 VanDerWaalsContact CD-OE1 3.23Å; P219-Q758 VanDerWaalsContact CG-OE1 3.31Å
220S86.6Confident90Very high47 Ų4737.2 Ų37.233%0.32921%0.209SC..Hα-helixtrans-50.9-36178.9-179.60000113.4V223 S224S220-V223 PolarHBondContact O-N 3.46Å; S220-S224 WeakPolarHBondContact O-CB 3.33Å; S220-S224 PolarHBondContact O-N 3.03Å; S220-S224 PolarHBondContact O-OG 2.72Å
221T85.3Confident89.9Confident109 Ų10937.2 Ų37.267%0.66921%0.209SC*.Hα-helixtrans-65.4-41.9176.750.90000113.2P219 T225P219-T221 PolarHBondContact O-N 3.03Å; T221-T225 WeakPolarHBondContact O-CG2 3.44Å; T221-T225 PolarHBondContact O-N 3.49Å; T221-T225 PolarHBondContact O-OG1 3.09Å
222A83.2Confident89.8Confident25 Ų2537.8 Ų37.821%0.20721%0.212CC..Hα-helixtrans-70.4-41.4176.700000111P219 S224 T225 T226 Y227P219-A222 PolarHBondContact O-N 2.87Å; A222-S224 VanDerWaalsContact C-N 3.26Å; A222-S224 PolarHBondContact O-N 3.15Å; A222-T225 PolarHBondContact O-N 3.12Å; A222-T225 VanDerWaalsContact O-N 3.09Å; A222-T225 PolarHBondContact O-OG1 3.39Å; A222-T226 PolarHBondContact O-N 3.03Å; A222-Y227 WeakPolarHBondContact O-CB 3.33Å; A222-Y227 PolarHBondContact O-N 2.76Å
223V82.7Confident89.6Confident6 Ų639.8 Ų39.84%0.03622%0.223CC..Hα-helixtrans-59.4-39.9176.71750000111.9V215 H218 P219 S220 T225 Y227 R735 L759V215-V223 HydrophobicContact CG2-CG1 3.96Å; V215-V223 HydrophobicContact CG2-CG2 4.08Å; H218-V223 HydrophobicContact CB-CG2 3.39Å; P219-V223 PolarHBondContact O-N 3.41Å; S220-V223 PolarHBondContact O-N 3.46Å; V223-T225 VanDerWaalsContact C-N 3.27Å; V223-T225 PolarHBondContact O-N 3.33Å; V223-Y227 HydrophobicContact CG1-CD1 4.41Å; V223-Y227 HydrophobicContact CG2-CD1 4.33Å; V223-Y227 HydrophobicContact CG2-CG 4.39Å; V223-R735 VanDerWaalsContact CG1-CD 3.43Å; V223-L759 HydrophobicContact CB-CD1 4.14Å; V223-L759 HydrophobicContact CG1-CD1 4.14Å; V223-L759 HydrophobicContact CG2-CD1 4.03Å
224S79.6Confident89.6Confident30 Ų3040.6 Ų40.621%0.2123%0.229CC..Hα-helixtrans-71.3-22.5179.3-53.10000112.4S220 A222 R728 D732S220-S224 WeakPolarHBondContact O-CB 3.33Å; S220-S224 PolarHBondContact O-N 3.03Å; S220-S224 PolarHBondContact O-OG 2.72Å; A222-S224 VanDerWaalsContact C-N 3.26Å; A222-S224 PolarHBondContact O-N 3.15Å; S224-R728 PolarHBondContact O-NE 3.11Å; S224-R728 PolarHBondContact O-NH2 3.38Å; S224-D732 WeakPolarHBondContact CB-OD2 3.48Å
225T78.6Confident89.6Confident91 Ų9140.4 Ų40.456%0.55823%0.228SC*.Hα-helixtrans-112.1-56.6-165.551.50000116.3T221 A222 V223T221-T225 WeakPolarHBondContact O-CG2 3.44Å; T221-T225 PolarHBondContact O-N 3.49Å; T221-T225 PolarHBondContact O-OG1 3.09Å; A222-T225 PolarHBondContact O-N 3.12Å; A222-T225 VanDerWaalsContact O-N 3.09Å; A222-T225 PolarHBondContact O-OG1 3.39Å; V223-T225 VanDerWaalsContact C-N 3.27Å; V223-T225 PolarHBondContact O-N 3.33Å
226T78.3Confident89.6Confident123 Ų12340.5 Ų40.576%0.75523%0.229SC*.THydrogen-bonded Turntrans-125.8-9.5-167.158.50000113.4A222A222-T226 PolarHBondContact O-N 3.03Å
227Y84.2Confident89.5Confident31 Ų3141.7 Ų41.712%0.12224%0.238CC..  trans-79.3131.6-173.6179.4-102000112V215 H218 A222 V223 N229V215-Y227 WeakPolarHBondContact CA-OH 3.48Å; V215-Y227 HydrophobicContact CB-CE1 3.57Å; V215-Y227 HydrophobicContact CG2-CD1 3.99Å; V215-Y227 HydrophobicContact CG2-CE1 3.44Å; V215-Y227 VanDerWaalsContact CG2-CE1 3.44Å; V215-Y227 PolarHBondContact N-OH 2.82Å; H218-Y227 HydrophobicContact CB-CD2 4.41Å; H218-Y227 AromaticContact CD2-CD2 3.84Å; H218-Y227 AromaticContact CD2-CE2 3.42Å; H218-Y227 VanDerWaalsContact CD2-CE2 3.42Å; H218-Y227 WeakPolarHBondContact CD2-CE2 3.29Å; H218-Y227 AromaticContact CE1-CD2 3.57Å; H218-Y227 AromaticContact CE1-CE2 3.63Å; H218-Y227 AromaticContact CG-CD2 3.66Å; H218-Y227 AromaticContact CG-CE2 3.75Å; H218-Y227 AromaticContact ND1-CD2 3.5Å; H218-Y227 WeakPolarHBondContact ND1-CD2 3.17Å; H218-Y227 AromaticContact ND1-CE2 3.88Å; H218-Y227 AromaticContact NE2-CD2 3.82Å; H218-Y227 AromaticContact NE2-CE2 3.39Å; H218-Y227 WeakPolarHBondContact NE2-CE2 3.25Å; A222-Y227 WeakPolarHBondContact O-CB 3.33Å; A222-Y227 PolarHBondContact O-N 2.76Å; V223-Y227 HydrophobicContact CG1-CD1 4.41Å; V223-Y227 HydrophobicContact CG2-CD1 4.33Å; V223-Y227 HydrophobicContact CG2-CG 4.39Å; Y227-N229 HydrophobicContact CE1-CB 3.9Å
228E87.5Confident89.3Confident111 Ų11144.5 Ų44.552%0.51926%0.261SS..  trans-123.8129.8169.4-169.2-179-159.100109R230 L233E228-R230 PolarHBondContact O-N 3.07Å; E228-L233 HydrophobicContact CG-CD1 3.77Å; E228-L233 HydrophobicContact CG-CD2 4.42Å; E228-L233 HydrophobicContact CG-CG 4.23Å; E228-L233 WeakPolarHBondContact OE1-CD1 3.35Å; E228-L233 WeakPolarHBondContact OE1-CD2 3.47Å
229N92.2Very high89.2Confident21 Ų2148.4 Ų48.411%0.11228%0.283CS..  trans-79.890.9-178.9-169.5-23.6000110.3L212 Y227 W231 L232 L233L212-N229 PolarHBondContact O-ND2 3.17Å; Y227-N229 HydrophobicContact CE1-CB 3.9Å; N229-W231 PolarHBondContact O-N 3.18Å; N229-W231 WeakPolarHBondContact OD1-CB 3.42Å; N229-W231 PolarHBondContact OD1-N 3.2Å; N229-L232 HydrophobicContact CB-CB 3.94Å; N229-L232 WeakPolarHBondContact O-CB 3.47Å; N229-L232 PolarHBondContact O-N 3.34Å; N229-L232 PolarHBondContact OD1-N 3.25Å; N229-L233 PolarHBondContact O-N 3.01Å
230R93.9Very high89.4Confident98 Ų9846.3 Ų46.337%0.3727%0.269SS..Hα-helixtrans-59.3-29.6-179.4-66.5-176.2-70.6-179.4-0.5113.5W120 E228 L233 A234W120-R230 VanDerWaalsContact CB-NH1 3.35Å; W120-R230 HydrophobicContact CD2-CB 3.96Å; W120-R230 VanDerWaalsContact CE2-CB 3.47Å; W120-R230 HydrophobicContact CE3-CB 4.35Å; W120-R230 VanDerWaalsContact CG-CZ 3.43Å; W120-R230 VanDerWaalsContact CH2-C 3.45Å; W120-R230 HydrophobicContact CH2-CB 3.91Å; W120-R230 WeakPolarHBondContact CH2-O 3.31Å; W120-R230 HydrophobicContact CZ2-CB 3.47Å; W120-R230 VanDerWaalsContact CZ2-CB 3.47Å; W120-R230 WeakPolarHBondContact CZ2-O 3.45Å; W120-R230 HydrophobicContact CZ3-CB 4.32Å; E228-R230 PolarHBondContact O-N 3.07Å; R230-L233 HydrophobicContact CG-CD1 4.5Å; R230-L233 PolarHBondContact O-N 3.37Å; R230-A234 PolarHBondContact O-N 2.88Å
231W96.5Very high89.6Confident0 Ų048.6 Ų48.60%027%0.27CS..Hα-helixtrans-65.9-42.2174.7-63.896.6000111.3F110 F119 W120 A140 L143 I144 C211 L212 E214 N229 A234 L235F110-W231 AromaticContact CE1-CZ2 3.88Å; F110-W231 HydrophobicContact CE1-CZ2 3.88Å; F110-W231 AromaticContact CE1-NE1 3.96Å; F110-W231 AromaticContact CZ-CE2 3.92Å; F110-W231 AromaticContact CZ-CZ2 3.79Å; F110-W231 HydrophobicContact CZ-CZ2 3.79Å; F110-W231 AromaticContact CZ-NE1 3.89Å; F119-W231 HydrophobicContact CB-CH2 4.05Å; F119-W231 HydrophobicContact CB-CZ2 3.74Å; F119-W231 HydrophobicContact CD1-CH2 4.09Å; F119-W231 HydrophobicContact CD1-CZ2 4.29Å; F119-W231 HydrophobicContact CD2-CZ2 4.02Å; F119-W231 HydrophobicContact CG-CH2 4.02Å; F119-W231 AromaticContact CG-CZ2 3.77Å; F119-W231 HydrophobicContact CG-CZ2 3.77Å; W120-W231 HydrophobicContact CZ2-CB 4.26Å; W120-W231 AromaticContact CZ2-CD2 3.69Å; W120-W231 HydrophobicContact CZ2-CD2 3.69Å; W120-W231 HydrophobicContact CZ2-CE3 4.09Å; W120-W231 AromaticContact CZ2-CG 3.74Å; W120-W231 HydrophobicContact CZ2-CG 3.74Å; W120-W231 VanDerWaalsContact CZ2-N 3.3Å; W120-W231 AromaticContact NE1-CE2 3.94Å; W120-W231 AromaticContact NE1-NE1 3.65Å; A140-W231 VanDerWaalsContact CA-CZ3 3.49Å; A140-W231 HydrophobicContact CB-CD2 4.32Å; A140-W231 HydrophobicContact CB-CE3 3.85Å; A140-W231 HydrophobicContact CB-CH2 3.47Å; A140-W231 VanDerWaalsContact CB-CH2 3.47Å; A140-W231 HydrophobicContact CB-CZ2 3.93Å; A140-W231 HydrophobicContact CB-CZ3 3.42Å; A140-W231 VanDerWaalsContact CB-CZ3 3.42Å; L143-W231 HydrophobicContact CD2-CH2 4.23Å; L143-W231 HydrophobicContact CD2-CZ3 4.13Å; I144-W231 HydrophobicContact CD1-CE3 3.94Å; I144-W231 HydrophobicContact CD1-CZ3 4.45Å; I144-W231 HydrophobicContact CG1-CE3 3.85Å; I144-W231 HydrophobicContact CG1-CZ3 4.21Å; C211-W231 HydrophobicContact CB-CD2 3.97Å; C211-W231 HydrophobicContact CB-CE3 3.62Å; C211-W231 HydrophobicContact CB-CG 4.45Å; C211-W231 HydrophobicContact CB-CZ3 3.98Å; C211-W231 VanDerWaalsContact O-CG 3.31Å; L212-W231 HydrophobicContact CD2-CB 3.94Å; E214-W231 PolarHBondContact OE2-NE1 3.07Å; N229-W231 PolarHBondContact O-N 3.18Å; N229-W231 WeakPolarHBondContact OD1-CB 3.42Å; N229-W231 PolarHBondContact OD1-N 3.2Å; W231-A234 PolarHBondContact O-N 3.18Å; W231-L235 WeakPolarHBondContact O-CB 3.41Å; W231-L235 PolarHBondContact O-N 3.21Å
232L95.6Very high90.1Very high11 Ų1143.5 Ų43.56%0.05824%0.239CC..Hα-helixtrans-65.5-41.9174.617956.1000111.6L212 N229 A234 L235 S236 A289 D291L212-L232 HydrophobicContact CD2-CB 4.09Å; L212-L232 HydrophobicContact CD2-CD1 4.48Å; N229-L232 HydrophobicContact CB-CB 3.94Å; N229-L232 WeakPolarHBondContact O-CB 3.47Å; N229-L232 PolarHBondContact O-N 3.34Å; N229-L232 PolarHBondContact OD1-N 3.25Å; L232-A234 VanDerWaalsContact C-N 3.34Å; L232-A234 PolarHBondContact O-N 3.4Å; L232-L235 PolarHBondContact O-N 3.25Å; L232-S236 WeakPolarHBondContact O-CB 3.13Å; L232-S236 PolarHBondContact O-N 3.31Å; L232-S236 PolarHBondContact O-OG 3.43Å; L232-A289 HydrophobicContact CD1-CB 4.25Å; L232-D291 WeakPolarHBondContact CD2-O 3.33Å
233L94.4Very high90.7Very high43 Ų4342.6 Ų42.623%0.22523%0.231CC..Hα-helixtrans-57-48.7174.7-63.6177.7000110.9E228 N229 R230 L235 S236 S237 H310E228-L233 HydrophobicContact CG-CD1 3.77Å; E228-L233 HydrophobicContact CG-CD2 4.42Å; E228-L233 HydrophobicContact CG-CG 4.23Å; E228-L233 WeakPolarHBondContact OE1-CD1 3.35Å; E228-L233 WeakPolarHBondContact OE1-CD2 3.47Å; N229-L233 PolarHBondContact O-N 3.01Å; R230-L233 HydrophobicContact CG-CD1 4.5Å; R230-L233 PolarHBondContact O-N 3.37Å; L233-L235 PolarHBondContact O-N 3.41Å; L233-S236 PolarHBondContact O-N 2.75Å; L233-S237 WeakPolarHBondContact O-CB 3.44Å; L233-S237 PolarHBondContact O-N 3.36Å; L233-H310 HydrophobicContact CD2-CB 3.98Å
234A95.2Very high91.4Very high17 Ų1745.7 Ų45.714%0.1425%0.247CC..Hα-helixtrans-61.1-45178.400000112.1W120 R230 W231 L232 S237W120-A234 HydrophobicContact CH2-CB 3.82Å; W120-A234 HydrophobicContact CZ3-CB 4.32Å; R230-A234 PolarHBondContact O-N 2.88Å; W231-A234 PolarHBondContact O-N 3.18Å; L232-A234 VanDerWaalsContact C-N 3.34Å; L232-A234 PolarHBondContact O-N 3.4Å; A234-S237 PolarHBondContact O-OG 3.46Å
235L97.2Very high92.2Very high0 Ų044.4 Ų44.40%024%0.238CC..Hα-helixtrans-64.7-41.5179.7177.960.2000112.9I144 L208 L212 W231 L232 L233 N240 L246 L285 F314I144-L235 HydrophobicContact CG2-CB 4.3Å; I144-L235 HydrophobicContact CG2-CD1 4.28Å; L208-L235 HydrophobicContact CD1-CD1 4.09Å; L208-L235 HydrophobicContact CD1-CD2 4.2Å; L208-L235 HydrophobicContact CD2-CD1 3.9Å; L208-L235 HydrophobicContact CD2-CD2 4.18Å; L208-L235 HydrophobicContact CG-CD1 4.46Å; L208-L235 HydrophobicContact CG-CD2 4.2Å; L212-L235 HydrophobicContact CD1-CD2 3.93Å; L212-L235 HydrophobicContact CD2-CD2 4.09Å; L212-L235 HydrophobicContact CG-CD2 4.38Å; W231-L235 WeakPolarHBondContact O-CB 3.41Å; W231-L235 PolarHBondContact O-N 3.21Å; L232-L235 PolarHBondContact O-N 3.25Å; L233-L235 PolarHBondContact O-N 3.41Å; L235-N240 PolarHBondContact O-ND2 2.76Å; L235-L246 HydrophobicContact CD1-CD2 3.85Å; L235-L285 HydrophobicContact CD2-CD1 4.37Å; L235-F314 HydrophobicContact CG-CE2 4.17Å; L235-F314 HydrophobicContact CG-CZ 4.49Å
236S95.5Very high93.1Very high4 Ų440 Ų403%0.02821%0.211CC..Hα-helixtrans-93.83.3-175660000114.1L232 L233 N312 Y313L232-S236 WeakPolarHBondContact O-CB 3.13Å; L232-S236 PolarHBondContact O-N 3.31Å; L232-S236 PolarHBondContact O-OG 3.43Å; L233-S236 PolarHBondContact O-N 2.75Å; S236-N312 VanDerWaalsContact CB-OD1 3.31Å; S236-N312 WeakPolarHBondContact CB-OD1 3.25Å; S236-Y313 VanDerWaalsContact O-CB 3.28Å; S236-Y313 WeakPolarHBondContact O-CB 3.37Å; S236-Y313 VanDerWaalsContact O-CD2 3.22Å; S236-Y313 WeakPolarHBondContact O-CD2 3.45Å; S236-Y313 PolarHBondContact O-N 2.9Å
237S93.8Very high94Very high25 Ų2534.6 Ų34.618%0.17518%0.177CC..SBendtrans-77.6160.6-179.765.30000113.6L233 A234 D239 N240L233-S237 WeakPolarHBondContact O-CB 3.44Å; L233-S237 PolarHBondContact O-N 3.36Å; A234-S237 PolarHBondContact O-OG 3.46Å; S237-D239 PolarHBondContact O-N 3.01Å; S237-D239 PolarHBondContact OG-N 3.33Å; S237-N240 PolarHBondContact O-N 3.49Å; S237-N240 VanDerWaalsContact O-N 3.17Å
238A91.8Very high94.7Very high60 Ų6034 Ų3450%0.49618%0.176SC..THydrogen-bonded Turntrans-60.9-26.2169.300000113.4N240 Y313A238-N240 PolarHBondContact O-N 3.5Å; A238-Y313 HydrophobicContact CB-CE2 3.73Å; A238-Y313 WeakPolarHBondContact CB-OH 3.2Å
239D90.6Very high95.2Very high115 Ų11528.7 Ų28.762%0.61515%0.152SC*.THydrogen-bonded Turntrans-66.1-23.4177.5-70.1-10.2000112K141 S237 R241K141-D239 IonicContact NZ-OD2 3.56Å; K141-D239 PolarHBondContact NZ-OD2 3.23Å; S237-D239 PolarHBondContact O-N 3.01Å; S237-D239 PolarHBondContact OG-N 3.33Å; D239-R241 PolarHBondContact O-N 3.33Å
240N93.7Very high95.5Very high5 Ų527.7 Ų27.73%0.02715%0.146CC..  trans-82.895.4174.2-177.512.1000110.5L235 S237 A238 H242 V243L235-N240 PolarHBondContact O-ND2 2.76Å; S237-N240 PolarHBondContact O-N 3.49Å; S237-N240 VanDerWaalsContact O-N 3.17Å; A238-N240 PolarHBondContact O-N 3.5Å; N240-H242 PolarHBondContact O-N 2.92Å; N240-H242 PolarHBondContact OD1-N 2.8Å; N240-H242 VanDerWaalsContact OD1-N 3.15Å; N240-V243 HydrophobicContact CB-CB 4.26Å; N240-V243 VanDerWaalsContact O-CB 3.24Å; N240-V243 WeakPolarHBondContact O-CB 3.21Å; N240-V243 WeakPolarHBondContact O-CG1 3.5Å; N240-V243 PolarHBondContact O-N 3.26Å
241R92.1Very high95.7Very high95 Ų9523.1 Ų23.136%0.35813%0.129SC..THydrogen-bonded Turntrans-54-23.5176.970.3-178.9-178.1131.21.8114.9N149 L171 K172 V174 D239N149-R241 PolarHBondContact OD1-NE 3.07Å; N149-R241 PolarHBondContact OD1-NH2 3.02Å; L171-R241 VanDerWaalsContact O-CZ 3.28Å; L171-R241 PolarHBondContact O-NH1 3.06Å; L171-R241 PolarHBondContact O-NH2 3.06Å; K172-R241 VanDerWaalsContact C-NH1 3.26Å; K172-R241 PolarHBondContact O-NH1 3.28Å; V174-R241 PolarHBondContact O-NH1 3.06Å; D239-R241 PolarHBondContact O-N 3.33Å
242H95.2Very high95.7Very high3 Ų323.1 Ų23.11%0.01413%0.129CC..THydrogen-bonded Turntrans-90.80.1-178.7-61.1-60000113.6C148 N149 F152 S176 N240 L244 P245 L246C148-H242 VanDerWaalsContact C-CD2 3.46Å; C148-H242 HydrophobicContact CB-CB 3.91Å; N149-H242 PolarHBondContact OD1-NE2 2.86Å; F152-H242 HydrophobicContact CD2-CB 4.22Å; F152-H242 AromaticContact CD2-ND1 3.8Å; F152-H242 HydrophobicContact CE2-CB 4.19Å; S176-H242 WeakPolarHBondContact CB-ND1 3.44Å; S176-H242 PolarHBondContact OG-CE1 2.97Å; S176-H242 PolarHBondContact OG-ND1 3.02Å; N240-H242 PolarHBondContact O-N 2.92Å; N240-H242 PolarHBondContact OD1-N 2.8Å; N240-H242 VanDerWaalsContact OD1-N 3.15Å; H242-L244 VanDerWaalsContact C-N 3.33Å; H242-L244 PolarHBondContact O-N 3.06Å; H242-P245 WeakPolarHBondContact O-CD 3.39Å; H242-L246 WeakPolarHBondContact O-CB 3.33Å; H242-L246 PolarHBondContact O-N 2.64Å
243V96.5Very high95.8Very high6 Ų622.7 Ų22.74%0.03613%0.127CC..Hα-helixtrans-57.3-43.4-172.467.20000112.8N240 F247 F314 Y317N240-V243 HydrophobicContact CB-CB 4.26Å; N240-V243 VanDerWaalsContact O-CB 3.24Å; N240-V243 WeakPolarHBondContact O-CB 3.21Å; N240-V243 WeakPolarHBondContact O-CG1 3.5Å; N240-V243 PolarHBondContact O-N 3.26Å; V243-F247 VanDerWaalsContact O-CB 3.32Å; V243-F247 WeakPolarHBondContact O-CB 3.48Å; V243-F247 PolarHBondContact O-N 3.27Å; V243-F314 HydrophobicContact CG2-CD2 3.94Å; V243-F314 HydrophobicContact CG2-CE2 3.69Å; V243-Y317 HydrophobicContact CG1-CE2 4.02Å; V243-Y317 HydrophobicContact CG2-CE2 4.2Å
244L96.5Very high96Very high70 Ų7020.7 Ų20.737%0.36612%0.117SC..Hα-helixtrans-72.5-50.5177.8172.965000112.4H242 L246 F247 T248 Y317H242-L244 VanDerWaalsContact C-N 3.33Å; H242-L244 PolarHBondContact O-N 3.06Å; L244-L246 VanDerWaalsContact C-N 3.28Å; L244-L246 PolarHBondContact O-N 3.14Å; L244-F247 PolarHBondContact O-N 3.31Å; L244-T248 WeakPolarHBondContact O-CB 3.15Å; L244-T248 PolarHBondContact O-N 3.22Å; L244-T248 PolarHBondContact O-OG1 2.89Å; L244-Y317 HydrophobicContact CB-CD2 4.46Å; L244-Y317 HydrophobicContact CB-CE1 4.47Å; L244-Y317 HydrophobicContact CB-CE2 3.7Å; L244-Y317 HydrophobicContact CD1-CD1 4.08Å; L244-Y317 HydrophobicContact CD1-CD2 4.02Å; L244-Y317 HydrophobicContact CD1-CE1 4.07Å; L244-Y317 HydrophobicContact CD1-CE2 4.02Å; L244-Y317 HydrophobicContact CD1-CG 4.08Å; L244-Y317 HydrophobicContact CG-CE2 4.48Å
245P96.1Very high96.1Very high3 Ų319.9 Ų19.92%0.01911%0.11CC..Hα-helixtrans-54.5-42.3173.6-30.134.2000113.9F152 I180 H242 S249F152-P245 HydrophobicContact CE1-CB 3.88Å; F152-P245 HydrophobicContact CE2-CB 4.01Å; F152-P245 HydrophobicContact CZ-CB 3.6Å; I180-P245 HydrophobicContact CD1-CB 3.92Å; H242-P245 WeakPolarHBondContact O-CD 3.39Å; P245-S249 VanDerWaalsContact O-CB 3.25Å; P245-S249 WeakPolarHBondContact O-CB 3.44Å; P245-S249 PolarHBondContact O-N 3.42Å; P245-S249 PolarHBondContact O-OG 3Å
246L97.9Very high96Very high0 Ų021.5 Ų21.50%012%0.121CC..Hα-helixtrans-65-50.6177.9-177.156.8000111.3L151 F152 W181 L205 L208 L235 H242 L244 T248 S249 L250 F314L151-L246 HydrophobicContact CD1-CD1 4.02Å; F152-L246 HydrophobicContact CE2-CB 4.19Å; F152-L246 HydrophobicContact CZ-CB 4.39Å; W181-L246 HydrophobicContact CH2-CD1 3.71Å; W181-L246 HydrophobicContact CZ2-CD1 4.32Å; L205-L246 HydrophobicContact CD2-CD1 4.34Å; L208-L246 HydrophobicContact CD2-CD2 4.11Å; L235-L246 HydrophobicContact CD1-CD2 3.85Å; H242-L246 WeakPolarHBondContact O-CB 3.33Å; H242-L246 PolarHBondContact O-N 2.64Å; L244-L246 VanDerWaalsContact C-N 3.28Å; L244-L246 PolarHBondContact O-N 3.14Å; L246-T248 VanDerWaalsContact C-N 3.33Å; L246-T248 PolarHBondContact O-N 2.85Å; L246-S249 PolarHBondContact O-N 3.43Å; L246-L250 HydrophobicContact CD1-CD1 4.07Å; L246-L250 HydrophobicContact CD1-CD2 4.38Å; L246-L250 HydrophobicContact CD1-CG 4.04Å; L246-L250 HydrophobicContact CG-CD1 4.03Å; L246-L250 HydrophobicContact CG-CG 4.43Å; L246-L250 WeakPolarHBondContact O-CG 3.45Å; L246-L250 PolarHBondContact O-N 3.27Å; L246-F314 HydrophobicContact CD2-CZ 4.08Å; L246-F314 HydrophobicContact CG-CZ 4.17Å
247F98.1Very high96Very high8 Ų821.4 Ų21.44%0.03512%0.12CC..Hα-helixtrans-53.1-50.6175.3170.6-97.9000112V243 L244 S249 L250 I251 L286 F314 Y317 L318 I321V243-F247 VanDerWaalsContact O-CB 3.32Å; V243-F247 WeakPolarHBondContact O-CB 3.48Å; V243-F247 PolarHBondContact O-N 3.27Å; L244-F247 PolarHBondContact O-N 3.31Å; F247-S249 PolarHBondContact O-N 2.96Å; F247-L250 PolarHBondContact O-N 3.47Å; F247-I251 HydrophobicContact CD1-CD1 4.45Å; F247-I251 HydrophobicContact CD2-CD1 4.28Å; F247-I251 HydrophobicContact CE1-CD1 3.7Å; F247-I251 HydrophobicContact CE2-CD1 3.51Å; F247-I251 HydrophobicContact CE2-CG1 4.32Å; F247-I251 HydrophobicContact CZ-CD1 3.17Å; F247-I251 HydrophobicContact CZ-CG1 4.32Å; F247-I251 PolarHBondContact O-N 3.43Å; F247-I251 VanDerWaalsContact O-N 3.09Å; F247-L286 HydrophobicContact CD2-CD1 4.22Å; F247-L286 HydrophobicContact CE2-CD1 4.42Å; F247-F314 HydrophobicContact CB-CD1 4.06Å; F247-F314 HydrophobicContact CB-CE1 4.01Å; F247-F314 HydrophobicContact CD2-CB 4.29Å; F247-F314 AromaticContact CD2-CD1 3.7Å; F247-F314 HydrophobicContact CD2-CD1 3.7Å; F247-F314 HydrophobicContact CD2-CE1 4.39Å; F247-F314 HydrophobicContact CD2-CG 4.27Å; F247-F314 WeakPolarHBondContact CE2-O 3.42Å; F247-F314 HydrophobicContact CG-CD1 4.38Å; F247-Y317 HydrophobicContact CB-CD2 4.1Å; F247-Y317 HydrophobicContact CD1-CD2 4.12Å; F247-Y317 HydrophobicContact CD1-CG 4.23Å; F247-Y317 VanDerWaalsContact CE1-CB 3.47Å; F247-Y317 HydrophobicContact CG-CD2 4.06Å; F247-L318 HydrophobicContact CE2-CB 4Å; F247-L318 HydrophobicContact CZ-CB 3.94Å; F247-I321 HydrophobicContact CE1-CD1 4.46Å; F247-I321 HydrophobicContact CZ-CD1 4.24Å
248T97.7Very high96Very high18 Ų1823.4 Ų23.411%0.1113%0.129CC..Hα-helixtrans-62.7-42.8-178.3-520000111.1I180 I185 L244 L246 N252I180-T248 HydrophobicContact CD1-CG2 4.18Å; I180-T248 HydrophobicContact CG1-CG2 4.32Å; I180-T248 HydrophobicContact CG2-CG2 4.02Å; I185-T248 WeakPolarHBondContact O-CG2 3.35Å; L244-T248 WeakPolarHBondContact O-CB 3.15Å; L244-T248 PolarHBondContact O-N 3.22Å; L244-T248 PolarHBondContact O-OG1 2.89Å; L246-T248 VanDerWaalsContact C-N 3.33Å; L246-T248 PolarHBondContact O-N 2.85Å; T248-N252 WeakPolarHBondContact O-CB 3.4Å; T248-N252 VanDerWaalsContact O-CG 3.23Å; T248-N252 PolarHBondContact O-N 3.22Å
249S97.8Very high95.9Very high0 Ų020.9 Ų20.90%011%0.108CC..Hα-helixtrans-70-38-178.8-55.80000112.6W181 P245 L246 F247 V253W181-S249 PolarHBondContact N-OG 3.33Å; P245-S249 VanDerWaalsContact O-CB 3.25Å; P245-S249 WeakPolarHBondContact O-CB 3.44Å; P245-S249 PolarHBondContact O-N 3.42Å; P245-S249 PolarHBondContact O-OG 3Å; L246-S249 PolarHBondContact O-N 3.43Å; F247-S249 PolarHBondContact O-N 2.96Å; S249-V253 VanDerWaalsContact O-CB 3.32Å; S249-V253 WeakPolarHBondContact O-CB 3.35Å; S249-V253 VanDerWaalsContact O-CG2 3.27Å; S249-V253 WeakPolarHBondContact O-CG2 3.38Å; S249-V253 PolarHBondContact O-N 3.32Å
250L98.5Very high95.7Very high0 Ų017.5 Ų17.50%09%0.089CC..Hα-helixtrans-63.1-50.2175.1-67.1171.2000110.8W181 L205 L246 F247 N252 I254 A282 L285 L286 F314W181-L250 HydrophobicContact CZ3-CD2 4.04Å; L205-L250 HydrophobicContact CD1-CD2 4.42Å; L205-L250 HydrophobicContact CD2-CD2 4.1Å; L246-L250 HydrophobicContact CD1-CD1 4.07Å; L246-L250 HydrophobicContact CD1-CD2 4.38Å; L246-L250 HydrophobicContact CD1-CG 4.04Å; L246-L250 HydrophobicContact CG-CD1 4.03Å; L246-L250 HydrophobicContact CG-CG 4.43Å; L246-L250 WeakPolarHBondContact O-CG 3.45Å; L246-L250 PolarHBondContact O-N 3.27Å; F247-L250 PolarHBondContact O-N 3.47Å; L250-N252 PolarHBondContact O-N 3.32Å; L250-I254 WeakPolarHBondContact O-CB 3.43Å; L250-I254 WeakPolarHBondContact O-CD1 3.48Å; L250-I254 WeakPolarHBondContact O-CG1 3.46Å; L250-I254 PolarHBondContact O-N 3.41Å; L250-A282 HydrophobicContact CD2-CB 3.51Å; L250-L285 HydrophobicContact CD1-CD2 4.02Å; L250-L285 HydrophobicContact CD1-CG 4.38Å; L250-L285 HydrophobicContact CD2-CD2 4.22Å; L250-L286 HydrophobicContact CB-CB 4.42Å; L250-L286 HydrophobicContact CD1-CB 4.36Å; L250-F314 HydrophobicContact CD1-CE1 4Å
251I98.1Very high95.2Very high3 Ų319 Ų192%0.01511%0.106CC..Hα-helixtrans-59.2-48.3178.4-81.7-170.8000111.5I185 F247 I254 F255 L286 I321I185-I251 HydrophobicContact CB-CG2 4.47Å; I185-I251 HydrophobicContact CD1-CG2 3.58Å; I185-I251 HydrophobicContact CG1-CG2 4.12Å; F247-I251 HydrophobicContact CD1-CD1 4.45Å; F247-I251 HydrophobicContact CD2-CD1 4.28Å; F247-I251 HydrophobicContact CE1-CD1 3.7Å; F247-I251 HydrophobicContact CE2-CD1 3.51Å; F247-I251 HydrophobicContact CE2-CG1 4.32Å; F247-I251 HydrophobicContact CZ-CD1 3.17Å; F247-I251 HydrophobicContact CZ-CG1 4.32Å; F247-I251 PolarHBondContact O-N 3.43Å; F247-I251 VanDerWaalsContact O-N 3.09Å; I251-I254 PolarHBondContact O-N 3.04Å; I251-F255 HydrophobicContact CG1-CE2 4.49Å; I251-F255 HydrophobicContact CG2-CD2 3.74Å; I251-F255 HydrophobicContact CG2-CE2 3.95Å; I251-F255 VanDerWaalsContact O-CD2 3.26Å; I251-F255 WeakPolarHBondContact O-CD2 3.37Å; I251-F255 PolarHBondContact O-N 2.85Å; I251-L286 HydrophobicContact CG1-CD2 3.7Å; I251-I321 HydrophobicContact CD1-CD1 4.24Å
252N97.9Very high94.4Very high0 Ų023.7 Ų23.70%013%0.125CC..Hα-helixtrans-67-43.3-176.1-69.5-6.1000111.4E182 I185 T248 L250 I254 F255 S256E182-N252 HydrophobicContact CB-CB 4.04Å; E182-N252 WeakPolarHBondContact O-CB 3.34Å; E182-N252 PolarHBondContact O-ND2 2.74Å; E182-N252 VanDerWaalsContact O-ND2 3.08Å; I185-N252 PolarHBondContact N-OD1 3.01Å; I185-N252 PolarHBondContact O-ND2 2.97Å; T248-N252 WeakPolarHBondContact O-CB 3.4Å; T248-N252 VanDerWaalsContact O-CG 3.23Å; T248-N252 PolarHBondContact O-N 3.22Å; L250-N252 PolarHBondContact O-N 3.32Å; N252-I254 VanDerWaalsContact C-N 3.32Å; N252-I254 PolarHBondContact O-N 3.39Å; N252-F255 PolarHBondContact O-N 3.42Å; N252-S256 WeakPolarHBondContact O-CB 3.33Å; N252-S256 PolarHBondContact O-N 2.75Å; N252-S256 PolarHBondContact O-OG 3.38Å
253V97.1Very high93.6Very high2 Ų226 Ų261%0.01215%0.149CC..Hα-helixtrans-60.8-40.8175.9165.60000111.9W181 E182 S249 Y257 M278 V279W181-V253 HydrophobicContact CB-CG2 3.89Å; W181-V253 HydrophobicContact CE3-CG2 4.04Å; E182-V253 HydrophobicContact CB-CG2 4.06Å; E182-V253 HydrophobicContact CG-CB 4.41Å; E182-V253 HydrophobicContact CG-CG2 3.51Å; S249-V253 VanDerWaalsContact O-CB 3.32Å; S249-V253 WeakPolarHBondContact O-CB 3.35Å; S249-V253 VanDerWaalsContact O-CG2 3.27Å; S249-V253 WeakPolarHBondContact O-CG2 3.38Å; S249-V253 PolarHBondContact O-N 3.32Å; V253-Y257 WeakPolarHBondContact O-CB 3.45Å; V253-Y257 PolarHBondContact O-N 3.09Å; V253-M278 HydrophobicContact CG1-CE 4.35Å; V253-M278 HydrophobicContact CG2-CE 4.02Å; V253-V279 HydrophobicContact CG1-CB 4.48Å; V253-V279 HydrophobicContact CG1-CG2 3.55Å
254I98.1Very high92.9Very high0 Ų029.7 Ų29.70%017%0.172CC..Hα-helixtrans-65.3-52178.7-65.9159.5000110.4L250 I251 N252 A282 L283 L286 L337 L360 L363L250-I254 WeakPolarHBondContact O-CB 3.43Å; L250-I254 WeakPolarHBondContact O-CD1 3.48Å; L250-I254 WeakPolarHBondContact O-CG1 3.46Å; L250-I254 PolarHBondContact O-N 3.41Å; I251-I254 PolarHBondContact O-N 3.04Å; N252-I254 VanDerWaalsContact C-N 3.32Å; N252-I254 PolarHBondContact O-N 3.39Å; I254-A282 HydrophobicContact CG1-CB 4.34Å; I254-L283 HydrophobicContact CD1-CB 4.04Å; I254-L283 HydrophobicContact CD1-CD1 4.2Å; I254-L283 HydrophobicContact CG1-CB 4.15Å; I254-L283 HydrophobicContact CG2-CD1 4.43Å; I254-L286 HydrophobicContact CD1-CB 4.2Å; I254-L286 HydrophobicContact CD1-CD2 3.61Å; I254-L337 HydrophobicContact CG2-CD1 4.41Å; I254-L337 WeakPolarHBondContact O-CD1 3.35Å; I254-L360 HydrophobicContact CG2-CD2 4.42Å; I254-L363 HydrophobicContact CD1-CD2 4.48Å; I254-L363 HydrophobicContact CG2-CD2 4.43Å
255F97.8Very high92.2Very high1 Ų129 Ų290%0.00417%0.172CC..Hα-helixtrans-85.5-11.6-172.5-61.1-52000114.6I251 N252 F329 M330 F334 R336 L363I251-F255 HydrophobicContact CG1-CE2 4.49Å; I251-F255 HydrophobicContact CG2-CD2 3.74Å; I251-F255 HydrophobicContact CG2-CE2 3.95Å; I251-F255 VanDerWaalsContact O-CD2 3.26Å; I251-F255 WeakPolarHBondContact O-CD2 3.37Å; I251-F255 PolarHBondContact O-N 2.85Å; N252-F255 PolarHBondContact O-N 3.42Å; F255-F329 HydrophobicContact CB-CD1 4.11Å; F255-F329 HydrophobicContact CB-CE1 3.56Å; F255-F329 HydrophobicContact CB-CE2 4.34Å; F255-F329 HydrophobicContact CB-CZ 3.7Å; F255-F329 HydrophobicContact CD2-CE1 4.4Å; F255-F329 HydrophobicContact CG-CE1 4.48Å; F255-M330 HydrophobicContact CD2-CB 4.28Å; F255-M330 HydrophobicContact CD2-CG 3.87Å; F255-M330 HydrophobicContact CE2-CB 4.12Å; F255-M330 HydrophobicContact CE2-CE 4.08Å; F255-M330 HydrophobicContact CE2-CG 3.73Å; F255-M330 HydrophobicContact CZ-CB 4.34Å; F255-M330 HydrophobicContact CZ-CE 4.34Å; F255-M330 HydrophobicContact CZ-CG 4.4Å; F255-F334 HydrophobicContact CE1-CD1 4.01Å; F255-F334 AromaticContact CE1-CD2 3.67Å; F255-F334 HydrophobicContact CE1-CD2 3.67Å; F255-F334 AromaticContact CE1-CE1 3.85Å; F255-F334 HydrophobicContact CE1-CE1 3.85Å; F255-F334 AromaticContact CE1-CE2 3.5Å; F255-F334 HydrophobicContact CE1-CE2 3.5Å; F255-F334 VanDerWaalsContact CE1-CE2 3.5Å; F255-F334 AromaticContact CE1-CG 3.92Å; F255-F334 HydrophobicContact CE1-CG 3.92Å; F255-F334 AromaticContact CE1-CZ 3.59Å; F255-F334 HydrophobicContact CE1-CZ 3.59Å; F255-F334 HydrophobicContact CZ-CD2 4.09Å; F255-F334 HydrophobicContact CZ-CE1 4.2Å; F255-F334 AromaticContact CZ-CE2 3.47Å; F255-F334 HydrophobicContact CZ-CE2 3.47Å; F255-F334 VanDerWaalsContact CZ-CE2 3.47Å; F255-F334 AromaticContact CZ-CZ 3.54Å; F255-F334 HydrophobicContact CZ-CZ 3.54Å; F255-R336 PolarHBondContact O-NH2 3.01Å; F255-L363 HydrophobicContact CE1-CD2 4.39Å; F255-L363 HydrophobicContact CZ-CD2 3.92Å
256S95.7Very high91.6Very high34 Ų3433.1 Ų33.124%0.23819%0.188CC..Hα-helixtrans-85.9-21.7169.775.90000112.6N252 D258 R336N252-S256 WeakPolarHBondContact O-CB 3.33Å; N252-S256 PolarHBondContact O-N 2.75Å; N252-S256 PolarHBondContact O-OG 3.38Å; S256-D258 PolarHBondContact O-N 3.37Å; S256-R336 VanDerWaalsContact C-NH2 3.34Å; S256-R336 PolarHBondContact O-NH2 3.24Å
257Y95.5Very high90.9Very high2 Ų234.3 Ų34.31%0.00819%0.194CC..  trans-60.5125.2-174.4-179.4-122.9000113V253 P259 D273 Q275 V279 R336 L337 K352 V354 F356V253-Y257 WeakPolarHBondContact O-CB 3.45Å; V253-Y257 PolarHBondContact O-N 3.09Å; Y257-P259 HydrophobicContact CE1-CB 3.94Å; Y257-P259 HydrophobicContact CE1-CG 4.48Å; Y257-D273 PolarHBondContact OH-OD2 3Å; Y257-Q275 HydrophobicContact CD2-CB 4.36Å; Y257-Q275 HydrophobicContact CD2-CG 3.9Å; Y257-Q275 HydrophobicContact CE2-CB 4.25Å; Y257-Q275 HydrophobicContact CE2-CG 4.29Å; Y257-V279 HydrophobicContact CD1-CB 4.33Å; Y257-V279 HydrophobicContact CD1-CG1 3.93Å; Y257-V279 HydrophobicContact CD1-CG2 4.16Å; Y257-V279 HydrophobicContact CD2-CG2 3.87Å; Y257-V279 HydrophobicContact CG-CB 4.32Å; Y257-V279 HydrophobicContact CG-CG1 4.18Å; Y257-V279 HydrophobicContact CG-CG2 3.66Å; Y257-R336 VanDerWaalsContact O-CZ 3.28Å; Y257-R336 PolarHBondContact O-NE 2.89Å; Y257-R336 PolarHBondContact O-NH2 3.22Å; Y257-L337 HydrophobicContact CD1-CD2 3.74Å; Y257-L337 HydrophobicContact CE1-CD2 4.44Å; Y257-K352 PolarHBondContact OH-NZ 3.27Å; Y257-K352 VanDerWaalsContact OH-NZ 3.17Å; Y257-V354 HydrophobicContact CE1-CG1 4.07Å; Y257-F356 HydrophobicContact CD1-CZ 4.15Å; Y257-F356 HydrophobicContact CE1-CE1 4.44Å; Y257-F356 HydrophobicContact CE1-CZ 4.06Å
258D92.9Very high90Very high66 Ų6637 Ų3735%0.35321%0.207SC..  trans-115.1105.3172.7-179.812000110.5S256 I260 G261S256-D258 PolarHBondContact O-N 3.37Å; D258-I260 PolarHBondContact O-N 2.97Å; D258-I260 PolarHBondContact OD1-N 3.47Å; D258-G261 PolarHBondContact O-N 2.73Å; D258-G261 PolarHBondContact OD2-N 3.03Å
259P89.7Confident89.3Confident8 Ų841.7 Ų41.75%0.05223%0.23CC..SBendtrans-67.7-17.8179.427.2-35.1000113.8Y257 L337 N340 K352 V354Y257-P259 HydrophobicContact CE1-CB 3.94Å; Y257-P259 HydrophobicContact CE1-CG 4.48Å; P259-L337 HydrophobicContact CG-CD2 4.34Å; P259-N340 HydrophobicContact CG-CB 4.05Å; P259-N340 WeakPolarHBondContact CG-ND2 3.39Å; P259-K352 WeakPolarHBondContact O-CB 3.42Å; P259-V354 HydrophobicContact CB-CG1 3.71Å; P259-V354 HydrophobicContact CG-CG1 3.88Å
260I86.5Confident88.6Confident44 Ų4447.9 Ų47.923%0.22626%0.262CS..SBendtrans-85.6-39.6-179.9-58.2174.5000110.1D258 Y262 N267 L343D258-I260 PolarHBondContact O-N 2.97Å; D258-I260 PolarHBondContact OD1-N 3.47Å; I260-Y262 PolarHBondContact O-N 3.45Å; I260-N267 PolarHBondContact O-ND2 2.95Å; I260-L343 HydrophobicContact CD1-CD1 3.54Å
261G82.5Confident87.8Confident37 Ų3753.9 Ų53.938%0.38129%0.289SS..THydrogen-bonded Turntrans67.6-122.9-179.100000111.3D258 G263D258-G261 PolarHBondContact O-N 2.73Å; D258-G261 PolarHBondContact OD2-N 3.03Å; G261-G263 PolarHBondContact O-N 3.27Å
262Y76.9Confident87Confident192 Ų19259 Ų5975%0.75333%0.325SS*.THydrogen-bonded Turntrans-64.3-2.8-176.3-64.7-67.3000115.7I260 V264I260-Y262 PolarHBondContact O-N 3.45Å; Y262-V264 PolarHBondContact O-N 2.84Å
263G77.9Confident86.4Confident51 Ų5161.5 Ų61.553%0.52634%0.338SS..SBendtrans74.54.8-177.700000114.6G261G261-G263 PolarHBondContact O-N 3.27Å
264V81.8Confident85.9Confident85 Ų8562 Ų6252%0.51534%0.342SS..  trans-86.9135.7179.9-174.60000110.4Y262 Y266 N267Y262-V264 PolarHBondContact O-N 2.84Å; V264-Y266 PolarHBondContact O-N 3.36Å; V264-N267 VanDerWaalsContact O-CB 3.31Å; V264-N267 WeakPolarHBondContact O-CB 3.43Å; V264-N267 PolarHBondContact O-N 2.98Å
265P81.9Confident85.5Confident56 Ų5663.7 Ų63.736%0.36435%0.35SS..THydrogen-bonded Turntrans-53.2139.2173.9-27.635.8000112.7N267 L347P265-N267 PolarHBondContact O-N 3.43Å; P265-L347 HydrophobicContact CB-CD1 4.03Å; P265-L347 HydrophobicContact CG-CD1 4.03Å
266Y83.4Confident85.3Confident88 Ų8863.7 Ų63.735%0.34535%0.349SS..THydrogen-bonded Turntrans62.115178-46.2-71.3000115.4V264 H268 I269 L270 L347 S350V264-Y266 PolarHBondContact O-N 3.36Å; Y266-H268 PolarHBondContact O-N 3.5Å; Y266-H268 VanDerWaalsContact O-N 3.16Å; Y266-I269 HydrophobicContact CD1-CD1 3.77Å; Y266-I269 HydrophobicContact CG-CD1 4.42Å; Y266-I269 WeakPolarHBondContact O-CB 3.43Å; Y266-I269 PolarHBondContact O-N 2.89Å; Y266-L270 PolarHBondContact O-N 3.41Å; Y266-L347 HydrophobicContact CE2-CD1 4.4Å; Y266-S350 VanDerWaalsContact CZ-OG 3.27Å; Y266-S350 PolarHBondContact N-O 2.94Å; Y266-S350 PolarHBondContact OH-OG 3.15Å
267N82.5Confident85.2Confident26 Ų2664.6 Ų64.614%0.13936%0.355CS..Hα-helixtrans-48-44.7175.5-178.750.4000112.3I260 V264 P265 I269 L270 F271I260-N267 PolarHBondContact O-ND2 2.95Å; V264-N267 VanDerWaalsContact O-CB 3.31Å; V264-N267 WeakPolarHBondContact O-CB 3.43Å; V264-N267 PolarHBondContact O-N 2.98Å; P265-N267 PolarHBondContact O-N 3.43Å; N267-I269 PolarHBondContact O-N 3.36Å; N267-L270 PolarHBondContact O-N 2.95Å; N267-F271 WeakPolarHBondContact O-CD2 3.4Å; N267-F271 PolarHBondContact O-N 3.06Å; N267-F271 WeakPolarHBondContact OD1-CD2 3.3Å
268H80.7Confident85.2Confident65 Ų6564.7 Ų64.730%0.30136%0.355SS..Hα-helixtrans-69.4-12.1179.771.9-77.4000115.7Y266 R349 K352Y266-H268 PolarHBondContact O-N 3.5Å; Y266-H268 VanDerWaalsContact O-N 3.16Å; H268-R349 PolarHBondContact CE1-O 3.29Å; H268-K352 HydrophobicContact CB-CB 3.76Å; H268-K352 HydrophobicContact CB-CD 4.24Å; H268-K352 HydrophobicContact CB-CG 4.3Å; H268-K352 PolarHBondContact ND1-N 3.2Å
269I82.7Confident85.4Confident116 Ų11661.6 Ų61.660%0.59534%0.338SS*.Hα-helixtrans-91.4-37.4173.1-57-178.4000109.7Y266 N267Y266-I269 HydrophobicContact CD1-CD1 3.77Å; Y266-I269 HydrophobicContact CG-CD1 4.42Å; Y266-I269 WeakPolarHBondContact O-CB 3.43Å; Y266-I269 PolarHBondContact O-N 2.89Å; N267-I269 PolarHBondContact O-N 3.36Å
270L82.2Confident85.7Confident129 Ų12963.5 Ų63.568%0.67535%0.347SS*.Hα-helixtrans-78.9-29.8-177.2-64.3176.5000112.8Y266 N267Y266-L270 PolarHBondContact O-N 3.41Å; N267-L270 PolarHBondContact O-N 2.95Å
271F82.1Confident86.2Confident127 Ų12761.6 Ų61.656%0.55734%0.337SS*.SBendtrans-123.3135.9-177.1-59-80.7000111.2N267 D273N267-F271 WeakPolarHBondContact O-CD2 3.4Å; N267-F271 PolarHBondContact O-N 3.06Å; N267-F271 WeakPolarHBondContact OD1-CD2 3.3Å; F271-D273 PolarHBondContact O-N 2.81Å
272S81.6Confident87Confident111 Ų11159.9 Ų59.978%0.77632%0.319SS*.  trans-72.9119.6177.955.60000110.9S274S272-S274 PolarHBondContact O-N 3.15Å
273D85.6Confident88Confident51 Ų5150.7 Ų50.727%0.27328%0.283SS..  trans-91.491.3174.8-178.48.3000111.2Y257 F271 Q275 G276 P277 K352Y257-D273 PolarHBondContact OH-OD2 3Å; F271-D273 PolarHBondContact O-N 2.81Å; D273-Q275 VanDerWaalsContact C-N 3.31Å; D273-Q275 WeakPolarHBondContact OD1-CB 3.38Å; D273-Q275 PolarHBondContact OD1-N 3.28Å; D273-G276 PolarHBondContact OD1-N 3.25Å; D273-P277 VanDerWaalsContact O-CD 3.26Å; D273-P277 WeakPolarHBondContact O-CD 3.2Å; D273-K352 IonicContact OD2-NZ 2.8Å; D273-K352 PolarHBondContact OD2-NZ 3.48Å
274S86.3Confident89Confident13 Ų1348.4 Ų48.49%0.09126%0.259CS..SBendtrans-76.7-16.4172.634.20000113.3Y193 P195 S272Y193-S274 WeakPolarHBondContact OH-CB 3.48Å; Y193-S274 PolarHBondContact OH-OG 2.76Å; P195-S274 WeakPolarHBondContact CB-OG 3.27Å; S272-S274 PolarHBondContact O-N 3.15Å
275Q89.8Confident89.7Confident36 Ų3644.4 Ų44.417%0.16823%0.234CC..Hα-helixtrans-79.3-37.1-179.5-168.717812.800111.1Y193 Y257 D273 M278 V279Y193-Q275 HydrophobicContact CE2-CB 4.26Å; Y193-Q275 PolarHBondContact OH-N 3.38Å; Y193-Q275 VanDerWaalsContact OH-N 3.16Å; Y257-Q275 HydrophobicContact CD2-CB 4.36Å; Y257-Q275 HydrophobicContact CD2-CG 3.9Å; Y257-Q275 HydrophobicContact CE2-CB 4.25Å; Y257-Q275 HydrophobicContact CE2-CG 4.29Å; D273-Q275 VanDerWaalsContact C-N 3.31Å; D273-Q275 WeakPolarHBondContact OD1-CB 3.38Å; D273-Q275 PolarHBondContact OD1-N 3.28Å; Q275-M278 WeakPolarHBondContact O-CA 3.4Å; Q275-M278 WeakPolarHBondContact O-CB 3.44Å; Q275-M278 PolarHBondContact O-N 3.49Å; Q275-M278 VanDerWaalsContact O-N 3.08Å; Q275-V279 HydrophobicContact CG-CG2 3.95Å; Q275-V279 VanDerWaalsContact O-CG2 3.27Å; Q275-V279 WeakPolarHBondContact O-CG2 3.41Å; Q275-V279 PolarHBondContact O-N 2.7Å
276G92.6Very high90.5Very high0 Ų041.8 Ų41.80%022%0.217CC..Hα-helixtrans-51.3-55.5179.500000114.2D273 M278 V279 E280D273-G276 PolarHBondContact OD1-N 3.25Å; G276-M278 VanDerWaalsContact C-N 3.28Å; G276-M278 PolarHBondContact O-N 3.33Å; G276-V279 PolarHBondContact O-N 3.36Å; G276-E280 PolarHBondContact O-N 3.47Å
277P93.4Very high91.2Very high54 Ų5437.6 Ų37.635%0.35120%0.201SC..Hα-helixtrans-60-36176-25.235.2000113.6T202 D273 E280 V281T202-P277 HydrophobicContact CG2-CB 4.35Å; D273-P277 VanDerWaalsContact O-CD 3.26Å; D273-P277 WeakPolarHBondContact O-CD 3.2Å; P277-E280 PolarHBondContact O-N 3.32Å; P277-V281 WeakPolarHBondContact O-CG2 3.47Å; P277-V281 PolarHBondContact O-N 2.98Å
278M95.4Very high91.9Very high4 Ų436.5 Ų36.52%0.0220%0.195CC..Hα-helixtrans-64.9-44176.1-174.2-176.7163.200111.2W181 A198 R201 T202 L205 V253 Q275 G276 E280 V281 A282W181-M278 HydrophobicContact CD2-CE 3.78Å; W181-M278 HydrophobicContact CE3-CE 3.21Å; W181-M278 HydrophobicContact CG-CE 4.39Å; W181-M278 HydrophobicContact CZ3-CE 3.69Å; A198-M278 HydrophobicContact CB-SD 3.9Å; R201-M278 HydrophobicContact CB-CE 4.01Å; R201-M278 HydrophobicContact CB-SD 4.16Å; R201-M278 VanDerWaalsContact CD-CE 3.41Å; R201-M278 HydrophobicContact CG-CE 4.35Å; T202-M278 WeakPolarHBondContact OG1-CA 3.23Å; T202-M278 WeakPolarHBondContact OG1-CB 3.33Å; L205-M278 HydrophobicContact CD1-CG 4.45Å; V253-M278 HydrophobicContact CG1-CE 4.35Å; V253-M278 HydrophobicContact CG2-CE 4.02Å; Q275-M278 WeakPolarHBondContact O-CA 3.4Å; Q275-M278 WeakPolarHBondContact O-CB 3.44Å; Q275-M278 PolarHBondContact O-N 3.49Å; Q275-M278 VanDerWaalsContact O-N 3.08Å; G276-M278 VanDerWaalsContact C-N 3.28Å; G276-M278 PolarHBondContact O-N 3.33Å; M278-E280 VanDerWaalsContact C-N 3.35Å; M278-V281 PolarHBondContact O-N 2.85Å; M278-A282 WeakPolarHBondContact O-CB 3.44Å; M278-A282 PolarHBondContact O-N 3.11Å
279V97Very high92.7Very high0 Ų033.4 Ų33.40%018%0.181CC..Hα-helixtrans-62.6-41.9177.51710000111V253 Y257 Q275 G276 A282 L283 F356V253-V279 HydrophobicContact CG1-CB 4.48Å; V253-V279 HydrophobicContact CG1-CG2 3.55Å; Y257-V279 HydrophobicContact CD1-CB 4.33Å; Y257-V279 HydrophobicContact CD1-CG1 3.93Å; Y257-V279 HydrophobicContact CD1-CG2 4.16Å; Y257-V279 HydrophobicContact CD2-CG2 3.87Å; Y257-V279 HydrophobicContact CG-CB 4.32Å; Y257-V279 HydrophobicContact CG-CG1 4.18Å; Y257-V279 HydrophobicContact CG-CG2 3.66Å; Q275-V279 HydrophobicContact CG-CG2 3.95Å; Q275-V279 VanDerWaalsContact O-CG2 3.27Å; Q275-V279 WeakPolarHBondContact O-CG2 3.41Å; Q275-V279 PolarHBondContact O-N 2.7Å; G276-V279 PolarHBondContact O-N 3.36Å; V279-A282 PolarHBondContact O-N 3.46Å; V279-L283 VanDerWaalsContact O-CB 3.28Å; V279-L283 WeakPolarHBondContact O-CB 3.3Å; V279-L283 PolarHBondContact O-N 2.66Å; V279-F356 HydrophobicContact CG1-CE2 4.37Å; V279-F356 HydrophobicContact CG1-CZ 4.02Å
280E96.6Very high93.3Very high49 Ų4927.9 Ų27.923%0.22915%0.153CC..Hα-helixtrans-58.5-54.1176.5-75.2-168.4-158.900111.3G276 P277 M278 A282 L283 Q284 F356 R745G276-E280 PolarHBondContact O-N 3.47Å; P277-E280 PolarHBondContact O-N 3.32Å; M278-E280 VanDerWaalsContact C-N 3.35Å; E280-A282 VanDerWaalsContact C-N 3.33Å; E280-A282 PolarHBondContact O-N 3.09Å; E280-L283 PolarHBondContact O-N 2.89Å; E280-Q284 WeakPolarHBondContact O-CG 3.06Å; E280-Q284 PolarHBondContact O-N 3.08Å; E280-F356 HydrophobicContact CG-CB 4.35Å; E280-F356 HydrophobicContact CG-CD1 3.32Å; E280-F356 HydrophobicContact CG-CE1 3.77Å; E280-F356 HydrophobicContact CG-CG 4.06Å; E280-R745 IonicContact OE1-NH2 3.57Å; E280-R745 IonicContact OE2-NH2 3.72Å; E280-R745 PolarHBondContact OE2-NH2 3.2Å
281V97.4Very high93.7Very high4 Ų422.4 Ų22.42%0.02412%0.124CC..Hα-helixtrans-67.3-35.8-179.5-1770000111.3T202 L205 R206 P277 M278 Q284 L285T202-V281 HydrophobicContact CG2-CG2 4.07Å; L205-V281 HydrophobicContact CB-CB 4.44Å; L205-V281 HydrophobicContact CB-CG1 3.56Å; R206-V281 HydrophobicContact CG-CB 4.49Å; R206-V281 HydrophobicContact CG-CG1 3.86Å; R206-V281 HydrophobicContact CG-CG2 3.77Å; P277-V281 WeakPolarHBondContact O-CG2 3.47Å; P277-V281 PolarHBondContact O-N 2.98Å; M278-V281 PolarHBondContact O-N 2.85Å; V281-Q284 PolarHBondContact O-N 3.32Å; V281-L285 VanDerWaalsContact O-CB 3.31Å; V281-L285 WeakPolarHBondContact O-CB 3.43Å; V281-L285 PolarHBondContact O-N 3.34Å
282A98.4Very high93.6Very high0 Ų019.3 Ų19.30%011%0.112CC..Hα-helixtrans-62-43.7175.800000112.1L205 L250 I254 M278 V279 E280 L285 L286L205-A282 HydrophobicContact CD1-CB 4.39Å; L250-A282 HydrophobicContact CD2-CB 3.51Å; I254-A282 HydrophobicContact CG1-CB 4.34Å; M278-A282 WeakPolarHBondContact O-CB 3.44Å; M278-A282 PolarHBondContact O-N 3.11Å; V279-A282 PolarHBondContact O-N 3.46Å; E280-A282 VanDerWaalsContact C-N 3.33Å; E280-A282 PolarHBondContact O-N 3.09Å; A282-L285 PolarHBondContact O-N 2.77Å; A282-L286 VanDerWaalsContact O-CB 3.31Å; A282-L286 WeakPolarHBondContact O-CB 3.2Å; A282-L286 PolarHBondContact O-N 2.74Å
283L98.6Very high93Very high0 Ų016.7 Ų16.70%010%0.096CC..Hα-helixtrans-62.7-47.7175174.660.3000111.2I254 V279 E280 L285 L286 V287 F356 E359 L360 L363I254-L283 HydrophobicContact CD1-CB 4.04Å; I254-L283 HydrophobicContact CD1-CD1 4.2Å; I254-L283 HydrophobicContact CG1-CB 4.15Å; I254-L283 HydrophobicContact CG2-CD1 4.43Å; V279-L283 VanDerWaalsContact O-CB 3.28Å; V279-L283 WeakPolarHBondContact O-CB 3.3Å; V279-L283 PolarHBondContact O-N 2.66Å; E280-L283 PolarHBondContact O-N 2.89Å; L283-L285 VanDerWaalsContact C-N 3.35Å; L283-L285 PolarHBondContact O-N 3.46Å; L283-L286 PolarHBondContact O-N 2.92Å; L283-V287 HydrophobicContact CD1-CG2 3.99Å; L283-V287 VanDerWaalsContact O-CG2 3.28Å; L283-V287 WeakPolarHBondContact O-CG2 3.5Å; L283-V287 PolarHBondContact O-N 3.04Å; L283-F356 HydrophobicContact CD2-CB 4.14Å; L283-F356 HydrophobicContact CD2-CD2 3.5Å; L283-F356 HydrophobicContact CD2-CE2 4.26Å; L283-F356 HydrophobicContact CD2-CG 4.16Å; L283-E359 HydrophobicContact CD2-CB 3.62Å; L283-E359 HydrophobicContact CG-CB 3.77Å; L283-L360 HydrophobicContact CD1-CD2 4.23Å; L283-L360 HydrophobicContact CD2-CD2 3.83Å; L283-L360 HydrophobicContact CD2-CG 3.78Å; L283-L363 HydrophobicContact CD1-CB 3.94Å; L283-L363 HydrophobicContact CD1-CD2 3.5Å; L283-L363 HydrophobicContact CD1-CG 4.27Å
284Q98.1Very high91.7Very high3 Ų316.7 Ų16.71%0.01410%0.098CC..Hα-helixtrans-60.5-44.9178.5-68.3-178.8-5.300111.9L209 E280 V281 A288 E359 L742 N746L209-Q284 HydrophobicContact CD2-CB 3.79Å; E280-Q284 WeakPolarHBondContact O-CG 3.06Å; E280-Q284 PolarHBondContact O-N 3.08Å; V281-Q284 PolarHBondContact O-N 3.32Å; Q284-A288 WeakPolarHBondContact O-CB 3.45Å; Q284-A288 PolarHBondContact O-N 3.35Å; Q284-E359 HydrophobicContact CG-CG 4.17Å; Q284-E359 PolarHBondContact NE2-OE1 3.36Å; Q284-L742 HydrophobicContact CB-CD2 3.56Å; Q284-L742 HydrophobicContact CG-CD2 3.31Å; Q284-N746 PolarHBondContact NE2-ND2 3.47Å; Q284-N746 PolarHBondContact OE1-ND2 3.21Å
285L98.5Very high89.9Confident0 Ų021 Ų210%012%0.121CC..Hα-helixtrans-63.6-45.5176-179.368.5000111.8L205 L208 L209 L212 L235 L250 V281 A282 L283 V287 A288 A289L205-L285 HydrophobicContact CD2-CD2 3.43Å; L205-L285 VanDerWaalsContact CD2-CD2 3.43Å; L208-L285 HydrophobicContact CB-CD1 4.39Å; L208-L285 HydrophobicContact CD2-CD1 4.18Å; L208-L285 HydrophobicContact CD2-CD2 3.69Å; L208-L285 HydrophobicContact CG-CD1 3.91Å; L208-L285 HydrophobicContact CG-CD2 4.26Å; L209-L285 HydrophobicContact CB-CD1 4.37Å; L212-L285 HydrophobicContact CD1-CD1 3.62Å; L212-L285 HydrophobicContact CG-CD1 4.46Å; L235-L285 HydrophobicContact CD2-CD1 4.37Å; L250-L285 HydrophobicContact CD1-CD2 4.02Å; L250-L285 HydrophobicContact CD1-CG 4.38Å; L250-L285 HydrophobicContact CD2-CD2 4.22Å; V281-L285 VanDerWaalsContact O-CB 3.31Å; V281-L285 WeakPolarHBondContact O-CB 3.43Å; V281-L285 PolarHBondContact O-N 3.34Å; A282-L285 PolarHBondContact O-N 2.77Å; L283-L285 VanDerWaalsContact C-N 3.35Å; L283-L285 PolarHBondContact O-N 3.46Å; L285-V287 VanDerWaalsContact C-N 3.34Å; L285-V287 PolarHBondContact O-N 3.08Å; L285-A288 PolarHBondContact O-N 2.64Å; L285-A289 VanDerWaalsContact O-CB 3.27Å; L285-A289 WeakPolarHBondContact O-CB 3.41Å; L285-A289 PolarHBondContact O-N 3.45Å
286L98.5Very high87.6Confident1 Ų126.8 Ų26.81%0.00515%0.148CC..Hα-helixtrans-61.1-45.1180179.459.9000111.1F247 L250 I251 I254 A282 L283 A289 L290 F314 L363F247-L286 HydrophobicContact CD2-CD1 4.22Å; F247-L286 HydrophobicContact CE2-CD1 4.42Å; L250-L286 HydrophobicContact CB-CB 4.42Å; L250-L286 HydrophobicContact CD1-CB 4.36Å; I251-L286 HydrophobicContact CG1-CD2 3.7Å; I254-L286 HydrophobicContact CD1-CB 4.2Å; I254-L286 HydrophobicContact CD1-CD2 3.61Å; A282-L286 VanDerWaalsContact O-CB 3.31Å; A282-L286 WeakPolarHBondContact O-CB 3.2Å; A282-L286 PolarHBondContact O-N 2.74Å; L283-L286 PolarHBondContact O-N 2.92Å; L286-A289 PolarHBondContact O-N 3.04Å; L286-L290 HydrophobicContact CD1-CD1 4.12Å; L286-L290 HydrophobicContact CD1-CG 4.29Å; L286-L290 HydrophobicContact CG-CD1 4.06Å; L286-L290 WeakPolarHBondContact O-CB 3.48Å; L286-L290 VanDerWaalsContact O-CG 3.24Å; L286-L290 WeakPolarHBondContact O-CG 3.5Å; L286-L290 PolarHBondContact O-N 3.19Å; L286-F314 HydrophobicContact CD1-CD1 4.03Å; L286-F314 HydrophobicContact CD1-CE1 4.49Å; L286-L363 HydrophobicContact CD2-CD1 3.78Å; L286-L363 HydrophobicContact CD2-CD2 4.08Å; L286-L363 HydrophobicContact CG-CD1 3.99Å
287V97.6Very high85Confident0 Ų032 Ų320%019%0.191CC..Hα-helixtrans-66.8-39.1179-1780000111.4L283 L285 A289 L290 D291 V362 L363 L738L283-V287 HydrophobicContact CD1-CG2 3.99Å; L283-V287 VanDerWaalsContact O-CG2 3.28Å; L283-V287 WeakPolarHBondContact O-CG2 3.5Å; L283-V287 PolarHBondContact O-N 3.04Å; L285-V287 VanDerWaalsContact C-N 3.34Å; L285-V287 PolarHBondContact O-N 3.08Å; V287-A289 VanDerWaalsContact C-N 3.34Å; V287-L290 PolarHBondContact O-N 2.86Å; V287-D291 PolarHBondContact O-N 3.22Å; V287-V362 HydrophobicContact CG1-CB 3.92Å; V287-V362 HydrophobicContact CG1-CG1 3.32Å; V287-L363 HydrophobicContact CG2-CB 3.68Å; V287-L363 HydrophobicContact CG2-CD1 4.02Å; V287-L363 HydrophobicContact CG2-CG 4.36Å; V287-L738 HydrophobicContact CB-CD1 4.12Å; V287-L738 HydrophobicContact CG1-CD1 3.4Å; V287-L738 VanDerWaalsContact CG1-CD1 3.4Å; V287-L738 HydrophobicContact CG1-CD2 3.77Å; V287-L738 HydrophobicContact CG1-CG 4.2Å
288A96.8Very high82.3Confident3 Ų333 Ų333%0.02521%0.211CC..Hα-helixtrans-64.9-36.4172.600000112.5L209 L212 Q284 L285 L290 D291 W739 L742L209-A288 HydrophobicContact CD1-CB 3.99Å; L212-A288 HydrophobicContact CD1-CB 4.03Å; Q284-A288 WeakPolarHBondContact O-CB 3.45Å; Q284-A288 PolarHBondContact O-N 3.35Å; L285-A288 PolarHBondContact O-N 2.64Å; A288-L290 VanDerWaalsContact C-N 3.29Å; A288-L290 PolarHBondContact O-N 2.87Å; A288-D291 WeakPolarHBondContact O-CB 3.44Å; A288-D291 PolarHBondContact O-N 3.44Å; A288-W739 HydrophobicContact CB-CH2 4.25Å; A288-W739 HydrophobicContact CB-CZ2 4Å; A288-L742 HydrophobicContact CB-CD1 4.48Å
289A97Very high79.1Confident0 Ų035.6 Ų35.60%024%0.239CC..Hα-helixtrans-71.2-24.4177.600000113.2L232 L285 L286 V287 D291 N312 F314L232-A289 HydrophobicContact CD1-CB 4.25Å; L285-A289 VanDerWaalsContact O-CB 3.27Å; L285-A289 WeakPolarHBondContact O-CB 3.41Å; L285-A289 PolarHBondContact O-N 3.45Å; L286-A289 PolarHBondContact O-N 3.04Å; V287-A289 VanDerWaalsContact C-N 3.34Å; A289-D291 VanDerWaalsContact C-N 3.32Å; A289-N312 PolarHBondContact O-ND2 2.98Å; A289-F314 HydrophobicContact CB-CD1 3.77Å; A289-F314 HydrophobicContact CB-CD2 4.31Å; A289-F314 HydrophobicContact CB-CE1 3.99Å; A289-F314 HydrophobicContact CB-CE2 4.47Å; A289-F314 HydrophobicContact CB-CG 3.97Å; A289-F314 HydrophobicContact CB-CZ 4.34Å
290L95.6Very high76Confident1 Ų143.5 Ų43.51%0.00528%0.279CS..THydrogen-bonded Turntrans-86.31.1175.3-69171.8000113.3L286 V287 A288 Q292 F314 V315 L318 L363 K366 Y370L286-L290 HydrophobicContact CD1-CD1 4.12Å; L286-L290 HydrophobicContact CD1-CG 4.29Å; L286-L290 HydrophobicContact CG-CD1 4.06Å; L286-L290 WeakPolarHBondContact O-CB 3.48Å; L286-L290 VanDerWaalsContact O-CG 3.24Å; L286-L290 WeakPolarHBondContact O-CG 3.5Å; L286-L290 PolarHBondContact O-N 3.19Å; V287-L290 PolarHBondContact O-N 2.86Å; A288-L290 VanDerWaalsContact C-N 3.29Å; A288-L290 PolarHBondContact O-N 2.87Å; L290-Q292 PolarHBondContact O-N 3.07Å; L290-F314 HydrophobicContact CD2-CB 4.06Å; L290-V315 HydrophobicContact CD2-CG2 3.95Å; L290-L318 HydrophobicContact CD1-CD2 3.86Å; L290-L318 HydrophobicContact CD2-CB 4.42Å; L290-L318 HydrophobicContact CD2-CD2 3.72Å; L290-L318 HydrophobicContact CG-CD2 4.46Å; L290-L363 HydrophobicContact CD1-CD1 3.68Å; L290-K366 HydrophobicContact CD1-CB 4.37Å; L290-Y370 HydrophobicContact CB-CE2 4.24Å; L290-Y370 WeakPolarHBondContact O-CE2 3.34Å; L290-Y370 PolarHBondContact O-OH 3.27Å
291D90.2Very high73Confident13 Ų1345.9 Ų45.97%0.0730%0.301CS..  trans-76.387.4175-175.914.9000111.1L232 V287 A288 A289 R735L232-D291 WeakPolarHBondContact CD2-O 3.33Å; V287-D291 PolarHBondContact O-N 3.22Å; A288-D291 WeakPolarHBondContact O-CB 3.44Å; A288-D291 PolarHBondContact O-N 3.44Å; A289-D291 VanDerWaalsContact C-N 3.32Å; D291-R735 IonicContact OD1-CZ 3.08Å; D291-R735 IonicContact OD1-NE 3.33Å; D291-R735 PolarHBondContact OD1-NE 3.09Å; D291-R735 IonicContact OD1-NH2 3.34Å; D291-R735 PolarHBondContact OD1-NH2 3.04Å; D291-R735 WeakPolarHBondContact OD2-CG 3.22Å; D291-R735 IonicContact OD2-CZ 2.89Å; D291-R735 IonicContact OD2-NE 3.83Å; D291-R735 PolarHBondContact OD2-NE 3.41Å; D291-R735 IonicContact OD2-NH2 3.38Å
292Q81.3Confident70.2Confident63 Ų6349.8 Ų49.829%0.29433%0.328SS..  trans-100.9138.2173.6-172174.5-14.700110.1L290 T294 V315L290-Q292 PolarHBondContact O-N 3.07Å; Q292-T294 PolarHBondContact O-N 3.22Å; Q292-V315 HydrophobicContact CB-CG2 4.29Å
293A68.1Low67.5Low55 Ų5557 Ų5746%0.45537%0.367SS..  trans-65124.3167.500000109.2N295A293-N295 PolarHBondContact O-N 3.16Å; A293-N295 VanDerWaalsContact O-N 3.08Å
294T58.8Low64.6Low51 Ų5163.5 Ų63.531%0.31340%0.402SS..  trans-65.4109.8164.727.70000108.4Q292 N731Q292-T294 PolarHBondContact O-N 3.22Å; T294-N731 WeakPolarHBondContact CB-ND2 3.25Å; T294-N731 WeakPolarHBondContact CG2-ND2 3.26Å; T294-N731 PolarHBondContact OG1-ND2 2.81Å
295N49.4Very low62Low105 Ų10570 Ų7056%0.56144%0.437SS*.  trans-63.9133.6148.8-70.1-14.6000106.5A293 A297A293-N295 PolarHBondContact O-N 3.16Å; A293-N295 VanDerWaalsContact O-N 3.08Å; N295-A297 PolarHBondContact O-N 3.41Å
296E41.2Very low59.1Low157 Ų15777.3 Ų77.373%0.73448%0.476SS*.  trans-56.2101.7175.2-67.7-178.1173.100108.9G298E296-G298 PolarHBondContact O-N 2.93Å
297A37.3Very low56.4Low110 Ų11084.5 Ų84.591%0.90951%0.513SS*.THydrogen-bonded Turntrans-66.1103.2168.700000107.4N295N295-A297 PolarHBondContact O-N 3.41Å
298G36.4Very low53.7Low74 Ų7491.2 Ų91.276%0.76355%0.547SS*.THydrogen-bonded Turntrans148-8.617000000117.1E296 I300E296-G298 PolarHBondContact O-N 2.93Å; G298-I300 PolarHBondContact O-N 3.32Å
299G28.1Very low51.7Low59 Ų5994.1 Ų94.161%0.60857%0.567SS**  trans-72.9107.1164.800000109.2S301G299-S301 PolarHBondContact O-N 3.05Å
300I31.4Very low50.1Low165 Ų165100.6 Ų100.685%0.84660%0.597SS**  trans-65.176.5157.3-57.3169.8000105.9G298 S302G298-I300 PolarHBondContact O-N 3.32Å; I300-S302 VanDerWaalsContact C-N 3.32Å; I300-S302 PolarHBondContact O-N 3.06Å
301S33.7Very low49.5Very low100 Ų100106 Ų10670%0.69962%0.622SS**  trans-88.386.915853.30000105.7G299G299-S301 PolarHBondContact O-N 3.05Å
302S40.3Very low49.7Very low85 Ų85105.9 Ų105.959%0.59462%0.621SS**THydrogen-bonded Turntrans-50.2132.5153.946.80000109.3I300I300-S302 VanDerWaalsContact C-N 3.32Å; I300-S302 PolarHBondContact O-N 3.06Å
303D40.9Very low50.4Low151 Ų151106 Ų10681%0.80762%0.619SS**THydrogen-bonded Turntrans8729.5157.6-51.9-24.3000120.8
304D37.5Very low51.8Low138 Ų138103.3 Ų103.374%0.73860%0.598SS**  trans-12277.5159.3-99-33.1000111.8N306D304-N306 PolarHBondContact O-N 3.44Å
305D43.7Very low53.6Low140 Ų140101.6 Ų101.675%0.74959%0.587SS**THydrogen-bonded Turntrans-63.81.1173.3-96.6-20.9000114.1
306N37.2Very low55.8Low153 Ų15397.7 Ų97.782%0.81857%0.566SS**THydrogen-bonded Turntrans-104.4-1.1-174.8-83.5-21.5000115.8D304D304-N306 PolarHBondContact O-N 3.44Å
307L41.6Very low58.4Low151 Ų15192.2 Ų92.279%0.79154%0.539SS*.  trans-105.960.6166.7-139.385.9000109.6S309L307-S309 PolarHBondContact O-N 3.46Å
308M42.2Very low61.3Low142 Ų14287 Ų8770%0.750%0.496SS*.  trans-54.692.2163.8-72.1-74.9115.500107.5H310M308-H310 PolarHBondContact O-N 3.42Å
309S54.4Low64.1Low64 Ų6485.8 Ų85.845%0.44848%0.476SS..  trans-55.5115.1178.958.90000107.3L307 E311L307-S309 PolarHBondContact O-N 3.46Å; S309-E311 PolarHBondContact O-N 2.81Å
310H63.5Low67.4Low136 Ų13690.1 Ų90.163%0.6347%0.474SS*.  trans-51.1117.4179.4-78.8-71.6000109.3L233 M308 N312L233-H310 HydrophobicContact CD2-CB 3.98Å; M308-H310 PolarHBondContact O-N 3.42Å; H310-N312 PolarHBondContact O-N 2.91Å
311E83Confident70.5Confident114 Ų11482.8 Ų82.853%0.53344%0.436SS..  trans-68.3121.9-179.2-69.7-168.117800109.7S309 Y313 N316S309-E311 PolarHBondContact O-N 2.81Å; E311-Y313 HydrophobicContact CB-CE2 4.34Å; E311-Y313 WeakPolarHBondContact O-CD2 3.44Å; E311-Y313 PolarHBondContact O-N 3.3Å; E311-N316 PolarHBondContact OE2-ND2 3.46Å
312N94.2Very high73.5Confident11 Ų1182.4 Ų82.46%0.05942%0.423CS..  trans-75.7106.8168.7-178.9-27.9000108.9S236 A289 H310 F314 V315 N316S236-N312 VanDerWaalsContact CB-OD1 3.31Å; S236-N312 WeakPolarHBondContact CB-OD1 3.25Å; A289-N312 PolarHBondContact O-ND2 2.98Å; H310-N312 PolarHBondContact O-N 2.91Å; N312-F314 VanDerWaalsContact C-N 3.29Å; N312-F314 PolarHBondContact O-N 2.86Å; N312-F314 WeakPolarHBondContact OD1-CB 3.35Å; N312-F314 PolarHBondContact OD1-N 3.18Å; N312-V315 HydrophobicContact CB-CB 4.31Å; N312-V315 HydrophobicContact CB-CG2 4.16Å; N312-V315 PolarHBondContact O-N 2.92Å; N312-V315 PolarHBondContact OD1-N 3.34Å; N312-N316 PolarHBondContact O-N 3.36Å
313Y95.7Very high76.1Confident64 Ų6485 Ų8525%0.25142%0.42SS..Hα-helixtrans-67.3-25.2-176.4-81.3-106.1000113.6S236 A238 E311 N316 Y317S236-Y313 VanDerWaalsContact O-CB 3.28Å; S236-Y313 WeakPolarHBondContact O-CB 3.37Å; S236-Y313 VanDerWaalsContact O-CD2 3.22Å; S236-Y313 WeakPolarHBondContact O-CD2 3.45Å; S236-Y313 PolarHBondContact O-N 2.9Å; A238-Y313 HydrophobicContact CB-CE2 3.73Å; A238-Y313 WeakPolarHBondContact CB-OH 3.2Å; E311-Y313 HydrophobicContact CB-CE2 4.34Å; E311-Y313 WeakPolarHBondContact O-CD2 3.44Å; E311-Y313 PolarHBondContact O-N 3.3Å; Y313-N316 PolarHBondContact O-N 3.27Å; Y313-Y317 HydrophobicContact CD1-CE1 4.17Å; Y313-Y317 HydrophobicContact CD1-CE2 4.33Å; Y313-Y317 AromaticContact CD1-CZ 3.73Å; Y313-Y317 WeakPolarHBondContact CD1-OH 3.42Å; Y313-Y317 WeakPolarHBondContact O-CB 3.5Å; Y313-Y317 WeakPolarHBondContact O-CD2 3.41Å; Y313-Y317 PolarHBondContact O-N 3.24Å
314F97.6Very high78.7Confident0 Ų082.3 Ų82.30%041%0.405CS..Hα-helixtrans-63.2-44.8173.2-77.5-107.9000110.8L235 V243 L246 F247 L250 L286 A289 L290 N312 L318L235-F314 HydrophobicContact CG-CE2 4.17Å; L235-F314 HydrophobicContact CG-CZ 4.49Å; V243-F314 HydrophobicContact CG2-CD2 3.94Å; V243-F314 HydrophobicContact CG2-CE2 3.69Å; L246-F314 HydrophobicContact CD2-CZ 4.08Å; L246-F314 HydrophobicContact CG-CZ 4.17Å; F247-F314 HydrophobicContact CB-CD1 4.06Å; F247-F314 HydrophobicContact CB-CE1 4.01Å; F247-F314 HydrophobicContact CD2-CB 4.29Å; F247-F314 AromaticContact CD2-CD1 3.7Å; F247-F314 HydrophobicContact CD2-CD1 3.7Å; F247-F314 HydrophobicContact CD2-CE1 4.39Å; F247-F314 HydrophobicContact CD2-CG 4.27Å; F247-F314 WeakPolarHBondContact CE2-O 3.42Å; F247-F314 HydrophobicContact CG-CD1 4.38Å; L250-F314 HydrophobicContact CD1-CE1 4Å; L286-F314 HydrophobicContact CD1-CD1 4.03Å; L286-F314 HydrophobicContact CD1-CE1 4.49Å; A289-F314 HydrophobicContact CB-CD1 3.77Å; A289-F314 HydrophobicContact CB-CD2 4.31Å; A289-F314 HydrophobicContact CB-CE1 3.99Å; A289-F314 HydrophobicContact CB-CE2 4.47Å; A289-F314 HydrophobicContact CB-CG 3.97Å; A289-F314 HydrophobicContact CB-CZ 4.34Å; L290-F314 HydrophobicContact CD2-CB 4.06Å; N312-F314 VanDerWaalsContact C-N 3.29Å; N312-F314 PolarHBondContact O-N 2.86Å; N312-F314 WeakPolarHBondContact OD1-CB 3.35Å; N312-F314 PolarHBondContact OD1-N 3.18Å; F314-L318 WeakPolarHBondContact O-CB 3.48Å; F314-L318 PolarHBondContact O-N 2.93Å
315V95.8Very high81.5Confident15 Ų1582.6 Ų82.69%0.09140%0.402CS..Hα-helixtrans-65.5-42.4175.4177.20000110.3L290 Q292 N312 L318 S319 Y370L290-V315 HydrophobicContact CD2-CG2 3.95Å; Q292-V315 HydrophobicContact CB-CG2 4.29Å; N312-V315 HydrophobicContact CB-CB 4.31Å; N312-V315 HydrophobicContact CB-CG2 4.16Å; N312-V315 PolarHBondContact O-N 2.92Å; N312-V315 PolarHBondContact OD1-N 3.34Å; V315-L318 PolarHBondContact O-N 3.21Å; V315-S319 WeakPolarHBondContact O-CB 3.41Å; V315-S319 PolarHBondContact O-N 3.26Å; V315-S319 PolarHBondContact O-OG 3.26Å; V315-Y370 HydrophobicContact CG1-CD1 3.86Å; V315-Y370 HydrophobicContact CG1-CD2 4.14Å; V315-Y370 HydrophobicContact CG1-CE1 4.11Å; V315-Y370 HydrophobicContact CG1-CE2 4.31Å; V315-Y370 HydrophobicContact CG1-CG 3.89Å; V315-Y370 HydrophobicContact CG2-CD2 4.34Å; V315-Y370 HydrophobicContact CG2-CE2 3.91Å
316N95.4Very high84.1Confident22 Ų2277.4 Ų77.412%0.11837%0.374CS..Hα-helixtrans-58.5-51.7177.1-164.5-29.2000111.3E311 N312 Y313 L318 S319 R320E311-N316 PolarHBondContact OE2-ND2 3.46Å; N312-N316 PolarHBondContact O-N 3.36Å; Y313-N316 PolarHBondContact O-N 3.27Å; N316-L318 PolarHBondContact O-N 3.01Å; N316-S319 PolarHBondContact O-N 3.35Å; N316-S319 PolarHBondContact O-OG 3.04Å; N316-R320 PolarHBondContact ND2-NH2 3.18Å; N316-R320 WeakPolarHBondContact O-CG 3.16Å; N316-R320 PolarHBondContact O-N 3.04Å; N316-R320 VanDerWaalsContact O-N 3.14Å; N316-R320 WeakPolarHBondContact OD1-CD 3.42Å; N316-R320 PolarHBondContact OD1-NE 3.03Å; N316-R320 PolarHBondContact OD1-NH2 2.6Å; N316-R320 VanDerWaalsContact OD1-NH2 3.17Å
317Y97.1Very high86.9Confident42 Ų4270.3 Ų70.317%0.16534%0.336CS..Hα-helixtrans-61.3-44.6177.8-61.6-39.9000112.5V243 L244 F247 Y313 S319 R320 I321V243-Y317 HydrophobicContact CG1-CE2 4.02Å; V243-Y317 HydrophobicContact CG2-CE2 4.2Å; L244-Y317 HydrophobicContact CB-CD2 4.46Å; L244-Y317 HydrophobicContact CB-CE1 4.47Å; L244-Y317 HydrophobicContact CB-CE2 3.7Å; L244-Y317 HydrophobicContact CD1-CD1 4.08Å; L244-Y317 HydrophobicContact CD1-CD2 4.02Å; L244-Y317 HydrophobicContact CD1-CE1 4.07Å; L244-Y317 HydrophobicContact CD1-CE2 4.02Å; L244-Y317 HydrophobicContact CD1-CG 4.08Å; L244-Y317 HydrophobicContact CG-CE2 4.48Å; F247-Y317 HydrophobicContact CB-CD2 4.1Å; F247-Y317 HydrophobicContact CD1-CD2 4.12Å; F247-Y317 HydrophobicContact CD1-CG 4.23Å; F247-Y317 VanDerWaalsContact CE1-CB 3.47Å; F247-Y317 HydrophobicContact CG-CD2 4.06Å; Y313-Y317 HydrophobicContact CD1-CE1 4.17Å; Y313-Y317 HydrophobicContact CD1-CE2 4.33Å; Y313-Y317 AromaticContact CD1-CZ 3.73Å; Y313-Y317 WeakPolarHBondContact CD1-OH 3.42Å; Y313-Y317 WeakPolarHBondContact O-CB 3.5Å; Y313-Y317 WeakPolarHBondContact O-CD2 3.41Å; Y313-Y317 PolarHBondContact O-N 3.24Å; Y317-S319 VanDerWaalsContact C-N 3.32Å; Y317-S319 PolarHBondContact O-N 2.96Å; Y317-R320 PolarHBondContact O-N 3.43Å; Y317-R320 VanDerWaalsContact O-N 3.11Å; Y317-I321 PolarHBondContact O-N 2.88Å
318L97.5Very high89.5Confident2 Ų268.4 Ų68.41%0.0132%0.324CS..Hα-helixtrans-59-42.4176.2-179.760.7000112.2F247 L290 F314 V315 N316 R320 I321 M330 Y370 N371F247-L318 HydrophobicContact CE2-CB 4Å; F247-L318 HydrophobicContact CZ-CB 3.94Å; L290-L318 HydrophobicContact CD1-CD2 3.86Å; L290-L318 HydrophobicContact CD2-CB 4.42Å; L290-L318 HydrophobicContact CD2-CD2 3.72Å; L290-L318 HydrophobicContact CG-CD2 4.46Å; F314-L318 WeakPolarHBondContact O-CB 3.48Å; F314-L318 PolarHBondContact O-N 2.93Å; V315-L318 PolarHBondContact O-N 3.21Å; N316-L318 PolarHBondContact O-N 3.01Å; L318-R320 PolarHBondContact O-N 3.4Å; L318-I321 HydrophobicContact CD1-CD1 4.15Å; L318-I321 PolarHBondContact O-N 2.88Å; L318-M330 HydrophobicContact CD1-CE 4.2Å; L318-Y370 HydrophobicContact CD2-CD2 4.04Å; L318-N371 PolarHBondContact O-ND2 3.15Å
319S96.3Very high92.1Very high48 Ų4864 Ų6434%0.33630%0.301SS..Hα-helixtrans-66.6-24.9178.278.60000113.4V315 N316 Y317V315-S319 WeakPolarHBondContact O-CB 3.41Å; V315-S319 PolarHBondContact O-N 3.26Å; V315-S319 PolarHBondContact O-OG 3.26Å; N316-S319 PolarHBondContact O-N 3.35Å; N316-S319 PolarHBondContact O-OG 3.04Å; Y317-S319 VanDerWaalsContact C-N 3.32Å; Y317-S319 PolarHBondContact O-N 2.96Å
320R96.3Very high94.2Very high149 Ų14961 Ų6156%0.56228%0.28SS*.Hα-helixtrans-88.1-14.6-177.6-74.1-179.6-178.4172.28.7114.1N316 Y317 L318 H322N316-R320 PolarHBondContact ND2-NH2 3.18Å; N316-R320 WeakPolarHBondContact O-CG 3.16Å; N316-R320 PolarHBondContact O-N 3.04Å; N316-R320 VanDerWaalsContact O-N 3.14Å; N316-R320 WeakPolarHBondContact OD1-CD 3.42Å; N316-R320 PolarHBondContact OD1-NE 3.03Å; N316-R320 PolarHBondContact OD1-NH2 2.6Å; N316-R320 VanDerWaalsContact OD1-NH2 3.17Å; Y317-R320 PolarHBondContact O-N 3.43Å; Y317-R320 VanDerWaalsContact O-N 3.11Å; L318-R320 PolarHBondContact O-N 3.4Å; R320-H322 PolarHBondContact O-N 3.5Å; R320-H322 PolarHBondContact O-ND1 2.79Å
321I97.1Very high95.8Very high12 Ų1254.6 Ų54.66%0.06225%0.25CC..  trans-57.8131.6172.5-55.1177.7000108.5I185 F247 I251 Y317 L318 D326 F327 M330 N371I185-I321 HydrophobicContact CD1-CD1 3.92Å; I185-I321 HydrophobicContact CG2-CD1 4.47Å; F247-I321 HydrophobicContact CE1-CD1 4.46Å; F247-I321 HydrophobicContact CZ-CD1 4.24Å; I251-I321 HydrophobicContact CD1-CD1 4.24Å; Y317-I321 PolarHBondContact O-N 2.88Å; L318-I321 HydrophobicContact CD1-CD1 4.15Å; L318-I321 PolarHBondContact O-N 2.88Å; I321-D326 HydrophobicContact CG2-CB 3.73Å; I321-F327 HydrophobicContact CB-CE1 4.02Å; I321-F327 HydrophobicContact CG2-CD1 3.85Å; I321-F327 HydrophobicContact CG2-CE1 3.58Å; I321-F327 HydrophobicContact CG2-CZ 4.49Å; I321-F327 WeakPolarHBondContact O-CE1 3.29Å; I321-F327 WeakPolarHBondContact O-CZ 3.43Å; I321-M330 HydrophobicContact CD1-SD 4.05Å; I321-M330 HydrophobicContact CG2-SD 4.4Å; I321-N371 PolarHBondContact O-ND2 3Å
322H95.8Very high96.4Very high92 Ų9252.7 Ų52.743%0.42624%0.243SC..  trans-151.7-9.4-172.462.5-85.5000115.2R320 K373R320-H322 PolarHBondContact O-N 3.5Å; R320-H322 PolarHBondContact O-ND1 2.79Å; H322-K373 HydrophobicContact CB-CD 4.16Å
323R96Very high96.6Very high138 Ų13852.1 Ų52.152%0.52124%0.24SC..  trans-76138.5179-55.8-70.7172.4174.9-2.4108.9E325 D326 F327R323-E325 VanDerWaalsContact C-N 3.28Å; R323-E325 HydrophobicContact CB-CG 3.91Å; R323-E325 PolarHBondContact O-N 3.3Å; R323-D326 HydrophobicContact CB-CB 4.16Å; R323-D326 WeakPolarHBondContact CB-OD2 3.24Å; R323-D326 WeakPolarHBondContact CG-OD2 3.5Å; R323-D326 PolarHBondContact O-N 2.95Å; R323-F327 PolarHBondContact O-N 2.87Å; R323-F327 VanDerWaalsContact O-N 3.1Å
324D95.6Very high96.7Very high95 Ų9549.1 Ų49.151%0.50823%0.228SC..Hα-helixtrans-62.9-37.5179.8-80.4-37.8000111.6F327 E328 H377D324-F327 PolarHBondContact O-N 2.81Å; D324-E328 WeakPolarHBondContact O-CB 3.23Å; D324-E328 PolarHBondContact O-N 2.84Å; D324-H377 PolarHBondContact O-CE1 2.82Å; D324-H377 IonicContact OD1-CE1 3.14Å; D324-H377 IonicContact OD1-ND1 3.67Å; D324-H377 PolarHBondContact OD1-ND1 3.12Å
325E95.8Very high96.6Very high145 Ų14549.9 Ų49.968%0.67823%0.234SC*.Hα-helixtrans-62.8-39.5174.947.2-170.3146.500113R323 E328 F329R323-E325 VanDerWaalsContact C-N 3.28Å; R323-E325 HydrophobicContact CB-CG 3.91Å; R323-E325 PolarHBondContact O-N 3.3Å; E325-E328 PolarHBondContact O-N 2.6Å; E325-F329 WeakPolarHBondContact O-CB 2.96Å; E325-F329 PolarHBondContact O-N 3.23Å
326D97.1Very high96.6Very high30 Ų3052.9 Ų52.916%0.1624%0.244CC..Hα-helixtrans-65.5-42.5173.8-67.4-28.7000111.1I185 I321 R323 F329 M330I185-D326 HydrophobicContact CD1-CB 4.19Å; I185-D326 HydrophobicContact CG1-CB 4.08Å; I185-D326 HydrophobicContact CG2-CB 4.31Å; I321-D326 HydrophobicContact CG2-CB 3.73Å; R323-D326 HydrophobicContact CB-CB 4.16Å; R323-D326 WeakPolarHBondContact CB-OD2 3.24Å; R323-D326 WeakPolarHBondContact CG-OD2 3.5Å; R323-D326 PolarHBondContact O-N 2.95Å; D326-F329 PolarHBondContact O-N 3.04Å; D326-M330 VanDerWaalsContact O-CG 3.3Å; D326-M330 WeakPolarHBondContact O-CG 3.4Å; D326-M330 PolarHBondContact O-N 2.78Å
327F97.1Very high96.7Very high4 Ų451.9 Ų51.92%0.01824%0.238CC..Hα-helixtrans-66.8-39.5177.4-67.9-27.8000112.7I321 R323 D324 M330 L331 K373 F374 H377I321-F327 HydrophobicContact CB-CE1 4.02Å; I321-F327 HydrophobicContact CG2-CD1 3.85Å; I321-F327 HydrophobicContact CG2-CE1 3.58Å; I321-F327 HydrophobicContact CG2-CZ 4.49Å; I321-F327 WeakPolarHBondContact O-CE1 3.29Å; I321-F327 WeakPolarHBondContact O-CZ 3.43Å; R323-F327 PolarHBondContact O-N 2.87Å; R323-F327 VanDerWaalsContact O-N 3.1Å; D324-F327 PolarHBondContact O-N 2.81Å; F327-M330 HydrophobicContact CD1-SD 4.41Å; F327-M330 PolarHBondContact O-N 3.07Å; F327-L331 WeakPolarHBondContact O-CB 3.16Å; F327-L331 PolarHBondContact O-N 3.06Å; F327-K373 HydrophobicContact CE2-CB 3.8Å; F327-K373 HydrophobicContact CZ-CB 3.71Å; F327-F374 HydrophobicContact CB-CD2 4.13Å; F327-F374 HydrophobicContact CD1-CB 3.97Å; F327-F374 AromaticContact CD1-CD2 3.61Å; F327-F374 HydrophobicContact CD1-CD2 3.61Å; F327-F374 HydrophobicContact CD1-CG 4.26Å; F327-F374 HydrophobicContact CE1-CB 3.68Å; F327-F374 HydrophobicContact CE1-CD2 4.21Å; F327-F374 HydrophobicContact CE1-CG 4.42Å; F327-F374 HydrophobicContact CG-CD2 4.02Å; F327-F374 HydrophobicContact CZ-CB 4.11Å; F327-H377 HydrophobicContact CB-CB 4.15Å; F327-H377 HydrophobicContact CD2-CB 3.77Å; F327-H377 AromaticContact CD2-CG 3.9Å; F327-H377 AromaticContact CD2-ND1 3.89Å; F327-H377 HydrophobicContact CE2-CB 4.48Å; F327-H377 HydrophobicContact CG-CB 4.22Å
328E96.4Very high96.6Very high112 Ų11249.9 Ų49.952%0.52323%0.23SC..Hα-helixtrans-62.7-43.8174.3-180172.9-175.600110.8D324 E325 M330 L331 N332D324-E328 WeakPolarHBondContact O-CB 3.23Å; D324-E328 PolarHBondContact O-N 2.84Å; E325-E328 PolarHBondContact O-N 2.6Å; E328-M330 PolarHBondContact O-N 3.32Å; E328-L331 PolarHBondContact O-N 2.94Å; E328-N332 WeakPolarHBondContact CG-ND2 3.4Å; E328-N332 VanDerWaalsContact O-CB 3.24Å; E328-N332 WeakPolarHBondContact O-CB 3.41Å; E328-N332 PolarHBondContact O-N 3.02Å; E328-N332 PolarHBondContact O-ND2 2.95Å
329F97.2Very high96.5Very high49 Ų4951.4 Ų51.422%0.21524%0.239CC..Hα-helixtrans-57.5-48.5174.4172.8-108.7000112.2I185 F255 E325 D326 G333I185-F329 HydrophobicContact CD1-CD1 4.29Å; I185-F329 HydrophobicContact CG1-CD1 3.72Å; I185-F329 HydrophobicContact CG1-CE1 4.13Å; F255-F329 HydrophobicContact CB-CD1 4.11Å; F255-F329 HydrophobicContact CB-CE1 3.56Å; F255-F329 HydrophobicContact CB-CE2 4.34Å; F255-F329 HydrophobicContact CB-CZ 3.7Å; F255-F329 HydrophobicContact CD2-CE1 4.4Å; F255-F329 HydrophobicContact CG-CE1 4.48Å; E325-F329 WeakPolarHBondContact O-CB 2.96Å; E325-F329 PolarHBondContact O-N 3.23Å; D326-F329 PolarHBondContact O-N 3.04Å; F329-G333 PolarHBondContact O-N 2.89Å
330M97.6Very high96.3Very high2 Ų249.3 Ų49.31%0.0122%0.223CC..Hα-helixtrans-61.1-48.7176.9-67.3173.567.100111.9I185 F255 L318 I321 D326 F327 E328 G333 F334 C367 F374I185-M330 HydrophobicContact CD1-CG 3.57Å; I185-M330 HydrophobicContact CD1-SD 3.66Å; F255-M330 HydrophobicContact CD2-CB 4.28Å; F255-M330 HydrophobicContact CD2-CG 3.87Å; F255-M330 HydrophobicContact CE2-CB 4.12Å; F255-M330 HydrophobicContact CE2-CE 4.08Å; F255-M330 HydrophobicContact CE2-CG 3.73Å; F255-M330 HydrophobicContact CZ-CB 4.34Å; F255-M330 HydrophobicContact CZ-CE 4.34Å; F255-M330 HydrophobicContact CZ-CG 4.4Å; L318-M330 HydrophobicContact CD1-CE 4.2Å; I321-M330 HydrophobicContact CD1-SD 4.05Å; I321-M330 HydrophobicContact CG2-SD 4.4Å; D326-M330 VanDerWaalsContact O-CG 3.3Å; D326-M330 WeakPolarHBondContact O-CG 3.4Å; D326-M330 PolarHBondContact O-N 2.78Å; F327-M330 HydrophobicContact CD1-SD 4.41Å; F327-M330 PolarHBondContact O-N 3.07Å; E328-M330 PolarHBondContact O-N 3.32Å; M330-G333 PolarHBondContact O-N 2.94Å; M330-F334 WeakPolarHBondContact O-CD2 3.44Å; M330-F334 PolarHBondContact O-N 3.36Å; M330-C367 HydrophobicContact CE-CB 4.28Å; M330-F374 HydrophobicContact CB-CE2 3.9Å; M330-F374 HydrophobicContact CB-CZ 4.41Å; M330-F374 HydrophobicContact CE-CD2 4.43Å; M330-F374 HydrophobicContact CE-CE2 4.32Å; M330-F374 HydrophobicContact SD-CD2 4.47Å; M330-F374 HydrophobicContact SD-CE2 4.49Å
331L97.2Very high96.1Very high1 Ų143.1 Ų43.11%0.00520%0.203CC..Hα-helixtrans-64.6-42.2-177.4-176.652.1000111.5F327 E328 G333 F334 S335 V378 D383 M387F327-L331 WeakPolarHBondContact O-CB 3.16Å; F327-L331 PolarHBondContact O-N 3.06Å; E328-L331 PolarHBondContact O-N 2.94Å; L331-G333 VanDerWaalsContact C-N 3.33Å; L331-G333 PolarHBondContact O-N 3.35Å; L331-F334 PolarHBondContact O-N 2.7Å; L331-S335 WeakPolarHBondContact O-CB 3.06Å; L331-S335 PolarHBondContact O-N 2.99Å; L331-S335 PolarHBondContact O-OG 3.3Å; L331-V378 HydrophobicContact CD1-CG2 4.13Å; L331-V378 HydrophobicContact CD2-CG2 4.32Å; L331-D383 HydrophobicContact CD2-CB 3.92Å; L331-D383 HydrophobicContact CG-CB 4.39Å; L331-M387 HydrophobicContact CD1-CG 3.71Å; L331-M387 HydrophobicContact CD1-SD 4.12Å
332N96.4Very high95.8Very high73 Ų7343 Ų4339%0.3920%0.202SC..Hα-helixtrans-62.3-40.4174.3-75.1-26.1000111.8E328 R336E328-N332 WeakPolarHBondContact CG-ND2 3.4Å; E328-N332 VanDerWaalsContact O-CB 3.24Å; E328-N332 WeakPolarHBondContact O-CB 3.41Å; E328-N332 PolarHBondContact O-N 3.02Å; E328-N332 PolarHBondContact O-ND2 2.95Å; N332-R336 VanDerWaalsContact O-CB 3.24Å; N332-R336 WeakPolarHBondContact O-CB 3.35Å; N332-R336 PolarHBondContact O-N 3.42Å
333G97.4Very high95.4Very high0 Ų042.2 Ų42.20%020%0.201CC..Hα-helixtrans-60.3-49.3173.800000112.4F329 M330 L331 R336 L337F329-G333 PolarHBondContact O-N 2.89Å; M330-G333 PolarHBondContact O-N 2.94Å; L331-G333 VanDerWaalsContact C-N 3.33Å; L331-G333 PolarHBondContact O-N 3.35Å; G333-R336 PolarHBondContact O-N 3.1Å; G333-L337 WeakPolarHBondContact O-CB 3.34Å; G333-L337 VanDerWaalsContact O-CG 3.27Å; G333-L337 WeakPolarHBondContact O-CG 3.46Å; G333-L337 PolarHBondContact O-N 3.1Å
334F97.7Very high94.8Very high0 Ų041.7 Ų41.70%020%0.204CC..Hα-helixtrans-59-51.3175.2-79.4-63.3000112.5F255 M330 L331 R336 L337 L338 L360 L363 F364 F374 M387F255-F334 HydrophobicContact CE1-CD1 4.01Å; F255-F334 AromaticContact CE1-CD2 3.67Å; F255-F334 HydrophobicContact CE1-CD2 3.67Å; F255-F334 AromaticContact CE1-CE1 3.85Å; F255-F334 HydrophobicContact CE1-CE1 3.85Å; F255-F334 AromaticContact CE1-CE2 3.5Å; F255-F334 HydrophobicContact CE1-CE2 3.5Å; F255-F334 VanDerWaalsContact CE1-CE2 3.5Å; F255-F334 AromaticContact CE1-CG 3.92Å; F255-F334 HydrophobicContact CE1-CG 3.92Å; F255-F334 AromaticContact CE1-CZ 3.59Å; F255-F334 HydrophobicContact CE1-CZ 3.59Å; F255-F334 HydrophobicContact CZ-CD2 4.09Å; F255-F334 HydrophobicContact CZ-CE1 4.2Å; F255-F334 AromaticContact CZ-CE2 3.47Å; F255-F334 HydrophobicContact CZ-CE2 3.47Å; F255-F334 VanDerWaalsContact CZ-CE2 3.47Å; F255-F334 AromaticContact CZ-CZ 3.54Å; F255-F334 HydrophobicContact CZ-CZ 3.54Å; M330-F334 WeakPolarHBondContact O-CD2 3.44Å; M330-F334 PolarHBondContact O-N 3.36Å; L331-F334 PolarHBondContact O-N 2.7Å; F334-R336 VanDerWaalsContact C-N 3.32Å; F334-R336 PolarHBondContact O-N 3.03Å; F334-L337 PolarHBondContact O-N 3.47Å; F334-L338 WeakPolarHBondContact O-CB 3.47Å; F334-L338 WeakPolarHBondContact O-CG 3.34Å; F334-L338 PolarHBondContact O-N 3.04Å; F334-L360 HydrophobicContact CD1-CD2 4.3Å; F334-L360 HydrophobicContact CE1-CD2 4.37Å; F334-L360 WeakPolarHBondContact CE1-O 3.47Å; F334-L363 HydrophobicContact CE1-CB 4.18Å; F334-L363 HydrophobicContact CE1-CD2 4.12Å; F334-L363 HydrophobicContact CE1-CG 4.15Å; F334-L363 HydrophobicContact CZ-CB 4.32Å; F334-L363 HydrophobicContact CZ-CD2 4.02Å; F334-L363 HydrophobicContact CZ-CG 3.88Å; F334-F364 HydrophobicContact CD1-CB 4.11Å; F334-F364 HydrophobicContact CD1-CD2 4.37Å; F334-F364 AromaticContact CD2-CD2 3.96Å; F334-F364 HydrophobicContact CD2-CD2 3.96Å; F334-F364 HydrophobicContact CE1-CB 3.71Å; F334-F364 HydrophobicContact CE1-CD2 4.44Å; F334-F364 HydrophobicContact CE2-CD2 4.03Å; F334-F364 HydrophobicContact CG-CD2 4.14Å; F334-F364 HydrophobicContact CZ-CB 3.95Å; F334-F364 HydrophobicContact CZ-CD2 4.26Å; F334-F374 HydrophobicContact CD2-CZ 4.2Å; F334-F374 HydrophobicContact CE2-CE1 4.43Å; F334-F374 HydrophobicContact CE2-CZ 4.05Å; F334-M387 HydrophobicContact CB-CE 3.84Å; F334-M387 HydrophobicContact CB-SD 3.67Å; F334-M387 HydrophobicContact CG-CE 4.39Å
335S95.8Very high94.2Very high16 Ų1640.1 Ų40.111%0.11220%0.198CC..Hα-helixtrans-58.5-44.2-179.7-69.70000111.3L331 N339L331-S335 WeakPolarHBondContact O-CB 3.06Å; L331-S335 PolarHBondContact O-N 2.99Å; L331-S335 PolarHBondContact O-OG 3.3Å; S335-N339 VanDerWaalsContact O-CB 3.25Å; S335-N339 WeakPolarHBondContact O-CB 3.48Å; S335-N339 PolarHBondContact O-N 3.34Å; S335-N339 VanDerWaalsContact O-N 3.11Å; S335-N339 PolarHBondContact O-ND2 3.1Å
336R95.3Very high93.6Very high79 Ų7944.7 Ų44.730%0.29821%0.211SC..Hα-helixtrans-61-50.7177.3-178.6172.666.1-112.9-1.3111.6F255 S256 Y257 N332 G333 F334 N340F255-R336 PolarHBondContact O-NH2 3.01Å; S256-R336 VanDerWaalsContact C-NH2 3.34Å; S256-R336 PolarHBondContact O-NH2 3.24Å; Y257-R336 VanDerWaalsContact O-CZ 3.28Å; Y257-R336 PolarHBondContact O-NE 2.89Å; Y257-R336 PolarHBondContact O-NH2 3.22Å; N332-R336 VanDerWaalsContact O-CB 3.24Å; N332-R336 WeakPolarHBondContact O-CB 3.35Å; N332-R336 PolarHBondContact O-N 3.42Å; G333-R336 PolarHBondContact O-N 3.1Å; F334-R336 VanDerWaalsContact C-N 3.32Å; F334-R336 PolarHBondContact O-N 3.03Å; R336-N340 VanDerWaalsContact O-CB 3.3Å; R336-N340 WeakPolarHBondContact O-CB 3.37Å; R336-N340 PolarHBondContact O-N 3.32Å
337L97.2Very high93Very high0 Ų047.3 Ų47.30%022%0.224CC..Hα-helixtrans-73.2-38.6-173.9-64171.2000112.8I254 Y257 P259 G333 F334 P341 V354 F356 L360I254-L337 HydrophobicContact CG2-CD1 4.41Å; I254-L337 WeakPolarHBondContact O-CD1 3.35Å; Y257-L337 HydrophobicContact CD1-CD2 3.74Å; Y257-L337 HydrophobicContact CE1-CD2 4.44Å; P259-L337 HydrophobicContact CG-CD2 4.34Å; G333-L337 WeakPolarHBondContact O-CB 3.34Å; G333-L337 VanDerWaalsContact O-CG 3.27Å; G333-L337 WeakPolarHBondContact O-CG 3.46Å; G333-L337 PolarHBondContact O-N 3.1Å; F334-L337 PolarHBondContact O-N 3.47Å; L337-P341 WeakPolarHBondContact O-CD 3.5Å; L337-V354 HydrophobicContact CD2-CG1 4.47Å; L337-V354 VanDerWaalsContact O-CG2 3.25Å; L337-V354 WeakPolarHBondContact O-CG2 3.19Å; L337-F356 HydrophobicContact CD1-CE2 4.29Å; L337-F356 HydrophobicContact CD2-CE2 4.37Å; L337-F356 HydrophobicContact CD2-CZ 4.29Å; L337-L360 HydrophobicContact CB-CD1 3.54Å; L337-L360 HydrophobicContact CD1-CD1 4.36Å; L337-L360 HydrophobicContact CD1-CD2 3.99Å
338L96.2Very high92.3Very high0 Ų051.8 Ų51.80%025%0.254CS..Hα-helixtrans-72.4-34.2178.4-73172.9000113.1F334 H357 L360 L361 M387 P390 Y394F334-L338 WeakPolarHBondContact O-CB 3.47Å; F334-L338 WeakPolarHBondContact O-CG 3.34Å; F334-L338 PolarHBondContact O-N 3.04Å; L338-H357 HydrophobicContact CD2-CB 4.27Å; L338-L360 HydrophobicContact CD2-CB 3.88Å; L338-L360 HydrophobicContact CD2-CD1 4.11Å; L338-L360 HydrophobicContact CG-CB 4.42Å; L338-L360 HydrophobicContact CG-CD1 4.34Å; L338-L361 HydrophobicContact CD1-CD2 4.22Å; L338-L361 HydrophobicContact CD2-CD2 4.12Å; L338-L361 HydrophobicContact CD2-CG 4.26Å; L338-M387 HydrophobicContact CD1-CE 3.27Å; L338-M387 HydrophobicContact CD1-SD 4.08Å; L338-P390 HydrophobicContact CB-CB 4.07Å; L338-P390 HydrophobicContact CB-CG 3.98Å; L338-Y394 HydrophobicContact CD2-CE2 4.46Å
339N94.2Very high91.6Very high35 Ų3556.6 Ų56.619%0.18727%0.267CS..Hα-helixtrans-83.4-19.4177.5-73.7-76.2000113.1S335 L342 L343 D386S335-N339 VanDerWaalsContact O-CB 3.25Å; S335-N339 WeakPolarHBondContact O-CB 3.48Å; S335-N339 PolarHBondContact O-N 3.34Å; S335-N339 VanDerWaalsContact O-N 3.11Å; S335-N339 PolarHBondContact O-ND2 3.1Å; N339-L342 WeakPolarHBondContact O-CA 3.3Å; N339-L342 WeakPolarHBondContact O-CB 3.48Å; N339-L342 PolarHBondContact O-N 3.13Å; N339-L343 PolarHBondContact O-N 2.8Å; N339-D386 PolarHBondContact ND2-O 3.32Å
340N93.8Very high91Very high3 Ų354.4 Ų54.42%0.01626%0.258CS..G310 helixtrans-50.3-46.9-179162.7-93.5000113.7P259 R336 L342 L343 K352 K353 V354P259-N340 HydrophobicContact CG-CB 4.05Å; P259-N340 WeakPolarHBondContact CG-ND2 3.39Å; R336-N340 VanDerWaalsContact O-CB 3.3Å; R336-N340 WeakPolarHBondContact O-CB 3.37Å; R336-N340 PolarHBondContact O-N 3.32Å; N340-L342 PolarHBondContact O-N 3.03Å; N340-L343 WeakPolarHBondContact O-CB 3.43Å; N340-L343 PolarHBondContact O-N 2.87Å; N340-K352 PolarHBondContact ND2-O 3.06Å; N340-K352 PolarHBondContact OD1-O 3.42Å; N340-K353 VanDerWaalsContact OD1-CA 3.27Å; N340-K353 WeakPolarHBondContact OD1-CA 3.4Å; N340-V354 HydrophobicContact CB-CG2 4.34Å; N340-V354 PolarHBondContact OD1-N 2.99Å
341P91.6Very high90.4Very high20 Ų2055.8 Ų55.813%0.1327%0.267CS..G310 helixtrans-66.2-21.1177.9-25.137.9000114.3L337 K353 V354L337-P341 WeakPolarHBondContact O-CD 3.5Å; P341-K353 WeakPolarHBondContact O-CE 3.44Å; P341-K353 PolarHBondContact O-NZ 2.86Å; P341-V354 HydrophobicContact CG-CG2 3.82Å; P341-V354 WeakPolarHBondContact CG-O 3.49Å
342L90.9Very high89.9Confident9 Ų957.9 Ų57.95%0.04728%0.277CS..G310 helixtrans-88.9-14.3-176.4-49.2-172.3000113N339 N340 Q344 P390 Y393 V436N339-L342 WeakPolarHBondContact O-CA 3.3Å; N339-L342 WeakPolarHBondContact O-CB 3.48Å; N339-L342 PolarHBondContact O-N 3.13Å; N340-L342 PolarHBondContact O-N 3.03Å; L342-Q344 PolarHBondContact O-N 3.39Å; L342-Q344 PolarHBondContact O-NE2 3.42Å; L342-P390 HydrophobicContact CD1-CB 3.62Å; L342-Y393 HydrophobicContact CD1-CD1 4.29Å; L342-Y393 HydrophobicContact CD1-CG 4.13Å; L342-Y393 HydrophobicContact CD2-CD1 3.2Å; L342-Y393 HydrophobicContact CD2-CD2 4.02Å; L342-Y393 HydrophobicContact CD2-CE1 3.23Å; L342-Y393 HydrophobicContact CD2-CE2 4.05Å; L342-Y393 HydrophobicContact CD2-CG 3.6Å; L342-Y393 HydrophobicContact CG-CD1 4.39Å; L342-V436 HydrophobicContact CB-CG1 4.3Å; L342-V436 HydrophobicContact CD1-CG1 4.19Å
343L87.9Confident89.6Confident76 Ų7660.1 Ų60.140%0.39828%0.283SS..  trans-57.5131.1177.1-64.6175.7000110.8I260 N339 N340I260-L343 HydrophobicContact CD1-CD1 3.54Å; N339-L343 PolarHBondContact O-N 2.8Å; N340-L343 WeakPolarHBondContact O-CB 3.43Å; N340-L343 PolarHBondContact O-N 2.87Å
344Q82.8Confident89.4Confident127 Ų12760.5 Ų60.559%0.59329%0.285SS*.  trans-101.1121.1174.6-63.8-57.8-52.500109.1L342 P437L342-Q344 PolarHBondContact O-N 3.39Å; L342-Q344 PolarHBondContact O-NE2 3.42Å; Q344-P437 HydrophobicContact CG-CG 4.26Å; Q344-P437 VanDerWaalsContact NE2-CG 3.35Å
345T82.1Confident89.1Confident61 Ų6161.7 Ų61.737%0.37430%0.298SS..  trans-113.5143.9174.354.50000109.9L347T345-L347 PolarHBondContact O-N 3.27Å; T345-L347 PolarHBondContact OG1-O 3.09Å
346Y84.4Confident89Confident241 Ų24161 Ų6195%0.94529%0.293SS*.SBendtrans-57.1-37.2176.8-72.2-76.5000112.7
347L85Confident89.1Confident85 Ų8558.9 Ų58.945%0.44529%0.286SS..SBendtrans-91.5122.7176.4-66.1172.2000109.1P265 Y266 T345 S350P265-L347 HydrophobicContact CB-CD1 4.03Å; P265-L347 HydrophobicContact CG-CD1 4.03Å; Y266-L347 HydrophobicContact CE2-CD1 4.4Å; T345-L347 PolarHBondContact O-N 3.27Å; T345-L347 PolarHBondContact OG1-O 3.09Å; L347-S350 WeakPolarHBondContact CB-OG 3.41Å; L347-S350 VanDerWaalsContact O-CB 3.31Å; L347-S350 WeakPolarHBondContact O-CB 3.4Å; L347-S350 PolarHBondContact O-N 2.99Å; L347-S350 PolarHBondContact O-OG 3.03Å; L347-S350 VanDerWaalsContact O-OG 3.05Å
348P81.4Confident89Confident99 Ų9960.8 Ų60.864%0.64330%0.295SS*.THydrogen-bonded Turntrans-58.1143.4178.9-24.933.9000112.1S350P348-S350 PolarHBondContact O-N 3.28Å; P348-S350 PolarHBondContact O-OG 2.8Å
349R82.1Confident89.1Confident213 Ų21360.8 Ų60.880%0.80430%0.295SS*.THydrogen-bonded Turntrans50.924.1177.1-58.9-177.2-180172.60114.7H268H268-R349 PolarHBondContact CE1-O 3.29Å
350S84.7Confident89.2Confident3 Ų359.1 Ų59.12%0.02129%0.286CS..  trans-75.9-26.7-175.7-74.90000114.1Y266 L347 P348Y266-S350 VanDerWaalsContact CZ-OG 3.27Å; Y266-S350 PolarHBondContact N-O 2.94Å; Y266-S350 PolarHBondContact OH-OG 3.15Å; L347-S350 WeakPolarHBondContact CB-OG 3.41Å; L347-S350 VanDerWaalsContact O-CB 3.31Å; L347-S350 WeakPolarHBondContact O-CB 3.4Å; L347-S350 PolarHBondContact O-N 2.99Å; L347-S350 PolarHBondContact O-OG 3.03Å; L347-S350 VanDerWaalsContact O-OG 3.05Å; P348-S350 PolarHBondContact O-N 3.28Å; P348-S350 PolarHBondContact O-OG 2.8Å
351C84.2Confident89.5Confident30 Ų3059 Ų5920%0.20329%0.285CS..SBendtrans-108.2144.4175.5-65.70000110.6K353C351-K353 PolarHBondContact O-N 3.14Å
352K86.9Confident89.7Confident46 Ų4658.2 Ų58.220%0.228%0.28CS..  trans-62134.4170.2-172.3175.6175.7172.50108.8Y257 P259 H268 D273 N340Y257-K352 PolarHBondContact OH-NZ 3.27Å; Y257-K352 VanDerWaalsContact OH-NZ 3.17Å; P259-K352 WeakPolarHBondContact O-CB 3.42Å; H268-K352 HydrophobicContact CB-CB 3.76Å; H268-K352 HydrophobicContact CB-CD 4.24Å; H268-K352 HydrophobicContact CB-CG 4.3Å; H268-K352 PolarHBondContact ND1-N 3.2Å; D273-K352 IonicContact OD2-NZ 2.8Å; D273-K352 PolarHBondContact OD2-NZ 3.48Å; N340-K352 PolarHBondContact ND2-O 3.06Å; N340-K352 PolarHBondContact OD1-O 3.42Å
353K90Very high90Very high119 Ų11957.9 Ų57.952%0.51728%0.278SS..  trans-108.6127.3172.9-64.5-168.2175.2-159.60109.7N340 P341 C351N340-K353 VanDerWaalsContact OD1-CA 3.27Å; N340-K353 WeakPolarHBondContact OD1-CA 3.4Å; P341-K353 WeakPolarHBondContact O-CE 3.44Å; P341-K353 PolarHBondContact O-NZ 2.86Å; C351-K353 PolarHBondContact O-N 3.14Å
354V92.7Very high90.5Very high8 Ų854.3 Ų54.35%0.04826%0.26CS..  trans-74.7145.5176.6-62.20000111.5Y257 P259 L337 N340 P341 F356Y257-V354 HydrophobicContact CE1-CG1 4.07Å; P259-V354 HydrophobicContact CB-CG1 3.71Å; P259-V354 HydrophobicContact CG-CG1 3.88Å; L337-V354 HydrophobicContact CD2-CG1 4.47Å; L337-V354 VanDerWaalsContact O-CG2 3.25Å; L337-V354 WeakPolarHBondContact O-CG2 3.19Å; N340-V354 HydrophobicContact CB-CG2 4.34Å; N340-V354 PolarHBondContact OD1-N 2.99Å; P341-V354 HydrophobicContact CG-CG2 3.82Å; P341-V354 WeakPolarHBondContact CG-O 3.49Å; V354-F356 HydrophobicContact CB-CD1 4Å; V354-F356 HydrophobicContact CB-CE1 3.54Å; V354-F356 HydrophobicContact CB-CE2 4.25Å; V354-F356 HydrophobicContact CB-CZ 3.68Å; V354-F356 HydrophobicContact CG1-CE1 3.63Å; V354-F356 HydrophobicContact CG1-CE2 4.44Å; V354-F356 HydrophobicContact CG1-CZ 3.56Å; V354-F356 HydrophobicContact CG2-CZ 4.37Å
355G91.3Very high91.1Very high26 Ų2648.2 Ų48.227%0.26823%0.231SC..  trans-101.9-12.2-178.100000115.3H357G355-H357 VanDerWaalsContact C-N 3.34Å; G355-H357 PolarHBondContact O-N 3.38Å; G355-H357 PolarHBondContact O-ND1 3.38Å
356F95.3Very high91.7Very high1 Ų145.6 Ų45.60%0.00422%0.215CC..  trans-94.635.6-16749.8-96.3000114.1Y257 V279 E280 L283 L337 V354 Q358 E359 L360Y257-F356 HydrophobicContact CD1-CZ 4.15Å; Y257-F356 HydrophobicContact CE1-CE1 4.44Å; Y257-F356 HydrophobicContact CE1-CZ 4.06Å; V279-F356 HydrophobicContact CG1-CE2 4.37Å; V279-F356 HydrophobicContact CG1-CZ 4.02Å; E280-F356 HydrophobicContact CG-CB 4.35Å; E280-F356 HydrophobicContact CG-CD1 3.32Å; E280-F356 HydrophobicContact CG-CE1 3.77Å; E280-F356 HydrophobicContact CG-CG 4.06Å; L283-F356 HydrophobicContact CD2-CB 4.14Å; L283-F356 HydrophobicContact CD2-CD2 3.5Å; L283-F356 HydrophobicContact CD2-CE2 4.26Å; L283-F356 HydrophobicContact CD2-CG 4.16Å; L337-F356 HydrophobicContact CD1-CE2 4.29Å; L337-F356 HydrophobicContact CD2-CE2 4.37Å; L337-F356 HydrophobicContact CD2-CZ 4.29Å; V354-F356 HydrophobicContact CB-CD1 4Å; V354-F356 HydrophobicContact CB-CE1 3.54Å; V354-F356 HydrophobicContact CB-CE2 4.25Å; V354-F356 HydrophobicContact CB-CZ 3.68Å; V354-F356 HydrophobicContact CG1-CE1 3.63Å; V354-F356 HydrophobicContact CG1-CE2 4.44Å; V354-F356 HydrophobicContact CG1-CZ 3.56Å; V354-F356 HydrophobicContact CG2-CZ 4.37Å; F356-Q358 VanDerWaalsContact C-N 3.32Å; F356-Q358 PolarHBondContact O-N 2.98Å; F356-E359 VanDerWaalsContact C-OE2 3.25Å; F356-E359 WeakPolarHBondContact CA-OE2 3.3Å; F356-E359 PolarHBondContact O-N 2.83Å; F356-L360 HydrophobicContact CD2-CD1 3.72Å; F356-L360 HydrophobicContact CD2-CD2 4.47Å; F356-L360 HydrophobicContact CD2-CG 3.86Å; F356-L360 HydrophobicContact CE2-CD1 3.82Å; F356-L360 HydrophobicContact CE2-CD2 4.48Å; F356-L360 HydrophobicContact CE2-CG 4.22Å; F356-L360 WeakPolarHBondContact O-CG 3.4Å; F356-L360 PolarHBondContact O-N 2.89Å; F356-L360 VanDerWaalsContact O-N 3.14Å
357H95.7Very high92.3Very high35 Ų3534.2 Ų34.216%0.16217%0.17CC..Hα-helixtrans-67.1-31.4-178.261.2-80.6000112.7L338 G355 L360 L361 Y394L338-H357 HydrophobicContact CD2-CB 4.27Å; G355-H357 VanDerWaalsContact C-N 3.34Å; G355-H357 PolarHBondContact O-N 3.38Å; G355-H357 PolarHBondContact O-ND1 3.38Å; H357-L360 PolarHBondContact O-N 3.16Å; H357-L361 VanDerWaalsContact O-CG 3.26Å; H357-L361 WeakPolarHBondContact O-CG 3.45Å; H357-L361 PolarHBondContact O-N 2.87Å; H357-Y394 HydrophobicContact CB-CE1 4.38Å; H357-Y394 HydrophobicContact CB-CE2 3.9Å; H357-Y394 AromaticContact CD2-CD1 3.83Å; H357-Y394 AromaticContact CD2-CE1 3.72Å; H357-Y394 AromaticContact CD2-CZ 3.9Å; H357-Y394 AromaticContact CG-CE1 3.87Å; H357-Y394 AromaticContact CG-CZ 3.75Å
358Q96.5Very high92.8Very high39 Ų3930.2 Ų30.218%0.18215%0.149CC..Hα-helixtrans-65-46.7178.3-67.4-167.781.500110.8F356 L360 L361 V362 L407 Y737 V741F356-Q358 VanDerWaalsContact C-N 3.32Å; F356-Q358 PolarHBondContact O-N 2.98Å; Q358-L360 VanDerWaalsContact C-N 3.34Å; Q358-L360 PolarHBondContact O-N 3.38Å; Q358-L361 PolarHBondContact O-N 3.5Å; Q358-V362 WeakPolarHBondContact O-CG2 3.44Å; Q358-V362 PolarHBondContact O-N 3.41Å; Q358-V362 VanDerWaalsContact O-N 3.09Å; Q358-L407 HydrophobicContact CG-CD1 4.21Å; Q358-Y737 PolarHBondContact OE1-OH 3.33Å; Q358-V741 HydrophobicContact CB-CG1 3.8Å; Q358-V741 HydrophobicContact CB-CG2 4.2Å
359E97.1Very high93.3Very high0 Ų026.3 Ų26.30%012%0.123CC..Hα-helixtrans-64.7-38.1177.5-56.596.8133.200111.5L283 Q284 F356 L361 V362 L363 V741 L742 R745L283-E359 HydrophobicContact CD2-CB 3.62Å; L283-E359 HydrophobicContact CG-CB 3.77Å; Q284-E359 HydrophobicContact CG-CG 4.17Å; Q284-E359 PolarHBondContact NE2-OE1 3.36Å; F356-E359 VanDerWaalsContact C-OE2 3.25Å; F356-E359 WeakPolarHBondContact CA-OE2 3.3Å; F356-E359 PolarHBondContact O-N 2.83Å; E359-L361 PolarHBondContact O-N 3.36Å; E359-V362 PolarHBondContact O-N 3.01Å; E359-L363 PolarHBondContact O-N 3.43Å; E359-V741 HydrophobicContact CG-CG1 4.01Å; E359-L742 HydrophobicContact CG-CD2 4.21Å; E359-R745 WeakPolarHBondContact OE1-CG 3.4Å; E359-R745 IonicContact OE1-NE 2.71Å
360L98Very high93.8Very high0 Ų018.6 Ų18.60%09%0.094CC..Hα-helixtrans-62.5-40.3173.7-75.4169.9000112.7I254 L283 F334 L337 L338 F356 H357 Q358 L363 F364I254-L360 HydrophobicContact CG2-CD2 4.42Å; L283-L360 HydrophobicContact CD1-CD2 4.23Å; L283-L360 HydrophobicContact CD2-CD2 3.83Å; L283-L360 HydrophobicContact CD2-CG 3.78Å; F334-L360 HydrophobicContact CD1-CD2 4.3Å; F334-L360 HydrophobicContact CE1-CD2 4.37Å; F334-L360 WeakPolarHBondContact CE1-O 3.47Å; L337-L360 HydrophobicContact CB-CD1 3.54Å; L337-L360 HydrophobicContact CD1-CD1 4.36Å; L337-L360 HydrophobicContact CD1-CD2 3.99Å; L338-L360 HydrophobicContact CD2-CB 3.88Å; L338-L360 HydrophobicContact CD2-CD1 4.11Å; L338-L360 HydrophobicContact CG-CB 4.42Å; L338-L360 HydrophobicContact CG-CD1 4.34Å; F356-L360 HydrophobicContact CD2-CD1 3.72Å; F356-L360 HydrophobicContact CD2-CD2 4.47Å; F356-L360 HydrophobicContact CD2-CG 3.86Å; F356-L360 HydrophobicContact CE2-CD1 3.82Å; F356-L360 HydrophobicContact CE2-CD2 4.48Å; F356-L360 HydrophobicContact CE2-CG 4.22Å; F356-L360 WeakPolarHBondContact O-CG 3.4Å; F356-L360 PolarHBondContact O-N 2.89Å; F356-L360 VanDerWaalsContact O-N 3.14Å; H357-L360 PolarHBondContact O-N 3.16Å; Q358-L360 VanDerWaalsContact C-N 3.34Å; Q358-L360 PolarHBondContact O-N 3.38Å; L360-L363 PolarHBondContact O-N 3.18Å; L360-F364 WeakPolarHBondContact O-CB 3.3Å; L360-F364 PolarHBondContact O-N 3.09Å
361L98Very high94.3Very high1 Ų118.7 Ų18.71%0.0059%0.094CC..Hα-helixtrans-66.1-41.5177.3-69.4173.7000111.1L338 H357 Q358 E359 F364 W365 I391 L407 M410 I414L338-L361 HydrophobicContact CD1-CD2 4.22Å; L338-L361 HydrophobicContact CD2-CD2 4.12Å; L338-L361 HydrophobicContact CD2-CG 4.26Å; H357-L361 VanDerWaalsContact O-CG 3.26Å; H357-L361 WeakPolarHBondContact O-CG 3.45Å; H357-L361 PolarHBondContact O-N 2.87Å; Q358-L361 PolarHBondContact O-N 3.5Å; E359-L361 PolarHBondContact O-N 3.36Å; L361-F364 PolarHBondContact O-N 3.34Å; L361-W365 WeakPolarHBondContact O-CB 3.38Å; L361-W365 PolarHBondContact O-N 3.49Å; L361-I391 HydrophobicContact CD2-CD1 4.3Å; L361-I391 HydrophobicContact CD2-CG1 3.7Å; L361-L407 HydrophobicContact CD1-CD1 3.51Å; L361-M410 HydrophobicContact CB-CG 3.84Å; L361-M410 WeakPolarHBondContact O-CE 3.44Å; L361-I414 HydrophobicContact CB-CD1 3.87Å; L361-I414 HydrophobicContact CD2-CD1 3.75Å; L361-I414 HydrophobicContact CG-CD1 4.35Å
362V96.5Very high94.8Very high4 Ų422.1 Ų22.12%0.02410%0.103CC..Hα-helixtrans-62.9-43.6174.1-176.40000110.5V287 Q358 E359 W365 K366 M410 Y737 L738V287-V362 HydrophobicContact CG1-CB 3.92Å; V287-V362 HydrophobicContact CG1-CG1 3.32Å; Q358-V362 WeakPolarHBondContact O-CG2 3.44Å; Q358-V362 PolarHBondContact O-N 3.41Å; Q358-V362 VanDerWaalsContact O-N 3.09Å; E359-V362 PolarHBondContact O-N 3.01Å; V362-W365 WeakPolarHBondContact O-CB 3.46Å; V362-W365 PolarHBondContact O-N 3.02Å; V362-K366 HydrophobicContact CG1-CG 4.5Å; V362-K366 WeakPolarHBondContact O-CG 3.32Å; V362-K366 PolarHBondContact O-N 3.43Å; V362-M410 HydrophobicContact CB-SD 4.29Å; V362-M410 HydrophobicContact CG2-SD 3.57Å; V362-M410 VanDerWaalsContact CG2-SD 3.57Å; V362-Y737 HydrophobicContact CG2-CD1 4.06Å; V362-Y737 HydrophobicContact CG2-CE1 3.72Å; V362-L738 HydrophobicContact CG1-CD1 4.47Å
363L98Very high95.2Very high1 Ų125.9 Ų25.91%0.00512%0.119CC..Hα-helixtrans-61.2-46.7176.2-17562.6000111.5I254 F255 L283 L286 V287 L290 F334 E359 L360 W365 K366 C367I254-L363 HydrophobicContact CD1-CD2 4.48Å; I254-L363 HydrophobicContact CG2-CD2 4.43Å; F255-L363 HydrophobicContact CE1-CD2 4.39Å; F255-L363 HydrophobicContact CZ-CD2 3.92Å; L283-L363 HydrophobicContact CD1-CB 3.94Å; L283-L363 HydrophobicContact CD1-CD2 3.5Å; L283-L363 HydrophobicContact CD1-CG 4.27Å; L286-L363 HydrophobicContact CD2-CD1 3.78Å; L286-L363 HydrophobicContact CD2-CD2 4.08Å; L286-L363 HydrophobicContact CG-CD1 3.99Å; V287-L363 HydrophobicContact CG2-CB 3.68Å; V287-L363 HydrophobicContact CG2-CD1 4.02Å; V287-L363 HydrophobicContact CG2-CG 4.36Å; L290-L363 HydrophobicContact CD1-CD1 3.68Å; F334-L363 HydrophobicContact CE1-CB 4.18Å; F334-L363 HydrophobicContact CE1-CD2 4.12Å; F334-L363 HydrophobicContact CE1-CG 4.15Å; F334-L363 HydrophobicContact CZ-CB 4.32Å; F334-L363 HydrophobicContact CZ-CD2 4.02Å; F334-L363 HydrophobicContact CZ-CG 3.88Å; E359-L363 PolarHBondContact O-N 3.43Å; L360-L363 PolarHBondContact O-N 3.18Å; L363-W365 VanDerWaalsContact C-N 3.3Å; L363-W365 PolarHBondContact O-N 3.47Å; L363-K366 PolarHBondContact O-N 3Å; L363-K366 VanDerWaalsContact O-N 3.14Å; L363-C367 PolarHBondContact O-N 2.91Å; L363-C367 PolarHBondContact O-SG 3.25Å
364F98Very high95.6Very high1 Ų120.2 Ų20.20%0.00410%0.095CC..Hα-helixtrans-57.9-44.3178.8178.6-104.4000111.8F334 L360 L361 C367 C368 F374 V378 M387 I414F334-F364 HydrophobicContact CD1-CB 4.11Å; F334-F364 HydrophobicContact CD1-CD2 4.37Å; F334-F364 AromaticContact CD2-CD2 3.96Å; F334-F364 HydrophobicContact CD2-CD2 3.96Å; F334-F364 HydrophobicContact CE1-CB 3.71Å; F334-F364 HydrophobicContact CE1-CD2 4.44Å; F334-F364 HydrophobicContact CE2-CD2 4.03Å; F334-F364 HydrophobicContact CG-CD2 4.14Å; F334-F364 HydrophobicContact CZ-CB 3.95Å; F334-F364 HydrophobicContact CZ-CD2 4.26Å; L360-F364 WeakPolarHBondContact O-CB 3.3Å; L360-F364 PolarHBondContact O-N 3.09Å; L361-F364 PolarHBondContact O-N 3.34Å; F364-C367 PolarHBondContact O-N 3.17Å; F364-C368 PolarHBondContact O-N 3.19Å; F364-C368 PolarHBondContact O-SG 3.25Å; F364-F374 HydrophobicContact CD2-CE1 4.29Å; F364-F374 HydrophobicContact CE2-CE1 4.1Å; F364-F374 HydrophobicContact CE2-CZ 4.36Å; F364-V378 HydrophobicContact CE2-CG2 4.21Å; F364-V378 HydrophobicContact CZ-CG1 4.16Å; F364-M387 HydrophobicContact CD1-CE 4.28Å; F364-M387 HydrophobicContact CD2-CE 3.59Å; F364-M387 HydrophobicContact CE1-CE 4.34Å; F364-M387 HydrophobicContact CE2-CE 3.67Å; F364-M387 HydrophobicContact CE2-CG 4.49Å; F364-M387 HydrophobicContact CG-CE 3.91Å; F364-M387 HydrophobicContact CZ-CE 4.05Å; F364-I414 HydrophobicContact CD1-CD1 4.2Å; F364-I414 HydrophobicContact CD1-CG1 4.35Å; F364-I414 HydrophobicContact CD1-CG2 3.83Å; F364-I414 HydrophobicContact CE1-CG2 3.6Å
365W95.8Very high95.7Very high0 Ų019.9 Ų19.90%09%0.093CC..Hα-helixtrans-56.9-52.3172.9170.5-86.1000111.9L361 V362 L363 C367 C368 D369 M410 F413 I414 L417 Y724 F734L361-W365 WeakPolarHBondContact O-CB 3.38Å; L361-W365 PolarHBondContact O-N 3.49Å; V362-W365 WeakPolarHBondContact O-CB 3.46Å; V362-W365 PolarHBondContact O-N 3.02Å; L363-W365 VanDerWaalsContact C-N 3.3Å; L363-W365 PolarHBondContact O-N 3.47Å; W365-C367 VanDerWaalsContact C-N 3.32Å; W365-C367 PolarHBondContact O-N 3.43Å; W365-C368 PolarHBondContact O-N 3.37Å; W365-C368 VanDerWaalsContact O-N 3.13Å; W365-D369 WeakPolarHBondContact O-CB 3.39Å; W365-D369 PolarHBondContact O-N 2.75Å; W365-M410 HydrophobicContact CB-CE 3.42Å; W365-M410 VanDerWaalsContact CB-CE 3.42Å; W365-M410 HydrophobicContact CD2-CE 4.27Å; W365-M410 HydrophobicContact CE3-CE 4.42Å; W365-M410 HydrophobicContact CG-CE 3.87Å; W365-F413 HydrophobicContact CE3-CB 4.34Å; W365-F413 HydrophobicContact CH2-CB 4.16Å; W365-F413 HydrophobicContact CZ3-CB 3.83Å; W365-F413 WeakPolarHBondContact CZ3-O 3.31Å; W365-I414 HydrophobicContact CB-CG1 4.18Å; W365-I414 HydrophobicContact CE3-CG1 3.95Å; W365-L417 HydrophobicContact CE3-CB 4.31Å; W365-L417 HydrophobicContact CE3-CD2 3.96Å; W365-L417 HydrophobicContact CH2-CB 4.2Å; W365-L417 HydrophobicContact CZ3-CB 3.59Å; W365-L417 HydrophobicContact CZ3-CD2 3.94Å; W365-L417 HydrophobicContact CZ3-CG 4.34Å; W365-Y724 AromaticContact CH2-CD1 3.88Å; W365-Y724 HydrophobicContact CH2-CD1 3.88Å; W365-Y724 HydrophobicContact CH2-CD2 4Å; W365-Y724 AromaticContact CH2-CE1 3.57Å; W365-Y724 HydrophobicContact CH2-CE1 3.57Å; W365-Y724 AromaticContact CH2-CE2 3.73Å; W365-Y724 HydrophobicContact CH2-CE2 3.73Å; W365-Y724 HydrophobicContact CH2-CG 4.08Å; W365-Y724 AromaticContact CH2-CZ 3.51Å; W365-Y724 HydrophobicContact CZ2-CD1 4.22Å; W365-Y724 AromaticContact CZ2-CE1 3.47Å; W365-Y724 HydrophobicContact CZ2-CE1 3.47Å; W365-Y724 VanDerWaalsContact CZ2-CE1 3.47Å; W365-Y724 AromaticContact CZ2-CE2 3.99Å; W365-Y724 HydrophobicContact CZ2-CE2 3.99Å; W365-Y724 AromaticContact CZ2-CZ 3.34Å; W365-Y724 WeakPolarHBondContact CZ2-OH 3.45Å; W365-F734 AromaticContact CD1-CZ 3.83Å; W365-F734 HydrophobicContact CD2-CE1 4.27Å; W365-F734 HydrophobicContact CD2-CE2 4.08Å; W365-F734 AromaticContact CD2-CZ 3.54Å; W365-F734 HydrophobicContact CD2-CZ 3.54Å; W365-F734 AromaticContact CE2-CE2 3.31Å; W365-F734 AromaticContact CE2-CZ 3.28Å; W365-F734 HydrophobicContact CE3-CZ 4.15Å; W365-F734 HydrophobicContact CG-CE1 4.19Å; W365-F734 HydrophobicContact CG-CE2 4.48Å; W365-F734 AromaticContact CG-CZ 3.89Å; W365-F734 HydrophobicContact CG-CZ 3.89Å; W365-F734 HydrophobicContact CH2-CE2 4.3Å; W365-F734 HydrophobicContact CH2-CZ 4.24Å; W365-F734 AromaticContact CZ2-CE2 3.43Å; W365-F734 HydrophobicContact CZ2-CE2 3.43Å; W365-F734 VanDerWaalsContact CZ2-CE2 3.43Å; W365-F734 AromaticContact CZ2-CZ 3.64Å; W365-F734 HydrophobicContact CZ2-CZ 3.64Å; W365-F734 HydrophobicContact CZ3-CZ 4.47Å; W365-F734 AromaticContact NE1-CD2 3.95Å; W365-F734 AromaticContact NE1-CE2 3.33Å; W365-F734 VanDerWaalsContact NE1-CE2 3.33Å; W365-F734 AromaticContact NE1-CZ 3.49Å
366K94.9Very high95.9Very high6 Ų624.4 Ų24.43%0.02610%0.103CC..Hα-helixtrans-61.5-39.3-179.2-69.4-64.8-170.1177.60112L290 V362 L363 D369 Y370L290-K366 HydrophobicContact CD1-CB 4.37Å; V362-K366 HydrophobicContact CG1-CG 4.5Å; V362-K366 WeakPolarHBondContact O-CG 3.32Å; V362-K366 PolarHBondContact O-N 3.43Å; L363-K366 PolarHBondContact O-N 3Å; L363-K366 VanDerWaalsContact O-N 3.14Å; K366-D369 PolarHBondContact O-N 3.34Å; K366-Y370 HydrophobicContact CB-CD2 4.17Å; K366-Y370 HydrophobicContact CB-CE2 4.17Å; K366-Y370 HydrophobicContact CD-CD2 4.36Å; K366-Y370 HydrophobicContact CD-CE2 3.64Å; K366-Y370 HydrophobicContact CG-CE2 4.38Å; K366-Y370 PolarHBondContact NZ-OH 3.06Å; K366-Y370 WeakPolarHBondContact O-CB 3.47Å; K366-Y370 VanDerWaalsContact O-CD2 3.31Å; K366-Y370 WeakPolarHBondContact O-CD2 3.22Å; K366-Y370 PolarHBondContact O-N 3.49Å
367C96.6Very high95.9Very high2 Ų225.7 Ų25.71%0.01411%0.109CC..Hα-helixtrans-60.3-44.6173.4-68.30000112M330 L363 F364 W365 N371 F374M330-C367 HydrophobicContact CE-CB 4.28Å; L363-C367 PolarHBondContact O-N 2.91Å; L363-C367 PolarHBondContact O-SG 3.25Å; F364-C367 PolarHBondContact O-N 3.17Å; W365-C367 VanDerWaalsContact C-N 3.32Å; W365-C367 PolarHBondContact O-N 3.43Å; C367-N371 WeakPolarHBondContact O-CA 3.39Å; C367-N371 WeakPolarHBondContact O-CB 3.33Å; C367-N371 PolarHBondContact O-N 2.95Å; C367-F374 HydrophobicContact CB-CD1 3.73Å; C367-F374 HydrophobicContact CB-CE1 3.69Å
368C95.2Very high95.9Very high0 Ų024 Ų240%010%0.101CC..Hα-helixtrans-71-34.9179-66.70000113.2F364 W365 L375 L417F364-C368 PolarHBondContact O-N 3.19Å; F364-C368 PolarHBondContact O-SG 3.25Å; W365-C368 PolarHBondContact O-N 3.37Å; W365-C368 VanDerWaalsContact O-N 3.13Å; C368-L375 HydrophobicContact CB-CB 4.27Å; C368-L375 HydrophobicContact CB-CD1 4.15Å; C368-L417 HydrophobicContact CB-CD2 3.52Å
369D91.4Very high95.9Very high17 Ų1722.2 Ų22.29%0.0919%0.093CC..Hα-helixtrans-73.9-50.3-178.6-166.226.6000111.4W365 K366 R372 S726W365-D369 WeakPolarHBondContact O-CB 3.39Å; W365-D369 PolarHBondContact O-N 2.75Å; K366-D369 PolarHBondContact O-N 3.34Å; D369-R372 IonicContact OD1-NH2 2.76Å; D369-S726 PolarHBondContact OD1-OG 2.82Å; D369-S726 PolarHBondContact OD2-OG 3.23Å
370Y93.5Very high95.5Very high51 Ų5128.6 Ų28.620%0.212%0.12CC..Hα-helixtrans-79.5-24.1-178.5-62.3-45.2000114L290 V315 L318 K366L290-Y370 HydrophobicContact CB-CE2 4.24Å; L290-Y370 WeakPolarHBondContact O-CE2 3.34Å; L290-Y370 PolarHBondContact O-OH 3.27Å; V315-Y370 HydrophobicContact CG1-CD1 3.86Å; V315-Y370 HydrophobicContact CG1-CD2 4.14Å; V315-Y370 HydrophobicContact CG1-CE1 4.11Å; V315-Y370 HydrophobicContact CG1-CE2 4.31Å; V315-Y370 HydrophobicContact CG1-CG 3.89Å; V315-Y370 HydrophobicContact CG2-CD2 4.34Å; V315-Y370 HydrophobicContact CG2-CE2 3.91Å; L318-Y370 HydrophobicContact CD2-CD2 4.04Å; K366-Y370 HydrophobicContact CB-CD2 4.17Å; K366-Y370 HydrophobicContact CB-CE2 4.17Å; K366-Y370 HydrophobicContact CD-CD2 4.36Å; K366-Y370 HydrophobicContact CD-CE2 3.64Å; K366-Y370 HydrophobicContact CG-CE2 4.38Å; K366-Y370 PolarHBondContact NZ-OH 3.06Å; K366-Y370 WeakPolarHBondContact O-CB 3.47Å; K366-Y370 VanDerWaalsContact O-CD2 3.31Å; K366-Y370 WeakPolarHBondContact O-CD2 3.22Å; K366-Y370 PolarHBondContact O-N 3.49Å
371N95.7Very high94.7Very high5 Ų530 Ų303%0.02713%0.13CC..  trans-123.891.4178.2-167.8-27.8000111.4L318 I321 C367 K373 F374 L375L318-N371 PolarHBondContact O-ND2 3.15Å; I321-N371 PolarHBondContact O-ND2 3Å; C367-N371 WeakPolarHBondContact O-CA 3.39Å; C367-N371 WeakPolarHBondContact O-CB 3.33Å; C367-N371 PolarHBondContact O-N 2.95Å; N371-K373 PolarHBondContact O-N 3.45Å; N371-K373 WeakPolarHBondContact OD1-CB 3.36Å; N371-K373 PolarHBondContact OD1-N 2.9Å; N371-F374 HydrophobicContact CB-CB 4Å; N371-F374 WeakPolarHBondContact O-CB 3.48Å; N371-F374 PolarHBondContact O-N 3.13Å; N371-F374 VanDerWaalsContact O-N 3.1Å; N371-F374 PolarHBondContact OD1-N 3.32Å; N371-L375 PolarHBondContact O-N 2.96Å; N371-L375 VanDerWaalsContact O-N 3.1Å
372R93.8Very high94.2Very high102 Ų10231.5 Ų31.539%0.38514%0.14SC..Hα-helixtrans-61-28.7177.5-63.6-63.1179.8163.9-2.3113.1D369 L375 Y376D369-R372 IonicContact OD1-NH2 2.76Å; R372-L375 WeakPolarHBondContact O-CB 3.49Å; R372-L375 PolarHBondContact O-N 3.24Å; R372-Y376 HydrophobicContact CB-CE2 4.21Å; R372-Y376 WeakPolarHBondContact O-CD2 3.49Å; R372-Y376 PolarHBondContact O-N 2.91Å
373K96Very high93.8Very high125 Ų12533.7 Ų33.754%0.54315%0.152SC..Hα-helixtrans-67.2-40.8175.7-60.4176.4-177.7172.90111H322 F327 N371 Y376 H377H322-K373 HydrophobicContact CB-CD 4.16Å; F327-K373 HydrophobicContact CE2-CB 3.8Å; F327-K373 HydrophobicContact CZ-CB 3.71Å; N371-K373 PolarHBondContact O-N 3.45Å; N371-K373 WeakPolarHBondContact OD1-CB 3.36Å; N371-K373 PolarHBondContact OD1-N 2.9Å; K373-Y376 PolarHBondContact O-N 3.07Å; K373-H377 WeakPolarHBondContact O-CB 3.37Å; K373-H377 PolarHBondContact O-N 2.93Å
374F96.9Very high93.7Very high1 Ų133.6 Ų33.60%0.00415%0.152CC..Hα-helixtrans-61.1-47.1171.9177.9-108.9000111.1F327 M330 F334 F364 C367 N371 Y376 H377 V378F327-F374 HydrophobicContact CB-CD2 4.13Å; F327-F374 HydrophobicContact CD1-CB 3.97Å; F327-F374 AromaticContact CD1-CD2 3.61Å; F327-F374 HydrophobicContact CD1-CD2 3.61Å; F327-F374 HydrophobicContact CD1-CG 4.26Å; F327-F374 HydrophobicContact CE1-CB 3.68Å; F327-F374 HydrophobicContact CE1-CD2 4.21Å; F327-F374 HydrophobicContact CE1-CG 4.42Å; F327-F374 HydrophobicContact CG-CD2 4.02Å; F327-F374 HydrophobicContact CZ-CB 4.11Å; M330-F374 HydrophobicContact CB-CE2 3.9Å; M330-F374 HydrophobicContact CB-CZ 4.41Å; M330-F374 HydrophobicContact CE-CD2 4.43Å; M330-F374 HydrophobicContact CE-CE2 4.32Å; M330-F374 HydrophobicContact SD-CD2 4.47Å; M330-F374 HydrophobicContact SD-CE2 4.49Å; F334-F374 HydrophobicContact CD2-CZ 4.2Å; F334-F374 HydrophobicContact CE2-CE1 4.43Å; F334-F374 HydrophobicContact CE2-CZ 4.05Å; F364-F374 HydrophobicContact CD2-CE1 4.29Å; F364-F374 HydrophobicContact CE2-CE1 4.1Å; F364-F374 HydrophobicContact CE2-CZ 4.36Å; C367-F374 HydrophobicContact CB-CD1 3.73Å; C367-F374 HydrophobicContact CB-CE1 3.69Å; N371-F374 HydrophobicContact CB-CB 4Å; N371-F374 WeakPolarHBondContact O-CB 3.48Å; N371-F374 PolarHBondContact O-N 3.13Å; N371-F374 VanDerWaalsContact O-N 3.1Å; N371-F374 PolarHBondContact OD1-N 3.32Å; F374-Y376 VanDerWaalsContact C-N 3.32Å; F374-Y376 PolarHBondContact O-N 2.73Å; F374-H377 WeakPolarHBondContact O-CA 3.42Å; F374-H377 WeakPolarHBondContact O-CB 3.39Å; F374-H377 PolarHBondContact O-N 3.16Å; F374-V378 HydrophobicContact CD1-CG2 4.22Å; F374-V378 HydrophobicContact CD2-CG2 4.39Å; F374-V378 HydrophobicContact CE1-CG2 3.79Å; F374-V378 HydrophobicContact CE2-CG2 3.99Å; F374-V378 HydrophobicContact CZ-CG2 3.67Å; F374-V378 WeakPolarHBondContact O-CG2 3.36Å; F374-V378 PolarHBondContact O-N 2.75Å
375L95.4Very high93.6Very high1 Ų133.7 Ų33.71%0.00515%0.152CC..Hα-helixtrans-54.3-46.9174.4174.161.8000111.8C368 N371 R372 H377 V378 L379 L417 L418C368-L375 HydrophobicContact CB-CB 4.27Å; C368-L375 HydrophobicContact CB-CD1 4.15Å; N371-L375 PolarHBondContact O-N 2.96Å; N371-L375 VanDerWaalsContact O-N 3.1Å; R372-L375 WeakPolarHBondContact O-CB 3.49Å; R372-L375 PolarHBondContact O-N 3.24Å; L375-H377 VanDerWaalsContact C-N 3.34Å; L375-H377 PolarHBondContact O-N 3.45Å; L375-V378 PolarHBondContact O-N 2.81Å; L375-L379 HydrophobicContact CD1-CD1 3.8Å; L375-L379 HydrophobicContact CD1-CG 4.3Å; L375-L379 HydrophobicContact CG-CD1 3.95Å; L375-L379 WeakPolarHBondContact O-CB 3.41Å; L375-L379 WeakPolarHBondContact O-CD1 3.46Å; L375-L379 VanDerWaalsContact O-CG 3.24Å; L375-L379 WeakPolarHBondContact O-CG 3.49Å; L375-L379 PolarHBondContact O-N 3.17Å; L375-L379 VanDerWaalsContact O-N 3.1Å; L375-L417 HydrophobicContact CD2-CD1 4.31Å; L375-L418 HydrophobicContact CD1-CD2 3.8Å
376Y95.1Very high93.4Very high120 Ų12037.4 Ų37.447%0.47117%0.172SC..Hα-helixtrans-64.5-36.3176.2-69-52.7000112.9R372 K373 F374 L379 K380R372-Y376 HydrophobicContact CB-CE2 4.21Å; R372-Y376 WeakPolarHBondContact O-CD2 3.49Å; R372-Y376 PolarHBondContact O-N 2.91Å; K373-Y376 PolarHBondContact O-N 3.07Å; F374-Y376 VanDerWaalsContact C-N 3.32Å; F374-Y376 PolarHBondContact O-N 2.73Å; Y376-L379 PolarHBondContact O-N 3.3Å; Y376-K380 WeakPolarHBondContact O-CB 3.2Å; Y376-K380 PolarHBondContact O-N 3.31Å
377H96Very high93.5Very high29 Ų2937.1 Ų37.113%0.13417%0.171CC..Hα-helixtrans-63.3-49175.4-177.4102.3000111.2D324 F327 K373 F374 L375 L379 K380D324-H377 PolarHBondContact O-CE1 2.82Å; D324-H377 IonicContact OD1-CE1 3.14Å; D324-H377 IonicContact OD1-ND1 3.67Å; D324-H377 PolarHBondContact OD1-ND1 3.12Å; F327-H377 HydrophobicContact CB-CB 4.15Å; F327-H377 HydrophobicContact CD2-CB 3.77Å; F327-H377 AromaticContact CD2-CG 3.9Å; F327-H377 AromaticContact CD2-ND1 3.89Å; F327-H377 HydrophobicContact CE2-CB 4.48Å; F327-H377 HydrophobicContact CG-CB 4.22Å; K373-H377 WeakPolarHBondContact O-CB 3.37Å; K373-H377 PolarHBondContact O-N 2.93Å; F374-H377 WeakPolarHBondContact O-CA 3.42Å; F374-H377 WeakPolarHBondContact O-CB 3.39Å; F374-H377 PolarHBondContact O-N 3.16Å; L375-H377 VanDerWaalsContact C-N 3.34Å; L375-H377 PolarHBondContact O-N 3.45Å; H377-L379 PolarHBondContact O-N 3.01Å; H377-K380 WeakPolarHBondContact O-CB 3.45Å; H377-K380 PolarHBondContact O-N 3.07Å
378V96.3Very high93.5Very high0 Ų037 Ų370%017%0.17CC..Hα-helixtrans-53.1-43.4174.4173.20000110.9L331 F364 F374 L375 K380 V384L331-V378 HydrophobicContact CD1-CG2 4.13Å; L331-V378 HydrophobicContact CD2-CG2 4.32Å; F364-V378 HydrophobicContact CE2-CG2 4.21Å; F364-V378 HydrophobicContact CZ-CG1 4.16Å; F374-V378 HydrophobicContact CD1-CG2 4.22Å; F374-V378 HydrophobicContact CD2-CG2 4.39Å; F374-V378 HydrophobicContact CE1-CG2 3.79Å; F374-V378 HydrophobicContact CE2-CG2 3.99Å; F374-V378 HydrophobicContact CZ-CG2 3.67Å; F374-V378 WeakPolarHBondContact O-CG2 3.36Å; F374-V378 PolarHBondContact O-N 2.75Å; L375-V378 PolarHBondContact O-N 2.81Å; V378-K380 VanDerWaalsContact C-N 3.35Å; V378-V384 HydrophobicContact CG1-CB 4.07Å; V378-V384 HydrophobicContact CG1-CG2 4.03Å; V378-V384 WeakPolarHBondContact O-CB 3.4Å
379L95.3Very high93.5Very high1 Ų137.3 Ų37.31%0.00517%0.172CC..Hα-helixtrans-77.7-16.6-178.6-67.8167.1000114.1L375 Y376 H377 V384 L418 E421 N423 F424L375-L379 HydrophobicContact CD1-CD1 3.8Å; L375-L379 HydrophobicContact CD1-CG 4.3Å; L375-L379 HydrophobicContact CG-CD1 3.95Å; L375-L379 WeakPolarHBondContact O-CB 3.41Å; L375-L379 WeakPolarHBondContact O-CD1 3.46Å; L375-L379 VanDerWaalsContact O-CG 3.24Å; L375-L379 WeakPolarHBondContact O-CG 3.49Å; L375-L379 PolarHBondContact O-N 3.17Å; L375-L379 VanDerWaalsContact O-N 3.1Å; Y376-L379 PolarHBondContact O-N 3.3Å; H377-L379 PolarHBondContact O-N 3.01Å; L379-V384 HydrophobicContact CD2-CG2 4.32Å; L379-L418 HydrophobicContact CD2-CD2 4.15Å; L379-E421 HydrophobicContact CD1-CB 3.46Å; L379-E421 VanDerWaalsContact CD1-CB 3.46Å; L379-E421 HydrophobicContact CD1-CG 3.48Å; L379-E421 VanDerWaalsContact CD1-CG 3.48Å; L379-E421 HydrophobicContact CD2-CB 4.46Å; L379-N423 HydrophobicContact CB-CB 4.19Å; L379-N423 WeakPolarHBondContact O-CB 3.35Å; L379-F424 HydrophobicContact CD2-CB 3.74Å; L379-F424 HydrophobicContact CD2-CD2 4.39Å
380K89.5Confident93.7Very high134 Ų13436.5 Ų36.558%0.58317%0.168SC*.Hα-helixtrans-74.5-38.5-178.7-175.2-177.4176.3-171.80111.1Y376 H377 V378 R427Y376-K380 WeakPolarHBondContact O-CB 3.2Å; Y376-K380 PolarHBondContact O-N 3.31Å; H377-K380 WeakPolarHBondContact O-CB 3.45Å; H377-K380 PolarHBondContact O-N 3.07Å; V378-K380 VanDerWaalsContact C-N 3.35Å; K380-R427 PolarHBondContact O-NH2 3.14Å
381S81.9Confident93.9Very high28 Ų2834.2 Ų34.220%0.19616%0.159CC..SBendtrans-91.5176.5-178.672.10000112.5D383 R427S381-D383 WeakPolarHBondContact CB-OD2 3.49Å; S381-D383 VanDerWaalsContact OG-CB 3.28Å; S381-D383 WeakPolarHBondContact OG-CB 3.38Å; S381-D383 PolarHBondContact OG-N 3.06Å; S381-D383 PolarHBondContact OG-OD2 2.76Å; S381-R427 PolarHBondContact O-NE 3.15Å
382S85.8Confident94Very high33 Ų3334 Ų3423%0.23116%0.157CC..SBendtrans-80.9-3.3168.758.20000113.2V384 L385S382-V384 PolarHBondContact O-N 3.25Å; S382-L385 VanDerWaalsContact O-CB 3.29Å; S382-L385 WeakPolarHBondContact O-CB 3.31Å; S382-L385 WeakPolarHBondContact O-CG 3.41Å; S382-L385 PolarHBondContact O-N 3.46Å
383D89Confident94.2Very high50 Ų5031.6 Ų31.627%0.26715%0.149SC..THydrogen-bonded Turntrans-73.9-16.6-171.2-40-26.7000111L331 S381 L385 D386 M387L331-D383 HydrophobicContact CD2-CB 3.92Å; L331-D383 HydrophobicContact CG-CB 4.39Å; S381-D383 WeakPolarHBondContact CB-OD2 3.49Å; S381-D383 VanDerWaalsContact OG-CB 3.28Å; S381-D383 WeakPolarHBondContact OG-CB 3.38Å; S381-D383 PolarHBondContact OG-N 3.06Å; S381-D383 PolarHBondContact OG-OD2 2.76Å; D383-L385 PolarHBondContact O-N 3.14Å; D383-L385 VanDerWaalsContact O-N 3.09Å; D383-D386 WeakPolarHBondContact O-CA 3.42Å; D383-D386 WeakPolarHBondContact O-CB 3.43Å; D383-D386 PolarHBondContact O-N 3.4Å; D383-M387 PolarHBondContact O-N 3.17Å; D383-M387 VanDerWaalsContact O-N 3.15Å
384V95.2Very high94.2Very high0 Ų026.3 Ų26.30%013%0.126CC..Hα-helixtrans-52.5-28.6164.667.10000112.4V378 L379 S382 M387 L388 L418 F424 R427V378-V384 HydrophobicContact CG1-CB 4.07Å; V378-V384 HydrophobicContact CG1-CG2 4.03Å; V378-V384 WeakPolarHBondContact O-CB 3.4Å; L379-V384 HydrophobicContact CD2-CG2 4.32Å; S382-V384 PolarHBondContact O-N 3.25Å; V384-M387 WeakPolarHBondContact O-CB 3.38Å; V384-M387 PolarHBondContact O-N 3.48Å; V384-L388 WeakPolarHBondContact O-CB 3.36Å; V384-L388 PolarHBondContact O-N 3.35Å; V384-L418 HydrophobicContact CG2-CD1 4.19Å; V384-F424 HydrophobicContact CG2-CD2 3.86Å; V384-F424 HydrophobicContact CG2-CE2 4.11Å; V384-R427 HydrophobicContact CG1-CB 4.12Å; V384-R427 HydrophobicContact CG1-CG 4.2Å
385L95.5Very high94.2Very high2 Ų226.3 Ų26.31%0.0113%0.126CC..Hα-helixtrans-74.4-34.3176.7-58.6175.8000111.8S382 D383 M387 L388 V389 R427 L428 K430 H447S382-L385 VanDerWaalsContact O-CB 3.29Å; S382-L385 WeakPolarHBondContact O-CB 3.31Å; S382-L385 WeakPolarHBondContact O-CG 3.41Å; S382-L385 PolarHBondContact O-N 3.46Å; D383-L385 PolarHBondContact O-N 3.14Å; D383-L385 VanDerWaalsContact O-N 3.09Å; L385-M387 PolarHBondContact O-N 3.35Å; L385-L388 HydrophobicContact CD2-CD2 4.28Å; L385-L388 PolarHBondContact O-N 3.5Å; L385-L388 VanDerWaalsContact O-N 3.16Å; L385-V389 WeakPolarHBondContact O-CG2 3.29Å; L385-V389 PolarHBondContact O-N 2.72Å; L385-R427 HydrophobicContact CD2-CB 4.47Å; L385-L428 HydrophobicContact CD2-CD2 4.27Å; L385-K430 HydrophobicContact CD1-CB 3.61Å; L385-K430 HydrophobicContact CD1-CD 3.45Å; L385-K430 VanDerWaalsContact CD1-CD 3.45Å; L385-K430 HydrophobicContact CD1-CG 4.13Å; L385-H447 HydrophobicContact CD2-CB 3.95Å
386D93.3Very high94.2Very high78 Ų7826.5 Ų26.542%0.41713%0.126SC..Hα-helixtrans-69.6-21174.4-60.5-37.2000111.8N339 D383 P390N339-D386 PolarHBondContact ND2-O 3.32Å; D383-D386 WeakPolarHBondContact O-CA 3.42Å; D383-D386 WeakPolarHBondContact O-CB 3.43Å; D383-D386 PolarHBondContact O-N 3.4Å; D386-P390 WeakPolarHBondContact O-CD 3.35Å; D386-P390 VanDerWaalsContact O-CG 3.3Å; D386-P390 WeakPolarHBondContact O-CG 3.03Å
387M95.3Very high94.2Very high0 Ų024.7 Ų24.70%013%0.125CC..Hα-helixtrans-83.3-39.7167.2-66.7-60.3-57.600112.7L331 F334 L338 F364 D383 V384 L385 P390 I391L331-M387 HydrophobicContact CD1-CG 3.71Å; L331-M387 HydrophobicContact CD1-SD 4.12Å; F334-M387 HydrophobicContact CB-CE 3.84Å; F334-M387 HydrophobicContact CB-SD 3.67Å; F334-M387 HydrophobicContact CG-CE 4.39Å; L338-M387 HydrophobicContact CD1-CE 3.27Å; L338-M387 HydrophobicContact CD1-SD 4.08Å; F364-M387 HydrophobicContact CD1-CE 4.28Å; F364-M387 HydrophobicContact CD2-CE 3.59Å; F364-M387 HydrophobicContact CE1-CE 4.34Å; F364-M387 HydrophobicContact CE2-CE 3.67Å; F364-M387 HydrophobicContact CE2-CG 4.49Å; F364-M387 HydrophobicContact CG-CE 3.91Å; F364-M387 HydrophobicContact CZ-CE 4.05Å; D383-M387 PolarHBondContact O-N 3.17Å; D383-M387 VanDerWaalsContact O-N 3.15Å; V384-M387 WeakPolarHBondContact O-CB 3.38Å; V384-M387 PolarHBondContact O-N 3.48Å; L385-M387 PolarHBondContact O-N 3.35Å; M387-P390 WeakPolarHBondContact O-CD 3.47Å; M387-P390 VanDerWaalsContact O-CG 3.3Å; M387-P390 WeakPolarHBondContact O-CG 3.44Å; M387-I391 WeakPolarHBondContact O-CD1 3.38Å; M387-I391 VanDerWaalsContact O-CG1 3.27Å; M387-I391 WeakPolarHBondContact O-CG1 3.48Å; M387-I391 PolarHBondContact O-N 3.11Å
388L96.9Very high94.1Very high0 Ų023.3 Ų23.30%012%0.119CC..Hα-helixtrans-65.5-44.5-177.7176.364000112.5V384 L385 I391 L392 I415 F424 L428 H447V384-L388 WeakPolarHBondContact O-CB 3.36Å; V384-L388 PolarHBondContact O-N 3.35Å; L385-L388 HydrophobicContact CD2-CD2 4.28Å; L385-L388 PolarHBondContact O-N 3.5Å; L385-L388 VanDerWaalsContact O-N 3.16Å; L388-I391 WeakPolarHBondContact O-CB 3.33Å; L388-I391 PolarHBondContact O-N 2.83Å; L388-L392 HydrophobicContact CD1-CD1 3.89Å; L388-L392 HydrophobicContact CD1-CD2 4.24Å; L388-L392 HydrophobicContact CD1-CG 3.78Å; L388-L392 HydrophobicContact CD2-CD1 4.15Å; L388-L392 HydrophobicContact CG-CD1 3.75Å; L388-L392 HydrophobicContact CG-CG 4.05Å; L388-L392 WeakPolarHBondContact O-CG 3.34Å; L388-L392 PolarHBondContact O-N 3.32Å; L388-I415 HydrophobicContact CD1-CD1 4.07Å; L388-I415 HydrophobicContact CD1-CG1 4.1Å; L388-F424 HydrophobicContact CD1-CZ 4.18Å; L388-F424 HydrophobicContact CD2-CE2 4.33Å; L388-F424 HydrophobicContact CD2-CZ 4.26Å; L388-L428 HydrophobicContact CD2-CD2 3.33Å; L388-H447 HydrophobicContact CD2-CB 4.4Å
389V96Very high93.9Very high7 Ų724.9 Ų24.94%0.04213%0.125CC..Hα-helixtrans-57.6-50.2-176.4171.70000112.8L385 I391 L392 Y393 Y432 V436L385-V389 WeakPolarHBondContact O-CG2 3.29Å; L385-V389 PolarHBondContact O-N 2.72Å; V389-I391 VanDerWaalsContact C-N 3.32Å; V389-I391 PolarHBondContact O-N 2.99Å; V389-L392 PolarHBondContact O-N 2.92Å; V389-Y393 PolarHBondContact O-N 3.34Å; V389-Y432 HydrophobicContact CG1-CE2 4.39Å; V389-Y432 HydrophobicContact CG2-CD2 4.39Å; V389-Y432 HydrophobicContact CG2-CE2 3.87Å; V389-V436 HydrophobicContact CG1-CB 4.46Å; V389-V436 HydrophobicContact CG1-CG2 3.76Å
390P96.3Very high93.7Very high0 Ų029.8 Ų29.80%015%0.151CC..Hα-helixtrans-64.4-35.3176.622.4-32.2000112.9L338 L342 D386 M387 Y393 Y394L338-P390 HydrophobicContact CB-CB 4.07Å; L338-P390 HydrophobicContact CB-CG 3.98Å; L342-P390 HydrophobicContact CD1-CB 3.62Å; D386-P390 WeakPolarHBondContact O-CD 3.35Å; D386-P390 VanDerWaalsContact O-CG 3.3Å; D386-P390 WeakPolarHBondContact O-CG 3.03Å; M387-P390 WeakPolarHBondContact O-CD 3.47Å; M387-P390 VanDerWaalsContact O-CG 3.3Å; M387-P390 WeakPolarHBondContact O-CG 3.44Å; P390-Y393 WeakPolarHBondContact O-CB 3.27Å; P390-Y393 PolarHBondContact O-N 3.25Å; P390-Y394 HydrophobicContact CB-CE2 4.31Å; P390-Y394 WeakPolarHBondContact O-CD2 3.3Å; P390-Y394 PolarHBondContact O-N 3.03Å
391I97.9Very high93.7Very high2 Ų225.8 Ų25.81%0.0114%0.136CC..Hα-helixtrans-59.9-52173.7-64166.9000109.9L361 M387 L388 V389 Y393 Y394 L395 I414 I415L361-I391 HydrophobicContact CD2-CD1 4.3Å; L361-I391 HydrophobicContact CD2-CG1 3.7Å; M387-I391 WeakPolarHBondContact O-CD1 3.38Å; M387-I391 VanDerWaalsContact O-CG1 3.27Å; M387-I391 WeakPolarHBondContact O-CG1 3.48Å; M387-I391 PolarHBondContact O-N 3.11Å; L388-I391 WeakPolarHBondContact O-CB 3.33Å; L388-I391 PolarHBondContact O-N 2.83Å; V389-I391 VanDerWaalsContact C-N 3.32Å; V389-I391 PolarHBondContact O-N 2.99Å; I391-Y393 VanDerWaalsContact C-N 3.28Å; I391-Y393 PolarHBondContact O-N 3.19Å; I391-Y394 PolarHBondContact O-N 3.32Å; I391-L395 HydrophobicContact CG2-CD1 4.28Å; I391-L395 HydrophobicContact CG2-CG 4.32Å; I391-L395 VanDerWaalsContact O-CG 3.3Å; I391-L395 WeakPolarHBondContact O-CG 3.5Å; I391-L395 PolarHBondContact O-N 2.83Å; I391-I414 HydrophobicContact CD1-CB 4.42Å; I391-I414 HydrophobicContact CD1-CD1 4.44Å; I391-I414 HydrophobicContact CD1-CG2 3.69Å; I391-I415 HydrophobicContact CG2-CD1 3.88Å; I391-I415 HydrophobicContact CG2-CG1 4.11Å
392L97.7Very high93.9Very high0 Ų029.3 Ų29.30%015%0.149CC..Hα-helixtrans-61.5-36.1179.2-69.3179.6000112.5L388 V389 L395 N396 I415 L450 L451 V454 F455L388-L392 HydrophobicContact CD1-CD1 3.89Å; L388-L392 HydrophobicContact CD1-CD2 4.24Å; L388-L392 HydrophobicContact CD1-CG 3.78Å; L388-L392 HydrophobicContact CD2-CD1 4.15Å; L388-L392 HydrophobicContact CG-CD1 3.75Å; L388-L392 HydrophobicContact CG-CG 4.05Å; L388-L392 WeakPolarHBondContact O-CG 3.34Å; L388-L392 PolarHBondContact O-N 3.32Å; V389-L392 PolarHBondContact O-N 2.92Å; L392-L395 HydrophobicContact CD2-CD1 4.29Å; L392-L395 PolarHBondContact O-N 2.99Å; L392-N396 WeakPolarHBondContact O-CB 3.35Å; L392-N396 PolarHBondContact O-N 3.19Å; L392-I415 HydrophobicContact CD2-CD1 3.82Å; L392-L450 HydrophobicContact CD1-CB 4.4Å; L392-L450 HydrophobicContact CD1-CD2 3.87Å; L392-L450 HydrophobicContact CD1-CG 3.87Å; L392-L451 HydrophobicContact CD1-CB 4.11Å; L392-L451 HydrophobicContact CD2-CB 4.49Å; L392-L451 HydrophobicContact CD2-CG 4.41Å; L392-V454 HydrophobicContact CB-CG2 4.38Å; L392-V454 HydrophobicContact CD2-CB 4.29Å; L392-V454 HydrophobicContact CD2-CG1 4.18Å; L392-F455 HydrophobicContact CD2-CE1 4.15Å
393Y96.3Very high93.9Very high53 Ų5330.6 Ų30.621%0.20816%0.156CC..Hα-helixtrans-59.1-53172.4173.7-90.2000111.4L342 V389 P390 I391 L395 N396 D397 V436 M438L342-Y393 HydrophobicContact CD1-CD1 4.29Å; L342-Y393 HydrophobicContact CD1-CG 4.13Å; L342-Y393 HydrophobicContact CD2-CD1 3.2Å; L342-Y393 HydrophobicContact CD2-CD2 4.02Å; L342-Y393 HydrophobicContact CD2-CE1 3.23Å; L342-Y393 HydrophobicContact CD2-CE2 4.05Å; L342-Y393 HydrophobicContact CD2-CG 3.6Å; L342-Y393 HydrophobicContact CG-CD1 4.39Å; V389-Y393 PolarHBondContact O-N 3.34Å; P390-Y393 WeakPolarHBondContact O-CB 3.27Å; P390-Y393 PolarHBondContact O-N 3.25Å; I391-Y393 VanDerWaalsContact C-N 3.28Å; I391-Y393 PolarHBondContact O-N 3.19Å; Y393-L395 VanDerWaalsContact C-N 3.32Å; Y393-L395 PolarHBondContact O-N 3.39Å; Y393-N396 PolarHBondContact O-N 3.45Å; Y393-N396 VanDerWaalsContact O-N 3.15Å; Y393-D397 HydrophobicContact CE1-CB 4.47Å; Y393-D397 WeakPolarHBondContact O-CB 3.42Å; Y393-D397 PolarHBondContact O-N 3.39Å; Y393-V436 HydrophobicContact CD2-CG1 3.56Å; Y393-V436 HydrophobicContact CE2-CG1 4.15Å; Y393-V436 HydrophobicContact CG-CG1 4.23Å; Y393-M438 HydrophobicContact CD2-CG 4.38Å
394Y96.4Very high94Very high14 Ų1431.7 Ų31.76%0.05516%0.158CC..Hα-helixtrans-63.9-37.1-179.3-70.2-55.4000112.1L338 H357 P390 I391 S398L338-Y394 HydrophobicContact CD2-CE2 4.46Å; H357-Y394 HydrophobicContact CB-CE1 4.38Å; H357-Y394 HydrophobicContact CB-CE2 3.9Å; H357-Y394 AromaticContact CD2-CD1 3.83Å; H357-Y394 AromaticContact CD2-CE1 3.72Å; H357-Y394 AromaticContact CD2-CZ 3.9Å; H357-Y394 AromaticContact CG-CE1 3.87Å; H357-Y394 AromaticContact CG-CZ 3.75Å; P390-Y394 HydrophobicContact CB-CE2 4.31Å; P390-Y394 WeakPolarHBondContact O-CD2 3.3Å; P390-Y394 PolarHBondContact O-N 3.03Å; I391-Y394 PolarHBondContact O-N 3.32Å; Y394-S398 VanDerWaalsContact O-CB 3.3Å; Y394-S398 WeakPolarHBondContact O-CB 3.39Å; Y394-S398 PolarHBondContact O-N 3.36Å; Y394-S398 PolarHBondContact O-OG 3.03Å
395L96.9Very high93.8Very high1 Ų132.1 Ų32.11%0.00516%0.161CC..Hα-helixtrans-59.9-46.9172.5-68.3-173.1000111.5I391 L392 Y393 S398 R399 V408 V412 I415 V454 F455 L458I391-L395 HydrophobicContact CG2-CD1 4.28Å; I391-L395 HydrophobicContact CG2-CG 4.32Å; I391-L395 VanDerWaalsContact O-CG 3.3Å; I391-L395 WeakPolarHBondContact O-CG 3.5Å; I391-L395 PolarHBondContact O-N 2.83Å; L392-L395 HydrophobicContact CD2-CD1 4.29Å; L392-L395 PolarHBondContact O-N 2.99Å; Y393-L395 VanDerWaalsContact C-N 3.32Å; Y393-L395 PolarHBondContact O-N 3.39Å; L395-S398 PolarHBondContact O-OG 2.85Å; L395-R399 PolarHBondContact O-N 2.63Å; L395-V408 HydrophobicContact CD2-CB 4.31Å; L395-V408 HydrophobicContact CD2-CG1 4.06Å; L395-V408 VanDerWaalsContact CD2-O 3.25Å; L395-V408 WeakPolarHBondContact CD2-O 3.31Å; L395-V412 HydrophobicContact CD1-CG2 4.13Å; L395-V412 HydrophobicContact CD2-CG2 4.23Å; L395-I415 HydrophobicContact CD1-CD1 3.79Å; L395-V454 HydrophobicContact CB-CG1 4.09Å; L395-F455 HydrophobicContact CD1-CE1 4.19Å; L395-L458 HydrophobicContact CB-CD1 4.28Å; L395-L458 HydrophobicContact CD1-CD1 4.3Å; L395-L458 WeakPolarHBondContact O-CD2 3.28Å
396N95.9Very high93.6Very high4 Ų432.2 Ų32.22%0.02116%0.162CC..Hα-helixtrans-68.6-41.7-179.1-174.459.6000112.4L392 Y393 R399 M438 D439 V454L392-N396 WeakPolarHBondContact O-CB 3.35Å; L392-N396 PolarHBondContact O-N 3.19Å; Y393-N396 PolarHBondContact O-N 3.45Å; Y393-N396 VanDerWaalsContact O-N 3.15Å; N396-R399 VanDerWaalsContact O-CD 3.29Å; N396-R399 WeakPolarHBondContact O-CD 3.26Å; N396-R399 VanDerWaalsContact O-CG 3.23Å; N396-R399 WeakPolarHBondContact O-CG 3.42Å; N396-R399 PolarHBondContact O-NH1 3.42Å; N396-R399 PolarHBondContact OD1-NH1 3.3Å; N396-M438 HydrophobicContact CB-CG 4.14Å; N396-M438 HydrophobicContact CB-SD 4.12Å; N396-M438 WeakPolarHBondContact ND2-CG 3.4Å; N396-D439 PolarHBondContact ND2-O 2.98Å; N396-D439 PolarHBondContact OD1-O 3.41Å; N396-V454 HydrophobicContact CB-CG1 4.16Å; N396-V454 HydrophobicContact CB-CG2 4.26Å
397D94.5Very high93.7Very high82 Ų8228.7 Ų28.744%0.43914%0.143SC..Hα-helixtrans-63.5-42.5178.3-175.667.9000111.8Y393 R399 K404Y393-D397 HydrophobicContact CE1-CB 4.47Å; Y393-D397 WeakPolarHBondContact O-CB 3.42Å; Y393-D397 PolarHBondContact O-N 3.39Å; D397-R399 PolarHBondContact O-N 3.45Å; D397-K404 IonicContact OD2-NZ 3.86Å; D397-K404 PolarHBondContact OD2-NZ 3.38Å
398S93.4Very high93.7Very high0 Ų028.7 Ų28.70%014%0.143CC..Hα-helixtrans-82.7-6.3-176.358.60000115.4Y394 L395 N400 D401 V408Y394-S398 VanDerWaalsContact O-CB 3.3Å; Y394-S398 WeakPolarHBondContact O-CB 3.39Å; Y394-S398 PolarHBondContact O-N 3.36Å; Y394-S398 PolarHBondContact O-OG 3.03Å; L395-S398 PolarHBondContact O-OG 2.85Å; S398-N400 VanDerWaalsContact C-N 3.27Å; S398-N400 PolarHBondContact O-N 2.98Å; S398-N400 VanDerWaalsContact O-N 3.11Å; S398-D401 PolarHBondContact O-N 2.94Å; S398-V408 WeakPolarHBondContact OG-CG2 3.35Å
399R93.3Very high93.6Very high34 Ų3428.9 Ų28.913%0.12814%0.144CC..THydrogen-bonded Turntrans-55-36.4-17173.9-171.5-174.3-89.4-1115L395 N396 D397 D439 L458 N463L395-R399 PolarHBondContact O-N 2.63Å; N396-R399 VanDerWaalsContact O-CD 3.29Å; N396-R399 WeakPolarHBondContact O-CD 3.26Å; N396-R399 VanDerWaalsContact O-CG 3.23Å; N396-R399 WeakPolarHBondContact O-CG 3.42Å; N396-R399 PolarHBondContact O-NH1 3.42Å; N396-R399 PolarHBondContact OD1-NH1 3.3Å; D397-R399 PolarHBondContact O-N 3.45Å; R399-D439 IonicContact CZ-OD2 2.68Å; R399-D439 IonicContact NH1-OD2 3.66Å; R399-D439 PolarHBondContact NH1-OD2 2.85Å; R399-D439 IonicContact NH2-OD2 3.23Å; R399-D439 PolarHBondContact NH2-OD2 2.81Å; R399-L458 HydrophobicContact CB-CD2 3.69Å; R399-N463 PolarHBondContact O-ND2 3.03Å
400N90.5Very high93.5Very high104 Ų10428.5 Ų28.556%0.55614%0.142SC*.THydrogen-bonded Turntrans-95.8-6.5-177.7-70.8-24.8000112.8S398S398-N400 VanDerWaalsContact C-N 3.27Å; S398-N400 PolarHBondContact O-N 2.98Å; S398-N400 VanDerWaalsContact O-N 3.11Å
401D89.4Confident93.6Very high50 Ų5028.6 Ų28.627%0.26714%0.142SC..  trans-98.1103.7-177.6-174.4-10.5000109.9S398 T403 K404S398-D401 PolarHBondContact O-N 2.94Å; D401-T403 VanDerWaalsContact CG-OG1 3.25Å; D401-T403 PolarHBondContact O-N 2.69Å; D401-T403 VanDerWaalsContact OD1-CB 3.32Å; D401-T403 WeakPolarHBondContact OD1-CB 2.99Å; D401-T403 PolarHBondContact OD1-N 3.16Å; D401-T403 PolarHBondContact OD1-OG1 2.88Å; D401-T403 PolarHBondContact OD2-OG1 3.33Å; D401-K404 HydrophobicContact CB-CB 4.25Å; D401-K404 HydrophobicContact CB-CD 4.2Å; D401-K404 HydrophobicContact CB-CG 4.31Å; D401-K404 PolarHBondContact O-N 2.88Å; D401-K404 VanDerWaalsContact O-N 3.09Å; D401-K404 VanDerWaalsContact OD2-CD 3.3Å; D401-K404 WeakPolarHBondContact OD2-CD 3.45Å; D401-K404 VanDerWaalsContact OD2-CE 3.25Å; D401-K404 WeakPolarHBondContact OD2-CE 3.34Å; D401-K404 WeakPolarHBondContact OD2-CG 3.47Å; D401-K404 IonicContact OD2-NZ 2.64Å
402Q86.3Confident93.6Very high102 Ų10228.5 Ų28.548%0.47714%0.142SC..G310 helixtrans-62.7-25.1-179.4-63.8-172.814.800112.7K404 T405Q402-K404 VanDerWaalsContact C-N 3.27Å; Q402-K404 PolarHBondContact O-N 3.28Å; Q402-T405 WeakPolarHBondContact O-CB 3.5Å; Q402-T405 PolarHBondContact O-N 3.47Å; Q402-T405 PolarHBondContact O-OG1 3.03Å
403T85.8Confident93.4Very high60 Ų6028.6 Ų28.637%0.36814%0.142SC..G310 helixtrans-71.1-27.1178.675.10000111.6D401 V765D401-T403 VanDerWaalsContact CG-OG1 3.25Å; D401-T403 PolarHBondContact O-N 2.69Å; D401-T403 VanDerWaalsContact OD1-CB 3.32Å; D401-T403 WeakPolarHBondContact OD1-CB 2.99Å; D401-T403 PolarHBondContact OD1-N 3.16Å; D401-T403 PolarHBondContact OD1-OG1 2.88Å; D401-T403 PolarHBondContact OD2-OG1 3.33Å; T403-V765 HydrophobicContact CG2-CB 4.49Å; T403-V765 HydrophobicContact CG2-CG1 4Å; T403-V765 HydrophobicContact CG2-CG2 3.63Å
404K90.3Very high93.5Very high73 Ų7326 Ų2632%0.31713%0.132SC..G310 helixtrans-95.114.9177.9-64.4179.3-174.4174.30113.4D397 D401 Q402 G406 L407 V408D397-K404 IonicContact OD2-NZ 3.86Å; D397-K404 PolarHBondContact OD2-NZ 3.38Å; D401-K404 HydrophobicContact CB-CB 4.25Å; D401-K404 HydrophobicContact CB-CD 4.2Å; D401-K404 HydrophobicContact CB-CG 4.31Å; D401-K404 PolarHBondContact O-N 2.88Å; D401-K404 VanDerWaalsContact O-N 3.09Å; D401-K404 VanDerWaalsContact OD2-CD 3.3Å; D401-K404 WeakPolarHBondContact OD2-CD 3.45Å; D401-K404 VanDerWaalsContact OD2-CE 3.25Å; D401-K404 WeakPolarHBondContact OD2-CE 3.34Å; D401-K404 WeakPolarHBondContact OD2-CG 3.47Å; D401-K404 IonicContact OD2-NZ 2.64Å; Q402-K404 VanDerWaalsContact C-N 3.27Å; Q402-K404 PolarHBondContact O-N 3.28Å; K404-G406 PolarHBondContact O-N 3.22Å; K404-L407 WeakPolarHBondContact O-CB 3.28Å; K404-L407 PolarHBondContact O-N 3.23Å; K404-V408 PolarHBondContact O-N 3.46Å
405T90.9Very high93.6Very high9 Ų925.4 Ų25.46%0.05513%0.13CC..Hα-helixtrans-54.8-37.4178.4-61.70000112.3Q402 V408 H409 R465 L466Q402-T405 WeakPolarHBondContact O-CB 3.5Å; Q402-T405 PolarHBondContact O-N 3.47Å; Q402-T405 PolarHBondContact O-OG1 3.03Å; T405-V408 PolarHBondContact O-N 3.01Å; T405-H409 VanDerWaalsContact CG2-CE1 3.48Å; T405-H409 WeakPolarHBondContact CG2-CE1 3.46Å; T405-H409 PolarHBondContact O-N 3.01Å; T405-H409 VanDerWaalsContact O-N 3.15Å; T405-H409 PolarHBondContact O-ND1 2.85Å; T405-R465 HydrophobicContact CG2-CB 3.91Å; T405-L466 HydrophobicContact CG2-CD2 4.25Å
406G92.4Very high93.5Very high3 Ų325.3 Ų25.33%0.03113%0.129CC..Hα-helixtrans-62.6-39.617700000113.4K404 V408 H409 M410 Y737K404-G406 PolarHBondContact O-N 3.22Å; G406-V408 VanDerWaalsContact C-N 3.33Å; G406-V408 PolarHBondContact O-N 3.22Å; G406-H409 PolarHBondContact O-N 3.23Å; G406-M410 WeakPolarHBondContact O-CB 3.43Å; G406-M410 PolarHBondContact O-N 3.4Å; G406-Y737 VanDerWaalsContact C-CE2 3.45Å
407L94.9Very high93.5Very high4 Ų425.4 Ų25.42%0.02113%0.13CC..Hα-helixtrans-62.8-39.8174.4171.759.2000111.6Q358 L361 K404 H409 M410 G411Q358-L407 HydrophobicContact CG-CD1 4.21Å; L361-L407 HydrophobicContact CD1-CD1 3.51Å; K404-L407 WeakPolarHBondContact O-CB 3.28Å; K404-L407 PolarHBondContact O-N 3.23Å; L407-H409 PolarHBondContact O-N 2.78Å; L407-M410 WeakPolarHBondContact O-CB 3.5Å; L407-M410 PolarHBondContact O-N 3.3Å; L407-G411 PolarHBondContact O-N 2.88Å
408V95.7Very high93.6Very high0 Ų021.5 Ų21.50%011%0.109CC..Hα-helixtrans-60.5-47.4175.7-177.80000110.7L395 S398 K404 T405 G406 G411 V412 L458 L466 L469L395-V408 HydrophobicContact CD2-CB 4.31Å; L395-V408 HydrophobicContact CD2-CG1 4.06Å; L395-V408 VanDerWaalsContact CD2-O 3.25Å; L395-V408 WeakPolarHBondContact CD2-O 3.31Å; S398-V408 WeakPolarHBondContact OG-CG2 3.35Å; K404-V408 PolarHBondContact O-N 3.46Å; T405-V408 PolarHBondContact O-N 3.01Å; G406-V408 VanDerWaalsContact C-N 3.33Å; G406-V408 PolarHBondContact O-N 3.22Å; V408-G411 PolarHBondContact O-N 3.35Å; V408-V412 HydrophobicContact CG1-CG2 4.39Å; V408-V412 WeakPolarHBondContact O-CB 3.23Å; V408-V412 VanDerWaalsContact O-CG2 3.25Å; V408-V412 WeakPolarHBondContact O-CG2 3.45Å; V408-V412 PolarHBondContact O-N 2.91Å; V408-L458 HydrophobicContact CG1-CD1 4.45Å; V408-L458 HydrophobicContact CG1-CD2 3.91Å; V408-L466 HydrophobicContact CB-CD2 4.02Å; V408-L466 HydrophobicContact CG1-CD1 4.45Å; V408-L466 HydrophobicContact CG1-CD2 3.73Å; V408-L466 HydrophobicContact CG2-CD2 4.29Å; V408-L469 HydrophobicContact CG1-CD1 3.79Å
409H94.5Very high93.8Very high4 Ų421.6 Ų21.62%0.01911%0.11CC..Hα-helixtrans-60.9-46.1177.2-75.273.1000112T405 G406 L407 G411 V412 F413 S468 L469 T616 W733T405-H409 VanDerWaalsContact CG2-CE1 3.48Å; T405-H409 WeakPolarHBondContact CG2-CE1 3.46Å; T405-H409 PolarHBondContact O-N 3.01Å; T405-H409 VanDerWaalsContact O-N 3.15Å; T405-H409 PolarHBondContact O-ND1 2.85Å; G406-H409 PolarHBondContact O-N 3.23Å; L407-H409 PolarHBondContact O-N 2.78Å; H409-G411 PolarHBondContact O-N 2.97Å; H409-V412 PolarHBondContact O-N 3.46Å; H409-F413 WeakPolarHBondContact O-CB 3.43Å; H409-F413 VanDerWaalsContact O-CG 3.22Å; H409-F413 WeakPolarHBondContact O-CG 3.25Å; H409-F413 PolarHBondContact O-N 3.11Å; H409-S468 PolarHBondContact NE2-OG 3.21Å; H409-L469 VanDerWaalsContact CD2-CD2 3.4Å; H409-L469 WeakPolarHBondContact CD2-CD2 3.21Å; H409-T616 VanDerWaalsContact CD2-CG2 3.48Å; H409-T616 WeakPolarHBondContact CD2-CG2 3.43Å; H409-T616 PolarHBondContact CD2-OG1 2.93Å; H409-T616 PolarHBondContact NE2-OG1 3.48Å; H409-W733 HydrophobicContact CB-CH2 3.52Å; H409-W733 HydrophobicContact CB-CZ2 3.21Å; H409-W733 AromaticContact CG-CZ2 3.87Å
410M95.1Very high93.8Very high0 Ų020.2 Ų20.20%011%0.106CC..Hα-helixtrans-54.8-51.2177.217973.6-113.800111.6L361 V362 W365 G406 L407 F413 I414 W733 F734 Y737L361-M410 HydrophobicContact CB-CG 3.84Å; L361-M410 WeakPolarHBondContact O-CE 3.44Å; V362-M410 HydrophobicContact CB-SD 4.29Å; V362-M410 HydrophobicContact CG2-SD 3.57Å; V362-M410 VanDerWaalsContact CG2-SD 3.57Å; W365-M410 HydrophobicContact CB-CE 3.42Å; W365-M410 VanDerWaalsContact CB-CE 3.42Å; W365-M410 HydrophobicContact CD2-CE 4.27Å; W365-M410 HydrophobicContact CE3-CE 4.42Å; W365-M410 HydrophobicContact CG-CE 3.87Å; G406-M410 WeakPolarHBondContact O-CB 3.43Å; G406-M410 PolarHBondContact O-N 3.4Å; L407-M410 WeakPolarHBondContact O-CB 3.5Å; L407-M410 PolarHBondContact O-N 3.3Å; M410-F413 PolarHBondContact O-N 2.92Å; M410-I414 HydrophobicContact CE-CD1 3.64Å; M410-I414 HydrophobicContact CE-CG1 3.63Å; M410-I414 WeakPolarHBondContact O-CG1 3.39Å; M410-I414 PolarHBondContact O-N 3.05Å; M410-W733 HydrophobicContact CB-CH2 4.38Å; M410-F734 HydrophobicContact CE-CE1 3.53Å; M410-F734 HydrophobicContact CE-CZ 4.13Å; M410-F734 HydrophobicContact SD-CD1 4.13Å; M410-F734 HydrophobicContact SD-CE1 3.51Å; M410-F734 VanDerWaalsContact SD-CE1 3.51Å; M410-Y737 HydrophobicContact CB-CE1 3.86Å; M410-Y737 HydrophobicContact CG-CE1 3.93Å; M410-Y737 HydrophobicContact SD-CD1 4.31Å; M410-Y737 HydrophobicContact SD-CE1 3.89Å
411G97.4Very high94Very high1 Ų116.8 Ų16.81%0.019%0.086CC..Hα-helixtrans-65.4-40.2179.300000112.8L407 V408 H409 I414 I415L407-G411 PolarHBondContact O-N 2.88Å; V408-G411 PolarHBondContact O-N 3.35Å; H409-G411 PolarHBondContact O-N 2.97Å; G411-I414 PolarHBondContact O-N 3.32Å; G411-I415 WeakPolarHBondContact O-CG1 3.41Å; G411-I415 PolarHBondContact O-N 3.2Å; G411-I415 VanDerWaalsContact O-N 3.09Å
412V97Very high94.3Very high0 Ų022.2 Ų22.20%010%0.103CC..Hα-helixtrans-64.5-40.4176.2170.70000111.5L395 V408 H409 I415 L416 L458 L469 C472 L473 I476L395-V412 HydrophobicContact CD1-CG2 4.13Å; L395-V412 HydrophobicContact CD2-CG2 4.23Å; V408-V412 HydrophobicContact CG1-CG2 4.39Å; V408-V412 WeakPolarHBondContact O-CB 3.23Å; V408-V412 VanDerWaalsContact O-CG2 3.25Å; V408-V412 WeakPolarHBondContact O-CG2 3.45Å; V408-V412 PolarHBondContact O-N 2.91Å; H409-V412 PolarHBondContact O-N 3.46Å; V412-I415 PolarHBondContact O-N 3.37Å; V412-L416 PolarHBondContact O-N 3.13Å; V412-L458 HydrophobicContact CG2-CD1 4.49Å; V412-L469 HydrophobicContact CB-CD2 4.47Å; V412-L469 HydrophobicContact CG1-CD2 4.16Å; V412-L469 HydrophobicContact CG2-CD1 4.26Å; V412-C472 HydrophobicContact CG1-CB 4.26Å; V412-C472 VanDerWaalsContact CG1-SG 3.58Å; V412-L473 HydrophobicContact CB-CD2 4.48Å; V412-L473 HydrophobicContact CG1-CD2 3.99Å; V412-L473 HydrophobicContact CG1-CG 4.42Å; V412-L473 HydrophobicContact CG2-CD2 3.59Å; V412-I476 HydrophobicContact CG1-CD1 3.99Å
413F95.2Very high94.7Very high2 Ų221.2 Ų21.21%0.00910%0.101CC..Hα-helixtrans-63-47.2176.1-69.1-13000111.4W365 H409 M410 I415 L416 L417 L469 T616 M622 W733 F734W365-F413 HydrophobicContact CE3-CB 4.34Å; W365-F413 HydrophobicContact CH2-CB 4.16Å; W365-F413 HydrophobicContact CZ3-CB 3.83Å; W365-F413 WeakPolarHBondContact CZ3-O 3.31Å; H409-F413 WeakPolarHBondContact O-CB 3.43Å; H409-F413 VanDerWaalsContact O-CG 3.22Å; H409-F413 WeakPolarHBondContact O-CG 3.25Å; H409-F413 PolarHBondContact O-N 3.11Å; M410-F413 PolarHBondContact O-N 2.92Å; F413-I415 VanDerWaalsContact C-N 3.26Å; F413-I415 PolarHBondContact O-N 3.12Å; F413-L416 WeakPolarHBondContact O-CA 3.2Å; F413-L416 VanDerWaalsContact O-CB 3.3Å; F413-L416 WeakPolarHBondContact O-CB 2.98Å; F413-L416 PolarHBondContact O-N 2.71Å; F413-L417 PolarHBondContact O-N 3.27Å; F413-L469 HydrophobicContact CE1-CD2 4.21Å; F413-T616 HydrophobicContact CE1-CG2 4.42Å; F413-T616 HydrophobicContact CZ-CG2 3.81Å; F413-M622 HydrophobicContact CD1-CE 3.59Å; F413-M622 HydrophobicContact CD2-CE 4.1Å; F413-M622 HydrophobicContact CE1-CE 3.28Å; F413-M622 HydrophobicContact CE1-SD 3.77Å; F413-M622 HydrophobicContact CE2-CE 3.82Å; F413-M622 HydrophobicContact CG-CE 3.98Å; F413-M622 HydrophobicContact CZ-CE 3.39Å; F413-M622 HydrophobicContact CZ-SD 3.88Å; F413-W733 HydrophobicContact CD2-CE3 4.04Å; F413-W733 HydrophobicContact CD2-CH2 4.3Å; F413-W733 AromaticContact CD2-CZ3 3.79Å; F413-W733 HydrophobicContact CD2-CZ3 3.79Å; F413-W733 AromaticContact CE2-CD2 3.92Å; F413-W733 HydrophobicContact CE2-CD2 3.92Å; F413-W733 AromaticContact CE2-CE3 3.63Å; F413-W733 HydrophobicContact CE2-CE3 3.63Å; F413-W733 HydrophobicContact CE2-CH2 4.17Å; F413-W733 HydrophobicContact CE2-CZ2 4.41Å; F413-W733 AromaticContact CE2-CZ3 3.75Å; F413-W733 HydrophobicContact CE2-CZ3 3.75Å; F413-F734 HydrophobicContact CB-CZ 4.3Å; F413-F734 HydrophobicContact CD2-CE1 4.41Å; F413-F734 HydrophobicContact CD2-CE2 4.29Å; F413-F734 AromaticContact CD2-CZ 3.8Å; F413-F734 HydrophobicContact CD2-CZ 3.8Å
414I97Very high95.3Very high0 Ų018.3 Ų18.30%08%0.083CC..Hα-helixtrans-52.9-47.4174.1-69.4163.3000110.8L361 F364 W365 I391 M410 G411 L416 L417 L418L361-I414 HydrophobicContact CB-CD1 3.87Å; L361-I414 HydrophobicContact CD2-CD1 3.75Å; L361-I414 HydrophobicContact CG-CD1 4.35Å; F364-I414 HydrophobicContact CD1-CD1 4.2Å; F364-I414 HydrophobicContact CD1-CG1 4.35Å; F364-I414 HydrophobicContact CD1-CG2 3.83Å; F364-I414 HydrophobicContact CE1-CG2 3.6Å; W365-I414 HydrophobicContact CB-CG1 4.18Å; W365-I414 HydrophobicContact CE3-CG1 3.95Å; I391-I414 HydrophobicContact CD1-CB 4.42Å; I391-I414 HydrophobicContact CD1-CD1 4.44Å; I391-I414 HydrophobicContact CD1-CG2 3.69Å; M410-I414 HydrophobicContact CE-CD1 3.64Å; M410-I414 HydrophobicContact CE-CG1 3.63Å; M410-I414 WeakPolarHBondContact O-CG1 3.39Å; M410-I414 PolarHBondContact O-N 3.05Å; G411-I414 PolarHBondContact O-N 3.32Å; I414-L416 VanDerWaalsContact C-N 3.32Å; I414-L416 PolarHBondContact O-N 2.98Å; I414-L417 WeakPolarHBondContact O-CB 3.36Å; I414-L417 PolarHBondContact O-N 2.99Å; I414-L418 HydrophobicContact CG2-CD1 4Å; I414-L418 HydrophobicContact CG2-CG 4.37Å; I414-L418 WeakPolarHBondContact O-CG 3.36Å; I414-L418 PolarHBondContact O-N 3.42Å
415I98.1Very high95.6Very high0 Ų014.9 Ų14.90%07%0.069CC..Hα-helixtrans-65.6-36.7179.4-61.1169000111L388 I391 L392 L395 G411 V412 F413 L417 L418 S419 F424 L451 F455 I476L388-I415 HydrophobicContact CD1-CD1 4.07Å; L388-I415 HydrophobicContact CD1-CG1 4.1Å; I391-I415 HydrophobicContact CG2-CD1 3.88Å; I391-I415 HydrophobicContact CG2-CG1 4.11Å; L392-I415 HydrophobicContact CD2-CD1 3.82Å; L395-I415 HydrophobicContact CD1-CD1 3.79Å; G411-I415 WeakPolarHBondContact O-CG1 3.41Å; G411-I415 PolarHBondContact O-N 3.2Å; G411-I415 VanDerWaalsContact O-N 3.09Å; V412-I415 PolarHBondContact O-N 3.37Å; F413-I415 VanDerWaalsContact C-N 3.26Å; F413-I415 PolarHBondContact O-N 3.12Å; I415-L417 PolarHBondContact O-N 3.14Å; I415-L418 PolarHBondContact O-N 3.49Å; I415-S419 VanDerWaalsContact O-CB 3.23Å; I415-S419 WeakPolarHBondContact O-CB 3.2Å; I415-S419 PolarHBondContact O-N 2.87Å; I415-S419 PolarHBondContact O-OG 2.6Å; I415-F424 HydrophobicContact CG2-CE1 4.3Å; I415-F424 HydrophobicContact CG2-CZ 4.24Å; I415-L451 HydrophobicContact CG2-CD1 4.11Å; I415-F455 HydrophobicContact CD1-CE1 3.96Å; I415-F455 HydrophobicContact CD1-CZ 4.02Å; I415-F455 HydrophobicContact CG2-CZ 4.06Å; I415-I476 HydrophobicContact CB-CD1 4.17Å; I415-I476 HydrophobicContact CG2-CD1 4.03Å; I415-I476 HydrophobicContact CG2-CG1 4.44Å; I415-I476 HydrophobicContact CG2-CG2 3.64Å
416L96.7Very high95.9Very high0 Ų017.4 Ų17.40%08%0.084CC..Hα-helixtrans-57.5-48.4172.5-17968.2000111.5V412 F413 I414 L418 S419 G420 T475 I476 I619 T623 Y724V412-L416 PolarHBondContact O-N 3.13Å; F413-L416 WeakPolarHBondContact O-CA 3.2Å; F413-L416 VanDerWaalsContact O-CB 3.3Å; F413-L416 WeakPolarHBondContact O-CB 2.98Å; F413-L416 PolarHBondContact O-N 2.71Å; I414-L416 VanDerWaalsContact C-N 3.32Å; I414-L416 PolarHBondContact O-N 2.98Å; L416-L418 PolarHBondContact O-N 3.27Å; L416-S419 PolarHBondContact O-N 3.2Å; L416-S419 PolarHBondContact O-OG 3.16Å; L416-G420 PolarHBondContact O-N 3.15Å; L416-T475 HydrophobicContact CD1-CG2 4.01Å; L416-I476 HydrophobicContact CB-CD1 4.06Å; L416-I476 HydrophobicContact CB-CG1 4.05Å; L416-I476 HydrophobicContact CD1-CG1 3.9Å; L416-I619 HydrophobicContact CD1-CD1 4.15Å; L416-I619 HydrophobicContact CD2-CD1 3.69Å; L416-T623 HydrophobicContact CD1-CG2 4.33Å; L416-T623 HydrophobicContact CD2-CG2 4.36Å; L416-Y724 HydrophobicContact CD2-CD2 4.15Å
417L95Very high96.1Very high6 Ų621.7 Ų21.73%0.03110%0.099CC..Hα-helixtrans-58-46.7176.8175.867.8000111.7W365 C368 L375 F413 I414 I415 Y724W365-L417 HydrophobicContact CE3-CB 4.31Å; W365-L417 HydrophobicContact CE3-CD2 3.96Å; W365-L417 HydrophobicContact CH2-CB 4.2Å; W365-L417 HydrophobicContact CZ3-CB 3.59Å; W365-L417 HydrophobicContact CZ3-CD2 3.94Å; W365-L417 HydrophobicContact CZ3-CG 4.34Å; C368-L417 HydrophobicContact CB-CD2 3.52Å; L375-L417 HydrophobicContact CD2-CD1 4.31Å; F413-L417 PolarHBondContact O-N 3.27Å; I414-L417 WeakPolarHBondContact O-CB 3.36Å; I414-L417 PolarHBondContact O-N 2.99Å; I415-L417 PolarHBondContact O-N 3.14Å; L417-Y724 HydrophobicContact CD1-CD1 3.79Å; L417-Y724 HydrophobicContact CD1-CG 4.38Å
418L96.9Very high96.2Very high0 Ų021.5 Ų21.50%010%0.098CC..Hα-helixtrans-67.2-37.1178.3-62.4175.4000112.3L375 L379 V384 I414 I415 L416 G420 E421 F424L375-L418 HydrophobicContact CD1-CD2 3.8Å; L379-L418 HydrophobicContact CD2-CD2 4.15Å; V384-L418 HydrophobicContact CG2-CD1 4.19Å; I414-L418 HydrophobicContact CG2-CD1 4Å; I414-L418 HydrophobicContact CG2-CG 4.37Å; I414-L418 WeakPolarHBondContact O-CG 3.36Å; I414-L418 PolarHBondContact O-N 3.42Å; I415-L418 PolarHBondContact O-N 3.49Å; L416-L418 PolarHBondContact O-N 3.27Å; L418-G420 PolarHBondContact O-N 3.21Å; L418-E421 PolarHBondContact O-N 3.45Å; L418-F424 HydrophobicContact CB-CD1 4.36Å; L418-F424 HydrophobicContact CB-CD2 3.87Å; L418-F424 HydrophobicContact CB-CE1 4.46Å; L418-F424 HydrophobicContact CB-CE2 4.01Å; L418-F424 HydrophobicContact CB-CG 4.04Å; L418-F424 HydrophobicContact CB-CZ 4.29Å; L418-F424 HydrophobicContact CD1-CD2 4.48Å; L418-F424 HydrophobicContact CD1-CE2 4.1Å; L418-F424 WeakPolarHBondContact O-CB 3.37Å
419S97Very high96.3Very high2 Ų222.8 Ų22.81%0.01411%0.105CC..Hα-helixtrans-64.5-22.3-177.7780000113.9I415 L416 E421 N479I415-S419 VanDerWaalsContact O-CB 3.23Å; I415-S419 WeakPolarHBondContact O-CB 3.2Å; I415-S419 PolarHBondContact O-N 2.87Å; I415-S419 PolarHBondContact O-OG 2.6Å; L416-S419 PolarHBondContact O-N 3.2Å; L416-S419 PolarHBondContact O-OG 3.16Å; S419-E421 PolarHBondContact O-N 3.28Å; S419-N479 WeakPolarHBondContact O-CB 3.47Å; S419-N479 PolarHBondContact OG-ND2 3.34Å
420G94.7Very high96.4Very high4 Ų427.4 Ų27.44%0.04113%0.125CC..THydrogen-bonded Turntrans-66.6-10.5176.600000114.1L416 L418 I721 K723L416-G420 PolarHBondContact O-N 3.15Å; L418-G420 PolarHBondContact O-N 3.21Å; G420-I721 WeakPolarHBondContact O-CG2 3.24Å; G420-K723 VanDerWaalsContact O-CE 3.24Å; G420-K723 WeakPolarHBondContact O-CE 3.36Å
421E94.6Very high96.4Very high33 Ų3331.4 Ų31.415%0.15415%0.151CC..SBendtrans-113.2132.3-175.9-64.6-60.314600112.4L379 L418 S419 N423 F424 K723L379-E421 HydrophobicContact CD1-CB 3.46Å; L379-E421 VanDerWaalsContact CD1-CB 3.46Å; L379-E421 HydrophobicContact CD1-CG 3.48Å; L379-E421 VanDerWaalsContact CD1-CG 3.48Å; L379-E421 HydrophobicContact CD2-CB 4.46Å; L418-E421 PolarHBondContact O-N 3.45Å; S419-E421 PolarHBondContact O-N 3.28Å; E421-N423 PolarHBondContact O-N 3.29Å; E421-N423 VanDerWaalsContact O-N 3.17Å; E421-F424 WeakPolarHBondContact O-CB 3.48Å; E421-F424 PolarHBondContact O-N 3.36Å; E421-F424 VanDerWaalsContact O-N 3.07Å; E421-K723 IonicContact OE1-NZ 3.06Å; E421-K723 PolarHBondContact OE1-NZ 3.4Å; E421-K723 IonicContact OE2-NZ 2.79Å
422R94.9Very high96.2Very high163 Ų16333.3 Ų33.362%0.61516%0.158SC*.Hα-helixtrans-53.3-40.7-178.3171.5175.9178.4128.1-0.3113F424 G425 V426 Y483R422-F424 PolarHBondContact O-N 3.39Å; R422-G425 PolarHBondContact O-N 3.23Å; R422-V426 HydrophobicContact CG-CG2 4.21Å; R422-V426 WeakPolarHBondContact O-CG2 3.13Å; R422-V426 PolarHBondContact O-N 3.14Å; R422-Y483 HydrophobicContact CB-CE1 4.37Å; R422-Y483 HydrophobicContact CG-CD1 4.31Å; R422-Y483 HydrophobicContact CG-CE1 3.67Å
423N95.5Very high95.8Very high81 Ų8139 Ų3943%0.43319%0.193SC..Hα-helixtrans-60.1-36.3-177.5-74.2-18.8000111.8L379 E421 V426 R427L379-N423 HydrophobicContact CB-CB 4.19Å; L379-N423 WeakPolarHBondContact O-CB 3.35Å; E421-N423 PolarHBondContact O-N 3.29Å; E421-N423 VanDerWaalsContact O-N 3.17Å; N423-V426 PolarHBondContact O-N 3.37Å; N423-R427 WeakPolarHBondContact O-CB 3.43Å; N423-R427 WeakPolarHBondContact O-CG 3.28Å; N423-R427 PolarHBondContact O-N 3.07Å
424F97.6Very high94.8Very high0 Ų040.9 Ų40.90%021%0.209CC..Hα-helixtrans-59.5-54.6176.1-177-111.8000110.9L379 V384 L388 I415 L418 E421 R422 V426 R427 L428 L451 I480L379-F424 HydrophobicContact CD2-CB 3.74Å; L379-F424 HydrophobicContact CD2-CD2 4.39Å; V384-F424 HydrophobicContact CG2-CD2 3.86Å; V384-F424 HydrophobicContact CG2-CE2 4.11Å; L388-F424 HydrophobicContact CD1-CZ 4.18Å; L388-F424 HydrophobicContact CD2-CE2 4.33Å; L388-F424 HydrophobicContact CD2-CZ 4.26Å; I415-F424 HydrophobicContact CG2-CE1 4.3Å; I415-F424 HydrophobicContact CG2-CZ 4.24Å; L418-F424 HydrophobicContact CB-CD1 4.36Å; L418-F424 HydrophobicContact CB-CD2 3.87Å; L418-F424 HydrophobicContact CB-CE1 4.46Å; L418-F424 HydrophobicContact CB-CE2 4.01Å; L418-F424 HydrophobicContact CB-CG 4.04Å; L418-F424 HydrophobicContact CB-CZ 4.29Å; L418-F424 HydrophobicContact CD1-CD2 4.48Å; L418-F424 HydrophobicContact CD1-CE2 4.1Å; L418-F424 WeakPolarHBondContact O-CB 3.37Å; E421-F424 WeakPolarHBondContact O-CB 3.48Å; E421-F424 PolarHBondContact O-N 3.36Å; E421-F424 VanDerWaalsContact O-N 3.07Å; R422-F424 PolarHBondContact O-N 3.39Å; F424-V426 VanDerWaalsContact C-N 3.27Å; F424-V426 PolarHBondContact O-N 3.49Å; F424-R427 PolarHBondContact O-N 2.65Å; F424-L428 HydrophobicContact CD1-CD1 4.11Å; F424-L428 HydrophobicContact CD1-CG 4.47Å; F424-L428 HydrophobicContact CE1-CD1 3.8Å; F424-L428 HydrophobicContact CE1-CD2 4.33Å; F424-L428 HydrophobicContact CE1-CG 4.28Å; F424-L428 HydrophobicContact CE2-CD2 4.2Å; F424-L428 HydrophobicContact CZ-CD1 4.26Å; F424-L428 HydrophobicContact CZ-CD2 3.95Å; F424-L428 HydrophobicContact CZ-CG 4.35Å; F424-L428 WeakPolarHBondContact O-CG 3.31Å; F424-L428 PolarHBondContact O-N 2.9Å; F424-L451 HydrophobicContact CE1-CD1 4.42Å; F424-L451 HydrophobicContact CZ-CD1 4.36Å; F424-I480 HydrophobicContact CD1-CG2 3.92Å; F424-I480 HydrophobicContact CE1-CG2 4.07Å
425G96.6Very high93.6Very high1 Ų152.2 Ų52.21%0.0125%0.252CS..Hα-helixtrans-56-39.8178.200000113R422 N429R422-G425 PolarHBondContact O-N 3.23Å; G425-N429 PolarHBondContact O-ND2 3.24Å
426V96.5Very high92.8Very high61 Ų6153.3 Ų53.337%0.3726%0.259SS..Hα-helixtrans-65.9-43.7175.9174.70000111.6R422 N423 F424 L428 N429 Y483R422-V426 HydrophobicContact CG-CG2 4.21Å; R422-V426 WeakPolarHBondContact O-CG2 3.13Å; R422-V426 PolarHBondContact O-N 3.14Å; N423-V426 PolarHBondContact O-N 3.37Å; F424-V426 VanDerWaalsContact C-N 3.27Å; F424-V426 PolarHBondContact O-N 3.49Å; V426-L428 VanDerWaalsContact C-N 3.32Å; V426-L428 PolarHBondContact O-N 2.91Å; V426-N429 PolarHBondContact O-N 3.43Å; V426-N429 PolarHBondContact O-ND2 3.07Å; V426-Y483 HydrophobicContact CG2-CD1 4.35Å
427R96.4Very high92Very high94 Ų9456.9 Ų56.936%0.35528%0.281SS..Hα-helixtrans-66.3-30.9-178.2-70.2-67.9-178.6-169.7-1.1113.1K380 S381 V384 L385 N423 F424 N429 K430K380-R427 PolarHBondContact O-NH2 3.14Å; S381-R427 PolarHBondContact O-NE 3.15Å; V384-R427 HydrophobicContact CG1-CB 4.12Å; V384-R427 HydrophobicContact CG1-CG 4.2Å; L385-R427 HydrophobicContact CD2-CB 4.47Å; N423-R427 WeakPolarHBondContact O-CB 3.43Å; N423-R427 WeakPolarHBondContact O-CG 3.28Å; N423-R427 PolarHBondContact O-N 3.07Å; F424-R427 PolarHBondContact O-N 2.65Å; R427-N429 PolarHBondContact O-N 3.25Å; R427-K430 WeakPolarHBondContact O-CB 3.24Å; R427-K430 PolarHBondContact O-N 3.21Å
428L97.7Very high91.7Very high0 Ų057.5 Ų57.50%029%0.285CS..THydrogen-bonded Turntrans-58.3-21.4178.3-69.8178.2000114L385 L388 F424 V426 K430 T446 H447 A448 L451 I480L385-L428 HydrophobicContact CD2-CD2 4.27Å; L388-L428 HydrophobicContact CD2-CD2 3.33Å; F424-L428 HydrophobicContact CD1-CD1 4.11Å; F424-L428 HydrophobicContact CD1-CG 4.47Å; F424-L428 HydrophobicContact CE1-CD1 3.8Å; F424-L428 HydrophobicContact CE1-CD2 4.33Å; F424-L428 HydrophobicContact CE1-CG 4.28Å; F424-L428 HydrophobicContact CE2-CD2 4.2Å; F424-L428 HydrophobicContact CZ-CD1 4.26Å; F424-L428 HydrophobicContact CZ-CD2 3.95Å; F424-L428 HydrophobicContact CZ-CG 4.35Å; F424-L428 WeakPolarHBondContact O-CG 3.31Å; F424-L428 PolarHBondContact O-N 2.9Å; V426-L428 VanDerWaalsContact C-N 3.32Å; V426-L428 PolarHBondContact O-N 2.91Å; L428-K430 PolarHBondContact O-N 3.23Å; L428-T446 WeakPolarHBondContact O-CB 3.32Å; L428-H447 HydrophobicContact CD2-CB 4.12Å; L428-H447 PolarHBondContact O-N 3.23Å; L428-A448 HydrophobicContact CB-CB 3.94Å; L428-A448 PolarHBondContact O-N 3.11Å; L428-L451 HydrophobicContact CD1-CD1 4.28Å; L428-L451 HydrophobicContact CD2-CD1 4.47Å; L428-I480 HydrophobicContact CD1-CB 4.03Å; L428-I480 HydrophobicContact CD1-CD1 3.67Å; L428-I480 HydrophobicContact CD1-CG1 4.42Å; L428-I480 HydrophobicContact CD1-CG2 3.79Å
429N97.5Very high91.3Very high27 Ų2762.1 Ų62.114%0.14431%0.309CS..THydrogen-bonded Turntrans-71.6-7.3176.5-63.4-71.1000114.2G425 V426 R427 T446 Y483 K485G425-N429 PolarHBondContact O-ND2 3.24Å; V426-N429 PolarHBondContact O-N 3.43Å; V426-N429 PolarHBondContact O-ND2 3.07Å; R427-N429 PolarHBondContact O-N 3.25Å; N429-T446 WeakPolarHBondContact O-CG2 3.35Å; N429-Y483 PolarHBondContact ND2-O 2.89Å; N429-Y483 PolarHBondContact OD1-O 3.11Å; N429-K485 WeakPolarHBondContact OD1-CB 3.28Å; N429-K485 PolarHBondContact OD1-N 2.94Å
430K96.2Very high91.1Very high100 Ų10063.4 Ų63.444%0.43532%0.317SS..SBendtrans-62.4137.3175.2-167.2-179-176.2-177.80109.1L385 R427 L428 Y432 T446 H447L385-K430 HydrophobicContact CD1-CB 3.61Å; L385-K430 HydrophobicContact CD1-CD 3.45Å; L385-K430 VanDerWaalsContact CD1-CD 3.45Å; L385-K430 HydrophobicContact CD1-CG 4.13Å; R427-K430 WeakPolarHBondContact O-CB 3.24Å; R427-K430 PolarHBondContact O-N 3.21Å; L428-K430 PolarHBondContact O-N 3.23Å; K430-Y432 PolarHBondContact O-N 3.46Å; K430-T446 WeakPolarHBondContact O-CA 3.12Å; K430-H447 PolarHBondContact O-N 2.64Å; K430-H447 VanDerWaalsContact O-N 3.16Å; K430-H447 PolarHBondContact O-ND1 2.63Å
431P95.7Very high90.9Very high84 Ų8465 Ų6555%0.54533%0.326SS..BIsolated β-bridgetrans-55.5134.8175.1-25.934.6000111.7T433 H447P431-T433 HydrophobicContact CB-CG2 4.44Å; P431-T433 PolarHBondContact O-N 3.31Å; P431-H447 PolarHBondContact O-CE1 3.13Å; P431-H447 VanDerWaalsContact O-CE1 3.22Å
432Y94.1Very high90.6Very high41 Ų4171 Ų7116%0.16136%0.359CS..  trans-84.8107.6174.1178.5-108.7000109.3V389 K430 A434 F443 G445 H447 L450V389-Y432 HydrophobicContact CG1-CE2 4.39Å; V389-Y432 HydrophobicContact CG2-CD2 4.39Å; V389-Y432 HydrophobicContact CG2-CE2 3.87Å; K430-Y432 PolarHBondContact O-N 3.46Å; Y432-A434 HydrophobicContact CD2-CB 4.34Å; Y432-A434 WeakPolarHBondContact CE1-O 3.19Å; Y432-A434 HydrophobicContact CE2-CB 3.65Å; Y432-A434 VanDerWaalsContact CZ-O 3.26Å; Y432-A434 PolarHBondContact OH-O 3.37Å; Y432-F443 HydrophobicContact CD1-CE1 4.48Å; Y432-F443 AromaticContact CD1-CZ 3.85Å; Y432-F443 HydrophobicContact CD1-CZ 3.85Å; Y432-F443 HydrophobicContact CE1-CZ 4.49Å; Y432-F443 HydrophobicContact CG-CZ 4.5Å; Y432-G445 PolarHBondContact N-O 2.88Å; Y432-H447 AromaticContact CD2-CD2 3.88Å; Y432-H447 AromaticContact CD2-NE2 3.76Å; Y432-L450 HydrophobicContact CD2-CD2 3.89Å; Y432-L450 HydrophobicContact CE1-CD1 4.47Å; Y432-L450 HydrophobicContact CE1-CD2 4.29Å; Y432-L450 HydrophobicContact CE2-CD2 3.53Å; Y432-L450 HydrophobicContact CG-CD2 4.4Å
433T87.7Confident90.5Very high121 Ų12165.1 Ų65.174%0.74234%0.338SS*.  trans-112.2-6.5-179.1580000113.1P431P431-T433 HydrophobicContact CB-CG2 4.44Å; P431-T433 PolarHBondContact O-N 3.31Å
434A73.7Confident90.4Very high41 Ų4167.9 Ų67.934%0.33936%0.358SS..  trans-70.6137-173.700000111.2Y432 V436Y432-A434 HydrophobicContact CD2-CB 4.34Å; Y432-A434 WeakPolarHBondContact CE1-O 3.19Å; Y432-A434 HydrophobicContact CE2-CB 3.65Å; Y432-A434 VanDerWaalsContact CZ-O 3.26Å; Y432-A434 PolarHBondContact OH-O 3.37Å; A434-V436 VanDerWaalsContact C-N 3.33Å; A434-V436 PolarHBondContact O-N 3.14Å
435R73.4Confident90.2Very high237 Ų23768.8 Ų68.889%0.89437%0.367SS*.  trans-97.641.2-179.3-61.1-176.8-178.3179.90112
436V80.1Confident90.2Very high24 Ų2469.1 Ų69.115%0.14537%0.369CS..  trans-67.4125.9170.8178.90000107.2L342 V389 Y393 A434 M438L342-V436 HydrophobicContact CB-CG1 4.3Å; L342-V436 HydrophobicContact CD1-CG1 4.19Å; V389-V436 HydrophobicContact CG1-CB 4.46Å; V389-V436 HydrophobicContact CG1-CG2 3.76Å; Y393-V436 HydrophobicContact CD2-CG1 3.56Å; Y393-V436 HydrophobicContact CE2-CG1 4.15Å; Y393-V436 HydrophobicContact CG-CG1 4.23Å; A434-V436 VanDerWaalsContact C-N 3.33Å; A434-V436 PolarHBondContact O-N 3.14Å; V436-M438 VanDerWaalsContact C-N 3.25Å; V436-M438 PolarHBondContact O-N 3.36Å
437P81Confident90.3Very high74 Ų7466.9 Ų66.948%0.48136%0.355SS..  trans-71.786178.530.1-34.4000109.2Q344Q344-P437 HydrophobicContact CG-CG 4.26Å; Q344-P437 VanDerWaalsContact NE2-CG 3.35Å
438M87Confident90.4Very high20 Ų2062.6 Ų62.610%0.09934%0.339CS..  trans-105.7129.6178.2-161.2-177.3-48.300107.9Y393 N396 V436 V440 L450 V454Y393-M438 HydrophobicContact CD2-CG 4.38Å; N396-M438 HydrophobicContact CB-CG 4.14Å; N396-M438 HydrophobicContact CB-SD 4.12Å; N396-M438 WeakPolarHBondContact ND2-CG 3.4Å; V436-M438 VanDerWaalsContact C-N 3.25Å; V436-M438 PolarHBondContact O-N 3.36Å; M438-V440 HydrophobicContact CB-CG2 4.28Å; M438-V440 HydrophobicContact CG-CG1 3.96Å; M438-V440 PolarHBondContact O-N 3.47Å; M438-V440 HydrophobicContact SD-CG1 3.86Å; M438-L450 HydrophobicContact CE-CD1 4.1Å; M438-L450 HydrophobicContact CE-CD2 4.16Å; M438-L450 HydrophobicContact SD-CD1 3.95Å; M438-V454 HydrophobicContact SD-CG2 3.78Å
439D89.8Confident90.4Very high97 Ų9762.6 Ų62.652%0.51934%0.339SS..SBendtrans-67.186.2170.4166.626.6000108.5N396 R399 K457N396-D439 PolarHBondContact ND2-O 2.98Å; N396-D439 PolarHBondContact OD1-O 3.41Å; R399-D439 IonicContact CZ-OD2 2.68Å; R399-D439 IonicContact NH1-OD2 3.66Å; R399-D439 PolarHBondContact NH1-OD2 2.85Å; R399-D439 IonicContact NH2-OD2 3.23Å; R399-D439 PolarHBondContact NH2-OD2 2.81Å; D439-K457 PolarHBondContact O-NZ 2.87Å; D439-K457 IonicContact OD1-NZ 3.94Å; D439-K457 PolarHBondContact OD1-NZ 3.37Å; D439-K457 VanDerWaalsContact OD1-NZ 3.08Å; D439-K457 IonicContact OD2-NZ 3.44Å; D439-K457 PolarHBondContact OD2-NZ 2.94Å
440V91.5Very high90.4Very high28 Ų2861.4 Ų61.417%0.1733%0.332CS..SBendtrans-141.1150.3172.9-670000108.1M438 F443 L450 I453 V454 K457M438-V440 HydrophobicContact CB-CG2 4.28Å; M438-V440 HydrophobicContact CG-CG1 3.96Å; M438-V440 PolarHBondContact O-N 3.47Å; M438-V440 HydrophobicContact SD-CG1 3.86Å; V440-F443 HydrophobicContact CG2-CE1 4.48Å; V440-L450 HydrophobicContact CG2-CD1 4.37Å; V440-I453 HydrophobicContact CB-CG2 3.98Å; V440-I453 HydrophobicContact CG1-CG2 4.01Å; V440-V454 HydrophobicContact CG1-CG2 4.15Å; V440-K457 HydrophobicContact CG1-CD 4.47Å
441P91.1Very high90.5Very high37 Ų3756.6 Ų56.624%0.2431%0.312CS..  trans-54.9145.5174.5-23.833.6000111.3F443 V490P441-F443 WeakPolarHBondContact O-CD1 3.46Å; P441-F443 PolarHBondContact O-N 3.42Å; P441-V490 HydrophobicContact CB-CG1 4.41Å
442L89.1Confident90.6Very high159 Ų15952.7 Ų52.783%0.83229%0.286SS*.  trans-62.5128.2174.6-65.6176000109.9
443F92.7Very high90.8Very high40 Ų4050.8 Ų50.818%0.17528%0.279CS..  trans-145.9155.4176.375.3-80.3000110.5Y432 V440 P441 D449 L450 I453 V490Y432-F443 HydrophobicContact CD1-CE1 4.48Å; Y432-F443 AromaticContact CD1-CZ 3.85Å; Y432-F443 HydrophobicContact CD1-CZ 3.85Å; Y432-F443 HydrophobicContact CE1-CZ 4.49Å; Y432-F443 HydrophobicContact CG-CZ 4.5Å; V440-F443 HydrophobicContact CG2-CE1 4.48Å; P441-F443 WeakPolarHBondContact O-CD1 3.46Å; P441-F443 PolarHBondContact O-N 3.42Å; F443-D449 HydrophobicContact CD2-CB 3.85Å; F443-D449 HydrophobicContact CE2-CB 3.52Å; F443-D449 HydrophobicContact CZ-CB 4.36Å; F443-L450 HydrophobicContact CE1-CD1 4.1Å; F443-L450 HydrophobicContact CZ-CB 3.91Å; F443-L450 HydrophobicContact CZ-CD1 4.17Å; F443-I453 HydrophobicContact CB-CD1 4.32Å; F443-I453 HydrophobicContact CD1-CD1 3.55Å; F443-I453 HydrophobicContact CD2-CD1 4.22Å; F443-I453 HydrophobicContact CE1-CD1 3.86Å; F443-I453 HydrophobicContact CG-CD1 3.76Å; F443-I453 HydrophobicContact CZ-CD1 4.34Å; F443-V490 HydrophobicContact CB-CB 4.21Å; F443-V490 HydrophobicContact CB-CG2 4.02Å
444T92.5Very high91.3Very high140 Ų14045 Ų4586%0.85924%0.243SC*.  trans-112.7118166.2-59.20000107.4
445G94.8Very high92.5Very high19 Ų1943 Ų4320%0.19623%0.227CC..  trans-176.3-156-17300000113Y432 D449Y432-G445 PolarHBondContact N-O 2.88Å; G445-D449 WeakPolarHBondContact CA-OD2 3.04Å
446T96.7Very high93.7Very high8 Ų832.3 Ų32.35%0.04919%0.187CC..BIsolated β-bridgetrans-106.4176.8-173.368.10000111.5L428 N429 K430 A448 D449 L450L428-T446 WeakPolarHBondContact O-CB 3.32Å; N429-T446 WeakPolarHBondContact O-CG2 3.35Å; K430-T446 WeakPolarHBondContact O-CA 3.12Å; T446-A448 PolarHBondContact O-N 3.11Å; T446-A448 WeakPolarHBondContact OG1-CB 3.5Å; T446-A448 PolarHBondContact OG1-N 3.4Å; T446-D449 PolarHBondContact N-OD2 3.01Å; T446-D449 WeakPolarHBondContact O-CB 3.38Å; T446-D449 PolarHBondContact O-N 3.34Å; T446-D449 PolarHBondContact OG1-N 2.68Å; T446-D449 PolarHBondContact OG1-OD2 3.23Å; T446-L450 PolarHBondContact O-N 2.88Å
447H97.4Very high94.5Very high14 Ų1432.7 Ų32.77%0.06519%0.187CC..Hα-helixtrans-67.6-25.4172.8-65.171.3000111.8L385 L388 L428 K430 P431 Y432 D449 L450 L451L385-H447 HydrophobicContact CD2-CB 3.95Å; L388-H447 HydrophobicContact CD2-CB 4.4Å; L428-H447 HydrophobicContact CD2-CB 4.12Å; L428-H447 PolarHBondContact O-N 3.23Å; K430-H447 PolarHBondContact O-N 2.64Å; K430-H447 VanDerWaalsContact O-N 3.16Å; K430-H447 PolarHBondContact O-ND1 2.63Å; P431-H447 PolarHBondContact O-CE1 3.13Å; P431-H447 VanDerWaalsContact O-CE1 3.22Å; Y432-H447 AromaticContact CD2-CD2 3.88Å; Y432-H447 AromaticContact CD2-NE2 3.76Å; H447-D449 VanDerWaalsContact C-N 3.33Å; H447-L450 PolarHBondContact O-N 3.33Å; H447-L451 WeakPolarHBondContact O-CB 3.5Å; H447-L451 PolarHBondContact O-N 2.77Å
448A98.1Very high95.2Very high3 Ų329.3 Ų29.33%0.02517%0.165CC..Hα-helixtrans-61.8-41.6170.900000111.8L428 T446 L451 I452 L484L428-A448 HydrophobicContact CB-CB 3.94Å; L428-A448 PolarHBondContact O-N 3.11Å; T446-A448 PolarHBondContact O-N 3.11Å; T446-A448 WeakPolarHBondContact OG1-CB 3.5Å; T446-A448 PolarHBondContact OG1-N 3.4Å; A448-L451 PolarHBondContact O-N 3.4Å; A448-I452 WeakPolarHBondContact O-CG1 3.36Å; A448-I452 PolarHBondContact O-N 3.14Å; A448-L484 HydrophobicContact CB-CD2 3.43Å; A448-L484 VanDerWaalsContact CB-CD2 3.43Å
449D98Very high95.6Very high1 Ų128.5 Ų28.51%0.00516%0.161CC..Hα-helixtrans-61.9-46.3177.2-66.3-76.3000111.2F443 G445 T446 H447 L451 I452 I453 M487 S488 A491F443-D449 HydrophobicContact CD2-CB 3.85Å; F443-D449 HydrophobicContact CE2-CB 3.52Å; F443-D449 HydrophobicContact CZ-CB 4.36Å; G445-D449 WeakPolarHBondContact CA-OD2 3.04Å; T446-D449 PolarHBondContact N-OD2 3.01Å; T446-D449 WeakPolarHBondContact O-CB 3.38Å; T446-D449 PolarHBondContact O-N 3.34Å; T446-D449 PolarHBondContact OG1-N 2.68Å; T446-D449 PolarHBondContact OG1-OD2 3.23Å; H447-D449 VanDerWaalsContact C-N 3.33Å; D449-L451 VanDerWaalsContact C-N 3.32Å; D449-L451 PolarHBondContact O-N 3.25Å; D449-I452 PolarHBondContact O-N 2.87Å; D449-I453 WeakPolarHBondContact O-CB 3.27Å; D449-I453 WeakPolarHBondContact O-CD1 3.49Å; D449-I453 WeakPolarHBondContact O-CG1 3.28Å; D449-I453 PolarHBondContact O-N 3.31Å; D449-M487 WeakPolarHBondContact OD1-CG 3.3Å; D449-S488 WeakPolarHBondContact OD1-CA 3.25Å; D449-S488 WeakPolarHBondContact OD1-CB 3.35Å; D449-S488 PolarHBondContact OD1-N 3.17Å; D449-S488 PolarHBondContact OD1-OG 3.1Å; D449-A491 HydrophobicContact CB-CB 4.15Å; D449-A491 WeakPolarHBondContact OD1-CB 3.47Å
450L97.5Very high95.9Very high1 Ų126 Ų261%0.00515%0.149CC..Hα-helixtrans-56.5-47.8175.8-176.363.8000111.3L392 Y432 M438 V440 F443 T446 H447 I452 I453 V454L392-L450 HydrophobicContact CD1-CB 4.4Å; L392-L450 HydrophobicContact CD1-CD2 3.87Å; L392-L450 HydrophobicContact CD1-CG 3.87Å; Y432-L450 HydrophobicContact CD2-CD2 3.89Å; Y432-L450 HydrophobicContact CE1-CD1 4.47Å; Y432-L450 HydrophobicContact CE1-CD2 4.29Å; Y432-L450 HydrophobicContact CE2-CD2 3.53Å; Y432-L450 HydrophobicContact CG-CD2 4.4Å; M438-L450 HydrophobicContact CE-CD1 4.1Å; M438-L450 HydrophobicContact CE-CD2 4.16Å; M438-L450 HydrophobicContact SD-CD1 3.95Å; V440-L450 HydrophobicContact CG2-CD1 4.37Å; F443-L450 HydrophobicContact CE1-CD1 4.1Å; F443-L450 HydrophobicContact CZ-CB 3.91Å; F443-L450 HydrophobicContact CZ-CD1 4.17Å; T446-L450 PolarHBondContact O-N 2.88Å; H447-L450 PolarHBondContact O-N 3.33Å; L450-I452 PolarHBondContact O-N 3.48Å; L450-I453 PolarHBondContact O-N 3.5Å; L450-V454 HydrophobicContact CD1-CG2 4.36Å; L450-V454 WeakPolarHBondContact O-CG2 3.3Å; L450-V454 PolarHBondContact O-N 2.81Å
451L98.3Very high95.9Very high0 Ų025.2 Ų25.20%015%0.145CC..Hα-helixtrans-58.2-49.8178.7-177.5156.8000111.1L392 I415 F424 L428 H447 A448 D449 I453 V454 F455 I477 I480L392-L451 HydrophobicContact CD1-CB 4.11Å; L392-L451 HydrophobicContact CD2-CB 4.49Å; L392-L451 HydrophobicContact CD2-CG 4.41Å; I415-L451 HydrophobicContact CG2-CD1 4.11Å; F424-L451 HydrophobicContact CE1-CD1 4.42Å; F424-L451 HydrophobicContact CZ-CD1 4.36Å; L428-L451 HydrophobicContact CD1-CD1 4.28Å; L428-L451 HydrophobicContact CD2-CD1 4.47Å; H447-L451 WeakPolarHBondContact O-CB 3.5Å; H447-L451 PolarHBondContact O-N 2.77Å; A448-L451 PolarHBondContact O-N 3.4Å; D449-L451 VanDerWaalsContact C-N 3.32Å; D449-L451 PolarHBondContact O-N 3.25Å; L451-I453 VanDerWaalsContact C-N 3.34Å; L451-I453 PolarHBondContact O-N 3.17Å; L451-V454 PolarHBondContact O-N 3.41Å; L451-F455 HydrophobicContact CD2-CD1 4.34Å; L451-F455 HydrophobicContact CD2-CD2 3.8Å; L451-F455 HydrophobicContact CD2-CE1 4.35Å; L451-F455 HydrophobicContact CD2-CE2 3.8Å; L451-F455 HydrophobicContact CD2-CG 4.08Å; L451-F455 HydrophobicContact CD2-CZ 4.09Å; L451-F455 HydrophobicContact CG-CD1 4.42Å; L451-F455 HydrophobicContact CG-CE1 4.2Å; L451-F455 HydrophobicContact CG-CE2 4.42Å; L451-F455 HydrophobicContact CG-CZ 4.21Å; L451-F455 WeakPolarHBondContact O-CB 3.34Å; L451-F455 WeakPolarHBondContact O-CD1 3.42Å; L451-F455 WeakPolarHBondContact O-CG 3.43Å; L451-F455 PolarHBondContact O-N 3.1Å; L451-I477 HydrophobicContact CD2-CG1 4.28Å; L451-I480 HydrophobicContact CD1-CD1 4.34Å; L451-I480 HydrophobicContact CD2-CD1 3.95Å
452I98.6Very high95.5Very high2 Ų229.4 Ų29.41%0.0117%0.165CC..Hα-helixtrans-61.6-42.2179.7-71166000111.2A448 D449 L450 F455 H456 L484 M487 A491 K494 L495A448-I452 WeakPolarHBondContact O-CG1 3.36Å; A448-I452 PolarHBondContact O-N 3.14Å; D449-I452 PolarHBondContact O-N 2.87Å; L450-I452 PolarHBondContact O-N 3.48Å; I452-F455 PolarHBondContact O-N 3.3Å; I452-H456 WeakPolarHBondContact O-CB 3.42Å; I452-H456 PolarHBondContact O-N 2.71Å; I452-L484 HydrophobicContact CD1-CD1 4.15Å; I452-M487 HydrophobicContact CD1-SD 3.73Å; I452-A491 HydrophobicContact CB-CB 4.23Å; I452-A491 HydrophobicContact CD1-CB 4.45Å; I452-A491 HydrophobicContact CG2-CB 3.94Å; I452-K494 HydrophobicContact CG2-CB 4.48Å; I452-L495 HydrophobicContact CD1-CD1 4.2Å; I452-L495 HydrophobicContact CG2-CD1 4.45Å; I452-L495 HydrophobicContact CG2-CD2 3.79Å; I452-L495 HydrophobicContact CG2-CG 3.77Å
453I98.1Very high95.3Very high0 Ų022.1 Ų22.10%013%0.127CC..Hα-helixtrans-64.9-45.6179.4-70.3165.3000110.9V440 F443 D449 L450 L451 H456 K457 V490 K494V440-I453 HydrophobicContact CB-CG2 3.98Å; V440-I453 HydrophobicContact CG1-CG2 4.01Å; F443-I453 HydrophobicContact CB-CD1 4.32Å; F443-I453 HydrophobicContact CD1-CD1 3.55Å; F443-I453 HydrophobicContact CD2-CD1 4.22Å; F443-I453 HydrophobicContact CE1-CD1 3.86Å; F443-I453 HydrophobicContact CG-CD1 3.76Å; F443-I453 HydrophobicContact CZ-CD1 4.34Å; D449-I453 WeakPolarHBondContact O-CB 3.27Å; D449-I453 WeakPolarHBondContact O-CD1 3.49Å; D449-I453 WeakPolarHBondContact O-CG1 3.28Å; D449-I453 PolarHBondContact O-N 3.31Å; L450-I453 PolarHBondContact O-N 3.5Å; L451-I453 VanDerWaalsContact C-N 3.34Å; L451-I453 PolarHBondContact O-N 3.17Å; I453-H456 PolarHBondContact O-N 3.39Å; I453-K457 PolarHBondContact O-N 2.85Å; I453-V490 HydrophobicContact CD1-CB 4.46Å; I453-V490 HydrophobicContact CD1-CG1 3.87Å; I453-V490 HydrophobicContact CG1-CG1 4.22Å; I453-K494 HydrophobicContact CG1-CG 4.4Å
454V97.9Very high94.8Very high0 Ų022.7 Ų22.70%015%0.145CC..Hα-helixtrans-64.1-43.4177171.10000110.6L392 L395 N396 M438 V440 L450 L451 H456 K457 L458L392-V454 HydrophobicContact CB-CG2 4.38Å; L392-V454 HydrophobicContact CD2-CB 4.29Å; L392-V454 HydrophobicContact CD2-CG1 4.18Å; L395-V454 HydrophobicContact CB-CG1 4.09Å; N396-V454 HydrophobicContact CB-CG1 4.16Å; N396-V454 HydrophobicContact CB-CG2 4.26Å; M438-V454 HydrophobicContact SD-CG2 3.78Å; V440-V454 HydrophobicContact CG1-CG2 4.15Å; L450-V454 HydrophobicContact CD1-CG2 4.36Å; L450-V454 WeakPolarHBondContact O-CG2 3.3Å; L450-V454 PolarHBondContact O-N 2.81Å; L451-V454 PolarHBondContact O-N 3.41Å; V454-H456 VanDerWaalsContact C-N 3.35Å; V454-H456 PolarHBondContact O-N 2.96Å; V454-K457 PolarHBondContact O-N 2.99Å; V454-K457 VanDerWaalsContact O-N 3.16Å; V454-L458 HydrophobicContact CG1-CD1 4.41Å; V454-L458 WeakPolarHBondContact O-CG 3.09Å; V454-L458 PolarHBondContact O-N 3.23Å
455F98.4Very high94.4Very high0 Ų021.5 Ų21.50%012%0.124CC..Hα-helixtrans-64.8-39.4178.6-80.223.1000112L392 L395 I415 L451 I452 L458 I459 L473 I476 I477L392-F455 HydrophobicContact CD2-CE1 4.15Å; L395-F455 HydrophobicContact CD1-CE1 4.19Å; I415-F455 HydrophobicContact CD1-CE1 3.96Å; I415-F455 HydrophobicContact CD1-CZ 4.02Å; I415-F455 HydrophobicContact CG2-CZ 4.06Å; L451-F455 HydrophobicContact CD2-CD1 4.34Å; L451-F455 HydrophobicContact CD2-CD2 3.8Å; L451-F455 HydrophobicContact CD2-CE1 4.35Å; L451-F455 HydrophobicContact CD2-CE2 3.8Å; L451-F455 HydrophobicContact CD2-CG 4.08Å; L451-F455 HydrophobicContact CD2-CZ 4.09Å; L451-F455 HydrophobicContact CG-CD1 4.42Å; L451-F455 HydrophobicContact CG-CE1 4.2Å; L451-F455 HydrophobicContact CG-CE2 4.42Å; L451-F455 HydrophobicContact CG-CZ 4.21Å; L451-F455 WeakPolarHBondContact O-CB 3.34Å; L451-F455 WeakPolarHBondContact O-CD1 3.42Å; L451-F455 WeakPolarHBondContact O-CG 3.43Å; L451-F455 PolarHBondContact O-N 3.1Å; I452-F455 PolarHBondContact O-N 3.3Å; F455-L458 HydrophobicContact CD1-CD1 4.23Å; F455-L458 PolarHBondContact O-N 3.48Å; F455-I459 VanDerWaalsContact O-CG1 3.3Å; F455-I459 WeakPolarHBondContact O-CG1 3.32Å; F455-I459 PolarHBondContact O-N 3.24Å; F455-L473 HydrophobicContact CB-CD2 4.48Å; F455-L473 HydrophobicContact CD1-CD2 3.82Å; F455-L473 HydrophobicContact CD2-CB 3.99Å; F455-L473 HydrophobicContact CD2-CD2 3.6Å; F455-L473 HydrophobicContact CD2-CG 4.41Å; F455-L473 HydrophobicContact CE1-CD2 3.81Å; F455-L473 HydrophobicContact CE2-CB 4.31Å; F455-L473 HydrophobicContact CE2-CD2 3.59Å; F455-L473 HydrophobicContact CG-CD2 3.72Å; F455-L473 HydrophobicContact CZ-CD2 3.69Å; F455-I476 HydrophobicContact CE2-CB 3.85Å; F455-I476 HydrophobicContact CE2-CD1 3.85Å; F455-I476 HydrophobicContact CE2-CG1 4.47Å; F455-I476 HydrophobicContact CE2-CG2 3.61Å; F455-I476 HydrophobicContact CZ-CD1 3.9Å; F455-I476 HydrophobicContact CZ-CG2 4.07Å; F455-I477 HydrophobicContact CB-CD1 4.31Å; F455-I477 HydrophobicContact CD2-CD1 3.97Å; F455-I477 HydrophobicContact CD2-CG1 3.92Å; F455-I477 HydrophobicContact CE2-CG1 4.48Å
456H98.3Very high94.2Very high12 Ų1220.7 Ų20.76%0.05612%0.115CC..Hα-helixtrans-57.4-49.9170.4169.6-83.9000111.1I452 I453 V454 L458 I459 T460 K494 H497I452-H456 WeakPolarHBondContact O-CB 3.42Å; I452-H456 PolarHBondContact O-N 2.71Å; I453-H456 PolarHBondContact O-N 3.39Å; V454-H456 VanDerWaalsContact C-N 3.35Å; V454-H456 PolarHBondContact O-N 2.96Å; H456-L458 VanDerWaalsContact C-N 3.3Å; H456-L458 PolarHBondContact O-N 3Å; H456-I459 PolarHBondContact O-N 2.87Å; H456-I459 VanDerWaalsContact O-N 3.15Å; H456-T460 PolarHBondContact O-N 2.91Å; H456-T460 PolarHBondContact O-OG1 3.39Å; H456-K494 HydrophobicContact CB-CB 3.86Å; H456-K494 HydrophobicContact CB-CG 4.17Å; H456-K494 PolarHBondContact CD2-O 3.04Å; H456-H497 AromaticContact CD2-ND1 3.78Å; H456-H497 AromaticContact NE2-CE1 3.68Å; H456-H497 AromaticContact NE2-CG 3.8Å; H456-H497 AromaticContact NE2-ND1 3.01Å; H456-H497 PolarHBondContact NE2-ND1 3.47Å
457K97.3Very high93.8Very high32 Ų3223.5 Ų23.514%0.13913%0.128CC..Hα-helixtrans-61.2-36.3178.4-72.3-170.771163.20112.8D439 V440 I453 V454 S461D439-K457 PolarHBondContact O-NZ 2.87Å; D439-K457 IonicContact OD1-NZ 3.94Å; D439-K457 PolarHBondContact OD1-NZ 3.37Å; D439-K457 VanDerWaalsContact OD1-NZ 3.08Å; D439-K457 IonicContact OD2-NZ 3.44Å; D439-K457 PolarHBondContact OD2-NZ 2.94Å; V440-K457 HydrophobicContact CG1-CD 4.47Å; I453-K457 PolarHBondContact O-N 2.85Å; V454-K457 PolarHBondContact O-N 2.99Å; V454-K457 VanDerWaalsContact O-N 3.16Å; K457-S461 WeakPolarHBondContact O-CB 3.37Å; K457-S461 PolarHBondContact O-N 3.48Å; K457-S461 VanDerWaalsContact O-N 3.09Å
458L96.8Very high93.4Very high2 Ų225.9 Ų25.91%0.0115%0.146CC..Hα-helixtrans-63.1-48.3173.5-70.9173.5000111.2L395 R399 V408 V412 V454 F455 H456 S461 L466 L473L395-L458 HydrophobicContact CB-CD1 4.28Å; L395-L458 HydrophobicContact CD1-CD1 4.3Å; L395-L458 WeakPolarHBondContact O-CD2 3.28Å; R399-L458 HydrophobicContact CB-CD2 3.69Å; V408-L458 HydrophobicContact CG1-CD1 4.45Å; V408-L458 HydrophobicContact CG1-CD2 3.91Å; V412-L458 HydrophobicContact CG2-CD1 4.49Å; V454-L458 HydrophobicContact CG1-CD1 4.41Å; V454-L458 WeakPolarHBondContact O-CG 3.09Å; V454-L458 PolarHBondContact O-N 3.23Å; F455-L458 HydrophobicContact CD1-CD1 4.23Å; F455-L458 PolarHBondContact O-N 3.48Å; H456-L458 VanDerWaalsContact C-N 3.3Å; H456-L458 PolarHBondContact O-N 3Å; L458-S461 WeakPolarHBondContact O-CB 3.46Å; L458-S461 PolarHBondContact O-N 3.01Å; L458-S461 PolarHBondContact O-OG 2.88Å; L458-L466 HydrophobicContact CD2-CD1 4.1Å; L458-L473 HydrophobicContact CB-CD1 4.18Å; L458-L473 HydrophobicContact CD1-CD1 4.45Å; L458-L473 HydrophobicContact CD1-CD2 4.02Å
459I95.8Very high93.2Very high3 Ų325.8 Ų25.82%0.01515%0.145CC..Hα-helixtrans-66.7-41.1-177.9-69.8168.4000111.7F455 H456 S461 F470 L473 L474 L498 F502F455-I459 VanDerWaalsContact O-CG1 3.3Å; F455-I459 WeakPolarHBondContact O-CG1 3.32Å; F455-I459 PolarHBondContact O-N 3.24Å; H456-I459 PolarHBondContact O-N 2.87Å; H456-I459 VanDerWaalsContact O-N 3.15Å; I459-S461 VanDerWaalsContact C-N 3.28Å; I459-S461 PolarHBondContact O-N 3.14Å; I459-F470 HydrophobicContact CB-CE1 4.17Å; I459-F470 HydrophobicContact CB-CZ 4.3Å; I459-F470 HydrophobicContact CG1-CD1 3.98Å; I459-F470 HydrophobicContact CG1-CE1 4.09Å; I459-F470 HydrophobicContact CG1-CG 4.46Å; I459-F470 HydrophobicContact CG2-CD2 4.35Å; I459-F470 HydrophobicContact CG2-CE1 4.19Å; I459-F470 HydrophobicContact CG2-CE2 3.96Å; I459-F470 HydrophobicContact CG2-CZ 3.89Å; I459-F470 WeakPolarHBondContact O-CZ 3.25Å; I459-L473 HydrophobicContact CD1-CB 4.26Å; I459-L473 HydrophobicContact CD1-CD1 4.25Å; I459-L473 HydrophobicContact CG1-CD1 3.7Å; I459-L474 HydrophobicContact CD1-CD2 4.11Å; I459-L498 HydrophobicContact CB-CD2 4.09Å; I459-L498 HydrophobicContact CD1-CD1 3.83Å; I459-L498 HydrophobicContact CD1-CD2 4.4Å; I459-L498 HydrophobicContact CG2-CD2 3.63Å; I459-F502 HydrophobicContact CG2-CE1 4.28Å; I459-F502 HydrophobicContact CG2-CE2 4.02Å; I459-F502 HydrophobicContact CG2-CZ 3.38Å
460T94.5Very high93Very high44 Ų4426 Ų2627%0.2715%0.146SC..THydrogen-bonded Turntrans-86.73.7-18063.70000113.5H456 L498H456-T460 PolarHBondContact O-N 2.91Å; H456-T460 PolarHBondContact O-OG1 3.39Å; T460-L498 HydrophobicContact CG2-CD2 4.12Å
461S91.2Very high92.9Very high12 Ų1228.1 Ų28.18%0.08416%0.158CC..SBendtrans-66.1154.1174.772.40000110.7K457 L458 I459 N463K457-S461 WeakPolarHBondContact O-CB 3.37Å; K457-S461 PolarHBondContact O-N 3.48Å; K457-S461 VanDerWaalsContact O-N 3.09Å; L458-S461 WeakPolarHBondContact O-CB 3.46Å; L458-S461 PolarHBondContact O-N 3.01Å; L458-S461 PolarHBondContact O-OG 2.88Å; I459-S461 VanDerWaalsContact C-N 3.28Å; I459-S461 PolarHBondContact O-N 3.14Å; S461-N463 PolarHBondContact O-N 3.3Å; S461-N463 VanDerWaalsContact O-N 3.12Å; S461-N463 PolarHBondContact OG-N 3.31Å
462N82.9Confident92.7Very high126 Ų12628.4 Ų28.467%0.67416%0.159SC*.SBendtrans-78.615.5175.3-15830.1000112.7G464N462-G464 PolarHBondContact O-N 3.44Å
463N85Confident92.7Very high5 Ų528.3 Ų28.33%0.02716%0.159CC..  trans-91.896.7-176.6-173.7-8.2000110.7R399 S461 R465 L466R399-N463 PolarHBondContact O-ND2 3.03Å; S461-N463 PolarHBondContact O-N 3.3Å; S461-N463 VanDerWaalsContact O-N 3.12Å; S461-N463 PolarHBondContact OG-N 3.31Å; N463-R465 PolarHBondContact O-N 2.73Å; N463-R465 VanDerWaalsContact O-N 3.11Å; N463-R465 WeakPolarHBondContact OD1-CB 3.41Å; N463-R465 PolarHBondContact OD1-N 3.46Å; N463-R465 VanDerWaalsContact OD1-N 3.15Å; N463-L466 HydrophobicContact CB-CD1 4.03Å; N463-L466 HydrophobicContact CB-CG 3.95Å; N463-L466 WeakPolarHBondContact O-CB 3.38Å; N463-L466 PolarHBondContact O-N 3.09Å
464G83.3Confident92.7Very high53 Ų5328.3 Ų28.355%0.54616%0.159SC..G310 helixtrans-57.8-24.718000000114.7N462 L466 Q467N462-G464 PolarHBondContact O-N 3.44Å; G464-L466 PolarHBondContact O-N 2.9Å; G464-Q467 WeakPolarHBondContact O-CB 3.45Å; G464-Q467 VanDerWaalsContact O-CG 3.3Å; G464-Q467 WeakPolarHBondContact O-CG 3.21Å; G464-Q467 PolarHBondContact O-N 3.16Å
465R84.4Confident92.6Very high115 Ų11528.4 Ų28.443%0.43416%0.159SC..G310 helixtrans-68-25.2177.4-62-174.1176.3-173.9-1.4112.4T405 N463 Q467 S468T405-R465 HydrophobicContact CG2-CB 3.91Å; N463-R465 PolarHBondContact O-N 2.73Å; N463-R465 VanDerWaalsContact O-N 3.11Å; N463-R465 WeakPolarHBondContact OD1-CB 3.41Å; N463-R465 PolarHBondContact OD1-N 3.46Å; N463-R465 VanDerWaalsContact OD1-N 3.15Å; R465-Q467 VanDerWaalsContact C-N 3.3Å; R465-Q467 PolarHBondContact O-N 2.85Å; R465-S468 PolarHBondContact O-OG 3.47Å
466L88.8Confident92.6Very high2 Ų228.4 Ų28.41%0.0116%0.159CC..G310 helixtrans-77.5-11.7179.4-58.1-172.4000113.8T405 V408 L458 N463 G464 S468 L469 F470T405-L466 HydrophobicContact CG2-CD2 4.25Å; V408-L466 HydrophobicContact CB-CD2 4.02Å; V408-L466 HydrophobicContact CG1-CD1 4.45Å; V408-L466 HydrophobicContact CG1-CD2 3.73Å; V408-L466 HydrophobicContact CG2-CD2 4.29Å; L458-L466 HydrophobicContact CD2-CD1 4.1Å; N463-L466 HydrophobicContact CB-CD1 4.03Å; N463-L466 HydrophobicContact CB-CG 3.95Å; N463-L466 WeakPolarHBondContact O-CB 3.38Å; N463-L466 PolarHBondContact O-N 3.09Å; G464-L466 PolarHBondContact O-N 2.9Å; L466-S468 PolarHBondContact O-N 3.16Å; L466-S468 VanDerWaalsContact O-N 3.15Å; L466-L469 HydrophobicContact CD2-CD1 4.17Å; L466-L469 WeakPolarHBondContact O-CB 3.15Å; L466-L469 PolarHBondContact O-N 3.41Å; L466-F470 HydrophobicContact CB-CE1 4.47Å; L466-F470 WeakPolarHBondContact O-CD1 3.45Å; L466-F470 WeakPolarHBondContact O-CE1 3.48Å
467Q89.2Confident92.6Very high66 Ų6627.9 Ų27.931%0.30816%0.157SC..G310 helixtrans-55.5-32.9175.5-66.6-74.9-37.900111.8G464 R465 L469 F470G464-Q467 WeakPolarHBondContact O-CB 3.45Å; G464-Q467 VanDerWaalsContact O-CG 3.3Å; G464-Q467 WeakPolarHBondContact O-CG 3.21Å; G464-Q467 PolarHBondContact O-N 3.16Å; R465-Q467 VanDerWaalsContact C-N 3.3Å; R465-Q467 PolarHBondContact O-N 2.85Å; Q467-L469 PolarHBondContact O-N 3.21Å; Q467-F470 VanDerWaalsContact CD-CZ 3.41Å; Q467-F470 HydrophobicContact CG-CE2 4.35Å; Q467-F470 HydrophobicContact CG-CZ 4.24Å; Q467-F470 PolarHBondContact O-N 2.84Å
468S89.2Confident92.7Very high64 Ų6426.3 Ų26.345%0.44815%0.15SC..G310 helixtrans-62.4-19.7176.262.30000114.1H409 R465 L466H409-S468 PolarHBondContact NE2-OG 3.21Å; R465-S468 PolarHBondContact O-OG 3.47Å; L466-S468 PolarHBondContact O-N 3.16Å; L466-S468 VanDerWaalsContact O-N 3.15Å
469L92.9Very high92.8Very high2 Ų226.2 Ų26.21%0.0115%0.15CC..G310 helixtrans-95.4-7.8179.8-68.9176000113.6V408 H409 V412 F413 L466 Q467 D471 C472 L473V408-L469 HydrophobicContact CG1-CD1 3.79Å; H409-L469 VanDerWaalsContact CD2-CD2 3.4Å; H409-L469 WeakPolarHBondContact CD2-CD2 3.21Å; V412-L469 HydrophobicContact CB-CD2 4.47Å; V412-L469 HydrophobicContact CG1-CD2 4.16Å; V412-L469 HydrophobicContact CG2-CD1 4.26Å; F413-L469 HydrophobicContact CE1-CD2 4.21Å; L466-L469 HydrophobicContact CD2-CD1 4.17Å; L466-L469 WeakPolarHBondContact O-CB 3.15Å; L466-L469 PolarHBondContact O-N 3.41Å; Q467-L469 PolarHBondContact O-N 3.21Å; L469-D471 PolarHBondContact O-N 3.46Å; L469-C472 WeakPolarHBondContact O-CA 3.38Å; L469-C472 WeakPolarHBondContact O-CB 3.39Å; L469-C472 PolarHBondContact O-N 3.5Å; L469-L473 HydrophobicContact CB-CD1 4.26Å; L469-L473 HydrophobicContact CB-CG 4.36Å; L469-L473 WeakPolarHBondContact O-CG 3.25Å; L469-L473 PolarHBondContact O-N 3.32Å
470F95.4Very high92.9Very high4 Ų426.1 Ų26.12%0.01815%0.149CC..Hα-helixtrans-60.4-45.1-171.1-73.89.3000112.4I459 L466 Q467 C472 L473 L474 F502 L517I459-F470 HydrophobicContact CB-CE1 4.17Å; I459-F470 HydrophobicContact CB-CZ 4.3Å; I459-F470 HydrophobicContact CG1-CD1 3.98Å; I459-F470 HydrophobicContact CG1-CE1 4.09Å; I459-F470 HydrophobicContact CG1-CG 4.46Å; I459-F470 HydrophobicContact CG2-CD2 4.35Å; I459-F470 HydrophobicContact CG2-CE1 4.19Å; I459-F470 HydrophobicContact CG2-CE2 3.96Å; I459-F470 HydrophobicContact CG2-CZ 3.89Å; I459-F470 WeakPolarHBondContact O-CZ 3.25Å; L466-F470 HydrophobicContact CB-CE1 4.47Å; L466-F470 WeakPolarHBondContact O-CD1 3.45Å; L466-F470 WeakPolarHBondContact O-CE1 3.48Å; Q467-F470 VanDerWaalsContact CD-CZ 3.41Å; Q467-F470 HydrophobicContact CG-CE2 4.35Å; Q467-F470 HydrophobicContact CG-CZ 4.24Å; Q467-F470 PolarHBondContact O-N 2.84Å; F470-C472 VanDerWaalsContact C-N 3.26Å; F470-C472 PolarHBondContact O-N 2.85Å; F470-L473 HydrophobicContact CD1-CD1 4.48Å; F470-L473 PolarHBondContact O-N 3.42Å; F470-L474 WeakPolarHBondContact O-CG 3.2Å; F470-L474 PolarHBondContact O-N 3.16Å; F470-F502 HydrophobicContact CD2-CE1 4.15Å; F470-F502 AromaticContact CD2-CZ 3.78Å; F470-F502 HydrophobicContact CD2-CZ 3.78Å; F470-F502 HydrophobicContact CE2-CE1 4.09Å; F470-F502 AromaticContact CE2-CZ 3.95Å; F470-F502 HydrophobicContact CE2-CZ 3.95Å; F470-L517 HydrophobicContact CB-CD1 4.4Å; F470-L517 HydrophobicContact CB-CD2 3.87Å; F470-L517 HydrophobicContact CD2-CD1 4.17Å
471D93.8Very high93Very high47 Ų4724 Ų2425%0.25114%0.136SC..Hα-helixtrans-59-39.9175.2-69.2-7.1000111.6L469 T475 L517 F520 I619L469-D471 PolarHBondContact O-N 3.46Å; D471-T475 WeakPolarHBondContact O-CB 3.36Å; D471-T475 PolarHBondContact O-N 3.03Å; D471-T475 PolarHBondContact O-OG1 2.7Å; D471-L517 WeakPolarHBondContact OD1-CD2 3.48Å; D471-F520 HydrophobicContact CB-CE2 4.13Å; D471-I619 HydrophobicContact CB-CB 4.32Å; D471-I619 HydrophobicContact CB-CG2 3.75Å
472C95.3Very high93.4Very high5 Ų523.6 Ų23.63%0.03413%0.133CC..Hα-helixtrans-69.1-47.3179.9-172.70000111.7V412 L469 F470 L474 T475 I476 I619V412-C472 HydrophobicContact CG1-CB 4.26Å; V412-C472 VanDerWaalsContact CG1-SG 3.58Å; L469-C472 WeakPolarHBondContact O-CA 3.38Å; L469-C472 WeakPolarHBondContact O-CB 3.39Å; L469-C472 PolarHBondContact O-N 3.5Å; F470-C472 VanDerWaalsContact C-N 3.26Å; F470-C472 PolarHBondContact O-N 2.85Å; C472-L474 VanDerWaalsContact C-N 3.35Å; C472-L474 PolarHBondContact O-N 3.37Å; C472-T475 WeakPolarHBondContact O-CB 3.39Å; C472-T475 PolarHBondContact O-N 2.95Å; C472-I476 WeakPolarHBondContact O-CG1 3.4Å; C472-I476 PolarHBondContact O-N 3Å; C472-I619 HydrophobicContact CB-CD1 4.07Å
473L97.8Very high94.1Very high1 Ų119 Ų191%0.00511%0.107CC..Hα-helixtrans-58.3-45.9176.9-69.4169.9000111.3V412 F455 L458 I459 L469 F470 I476 I477V412-L473 HydrophobicContact CB-CD2 4.48Å; V412-L473 HydrophobicContact CG1-CD2 3.99Å; V412-L473 HydrophobicContact CG1-CG 4.42Å; V412-L473 HydrophobicContact CG2-CD2 3.59Å; F455-L473 HydrophobicContact CB-CD2 4.48Å; F455-L473 HydrophobicContact CD1-CD2 3.82Å; F455-L473 HydrophobicContact CD2-CB 3.99Å; F455-L473 HydrophobicContact CD2-CD2 3.6Å; F455-L473 HydrophobicContact CD2-CG 4.41Å; F455-L473 HydrophobicContact CE1-CD2 3.81Å; F455-L473 HydrophobicContact CE2-CB 4.31Å; F455-L473 HydrophobicContact CE2-CD2 3.59Å; F455-L473 HydrophobicContact CG-CD2 3.72Å; F455-L473 HydrophobicContact CZ-CD2 3.69Å; L458-L473 HydrophobicContact CB-CD1 4.18Å; L458-L473 HydrophobicContact CD1-CD1 4.45Å; L458-L473 HydrophobicContact CD1-CD2 4.02Å; I459-L473 HydrophobicContact CD1-CB 4.26Å; I459-L473 HydrophobicContact CD1-CD1 4.25Å; I459-L473 HydrophobicContact CG1-CD1 3.7Å; L469-L473 HydrophobicContact CB-CD1 4.26Å; L469-L473 HydrophobicContact CB-CG 4.36Å; L469-L473 WeakPolarHBondContact O-CG 3.25Å; L469-L473 PolarHBondContact O-N 3.32Å; F470-L473 HydrophobicContact CD1-CD1 4.48Å; F470-L473 PolarHBondContact O-N 3.42Å; L473-I476 PolarHBondContact O-N 3.19Å; L473-I477 WeakPolarHBondContact O-CG1 3.43Å; L473-I477 PolarHBondContact O-N 2.87Å
474L97.9Very high94.7Very high0 Ų018.8 Ų18.80%011%0.106CC..Hα-helixtrans-70.7-36.9177.3-65.1-175.7000112I459 F470 C472 I476 I477 V478 L498 F502 L517 F520 L521I459-L474 HydrophobicContact CD1-CD2 4.11Å; F470-L474 WeakPolarHBondContact O-CG 3.2Å; F470-L474 PolarHBondContact O-N 3.16Å; C472-L474 VanDerWaalsContact C-N 3.35Å; C472-L474 PolarHBondContact O-N 3.37Å; L474-I476 VanDerWaalsContact C-N 3.3Å; L474-I476 PolarHBondContact O-N 2.87Å; L474-I477 HydrophobicContact CD2-CD1 4.4Å; L474-I477 PolarHBondContact O-N 3.43Å; L474-I477 VanDerWaalsContact O-N 3.12Å; L474-V478 VanDerWaalsContact O-CG2 3.24Å; L474-V478 WeakPolarHBondContact O-CG2 3.33Å; L474-V478 PolarHBondContact O-N 2.84Å; L474-L498 HydrophobicContact CD2-CD1 4.26Å; L474-F502 HydrophobicContact CD1-CE2 4.31Å; L474-L517 HydrophobicContact CD1-CB 3.83Å; L474-L517 HydrophobicContact CD1-CD2 3.67Å; L474-L517 HydrophobicContact CD1-CG 4.32Å; L474-F520 HydrophobicContact CB-CB 3.72Å; L474-F520 HydrophobicContact CB-CD2 4.02Å; L474-F520 HydrophobicContact CB-CG 4.07Å; L474-F520 HydrophobicContact CD1-CB 4.1Å; L474-F520 HydrophobicContact CD1-CD2 4.33Å; L474-L521 HydrophobicContact CD1-CG 4.23Å; L474-L521 HydrophobicContact CD2-CD2 3.95Å; L474-L521 HydrophobicContact CD2-CG 4.3Å
475T97.1Very high95.3Very high1 Ų122 Ų221%0.00611%0.105CC..Hα-helixtrans-57.9-42173.5-68.80000111.8L416 D471 C472 V478 N479 I619 R722L416-T475 HydrophobicContact CD1-CG2 4.01Å; D471-T475 WeakPolarHBondContact O-CB 3.36Å; D471-T475 PolarHBondContact O-N 3.03Å; D471-T475 PolarHBondContact O-OG1 2.7Å; C472-T475 WeakPolarHBondContact O-CB 3.39Å; C472-T475 PolarHBondContact O-N 2.95Å; T475-V478 WeakPolarHBondContact O-CB 3.44Å; T475-V478 PolarHBondContact O-N 3.47Å; T475-N479 PolarHBondContact O-N 3.28Å; T475-I619 HydrophobicContact CG2-CD1 4.39Å; T475-I619 HydrophobicContact CG2-CG1 4.34Å; T475-R722 HydrophobicContact CG2-CB 3.84Å; T475-R722 HydrophobicContact CG2-CG 4.4Å
476I98.3Very high95.9Very high0 Ų019 Ų190%010%0.101CC..Hα-helixtrans-59.8-47.2173.9-71161.7000110.8V412 I415 L416 F455 C472 L473 L474 V478 N479 I480V412-I476 HydrophobicContact CG1-CD1 3.99Å; I415-I476 HydrophobicContact CB-CD1 4.17Å; I415-I476 HydrophobicContact CG2-CD1 4.03Å; I415-I476 HydrophobicContact CG2-CG1 4.44Å; I415-I476 HydrophobicContact CG2-CG2 3.64Å; L416-I476 HydrophobicContact CB-CD1 4.06Å; L416-I476 HydrophobicContact CB-CG1 4.05Å; L416-I476 HydrophobicContact CD1-CG1 3.9Å; F455-I476 HydrophobicContact CE2-CB 3.85Å; F455-I476 HydrophobicContact CE2-CD1 3.85Å; F455-I476 HydrophobicContact CE2-CG1 4.47Å; F455-I476 HydrophobicContact CE2-CG2 3.61Å; F455-I476 HydrophobicContact CZ-CD1 3.9Å; F455-I476 HydrophobicContact CZ-CG2 4.07Å; C472-I476 WeakPolarHBondContact O-CG1 3.4Å; C472-I476 PolarHBondContact O-N 3Å; L473-I476 PolarHBondContact O-N 3.19Å; L474-I476 VanDerWaalsContact C-N 3.3Å; L474-I476 PolarHBondContact O-N 2.87Å; I476-V478 VanDerWaalsContact C-N 3.3Å; I476-V478 PolarHBondContact O-N 2.85Å; I476-N479 WeakPolarHBondContact O-CB 3.46Å; I476-N479 PolarHBondContact O-N 2.93Å; I476-I480 PolarHBondContact O-N 3.16Å; I476-I480 VanDerWaalsContact O-N 3.12Å
477I98.4Very high96.2Very high1 Ų119.2 Ų19.21%0.00510%0.102CC..Hα-helixtrans-64.2-39.4179.7-59.9171.7000110.1L451 F455 L473 L474 I480 S481 L495 I524L451-I477 HydrophobicContact CD2-CG1 4.28Å; F455-I477 HydrophobicContact CB-CD1 4.31Å; F455-I477 HydrophobicContact CD2-CD1 3.97Å; F455-I477 HydrophobicContact CD2-CG1 3.92Å; F455-I477 HydrophobicContact CE2-CG1 4.48Å; L473-I477 WeakPolarHBondContact O-CG1 3.43Å; L473-I477 PolarHBondContact O-N 2.87Å; L474-I477 HydrophobicContact CD2-CD1 4.4Å; L474-I477 PolarHBondContact O-N 3.43Å; L474-I477 VanDerWaalsContact O-N 3.12Å; I477-I480 VanDerWaalsContact O-CG1 3.31Å; I477-I480 WeakPolarHBondContact O-CG1 3.34Å; I477-I480 PolarHBondContact O-N 3.3Å; I477-S481 VanDerWaalsContact O-CB 3.22Å; I477-S481 WeakPolarHBondContact O-CB 3.4Å; I477-S481 PolarHBondContact O-N 3.44Å; I477-L495 HydrophobicContact CD1-CD2 4.13Å; I477-L495 HydrophobicContact CG2-CD2 4.32Å; I477-I524 HydrophobicContact CB-CD1 3.68Å; I477-I524 HydrophobicContact CB-CG1 4.3Å; I477-I524 HydrophobicContact CG2-CD1 3.44Å; I477-I524 VanDerWaalsContact CG2-CD1 3.44Å; I477-I524 HydrophobicContact CG2-CG1 3.81Å; I477-I524 HydrophobicContact CG2-CG2 3.94Å
478V98.4Very high96.5Very high0 Ų016.6 Ų16.60%09%0.091CC..Hα-helixtrans-58.7-48.3173.41760000110.8L474 T475 I476 I480 S481 P482 F520 E523 I524L474-V478 VanDerWaalsContact O-CG2 3.24Å; L474-V478 WeakPolarHBondContact O-CG2 3.33Å; L474-V478 PolarHBondContact O-N 2.84Å; T475-V478 WeakPolarHBondContact O-CB 3.44Å; T475-V478 PolarHBondContact O-N 3.47Å; I476-V478 VanDerWaalsContact C-N 3.3Å; I476-V478 PolarHBondContact O-N 2.85Å; V478-I480 VanDerWaalsContact C-N 3.3Å; V478-I480 PolarHBondContact O-N 3.49Å; V478-S481 PolarHBondContact O-N 2.93Å; V478-S481 PolarHBondContact O-OG 2.88Å; V478-P482 WeakPolarHBondContact O-CD 3.14Å; V478-F520 HydrophobicContact CG2-CB 3.9Å; V478-F520 HydrophobicContact CG2-CD1 3.98Å; V478-F520 HydrophobicContact CG2-CG 4.37Å; V478-F520 WeakPolarHBondContact CG2-O 3.49Å; V478-E523 VanDerWaalsContact CG1-CD 3.47Å; V478-E523 HydrophobicContact CG1-CG 3.91Å; V478-E523 WeakPolarHBondContact CG1-OE1 3.48Å; V478-I524 HydrophobicContact CB-CG1 4.25Å; V478-I524 HydrophobicContact CG2-CD1 3.92Å; V478-I524 HydrophobicContact CG2-CG1 3.56Å
479N98.2Very high96.9Very high0 Ų015.8 Ų15.80%08%0.081CC..Hα-helixtrans-58.6-38.6179.7-76.2-12.1000113S419 T475 I476 Y483 I721 R722S419-N479 WeakPolarHBondContact O-CB 3.47Å; S419-N479 PolarHBondContact OG-ND2 3.34Å; T475-N479 PolarHBondContact O-N 3.28Å; I476-N479 WeakPolarHBondContact O-CB 3.46Å; I476-N479 PolarHBondContact O-N 2.93Å; N479-Y483 WeakPolarHBondContact O-CE2 3.22Å; N479-I721 WeakPolarHBondContact O-CD1 3.44Å; N479-R722 PolarHBondContact ND2-O 2.82Å; N479-R722 PolarHBondContact OD1-N 3.41Å
480I98.2Very high97.1Very high1 Ų117.6 Ų17.61%0.0059%0.092CC..Hα-helixtrans-86.5-22.8-17967.5176.6000113.3F424 L428 L451 I476 I477 V478 Y483 L484F424-I480 HydrophobicContact CD1-CG2 3.92Å; F424-I480 HydrophobicContact CE1-CG2 4.07Å; L428-I480 HydrophobicContact CD1-CB 4.03Å; L428-I480 HydrophobicContact CD1-CD1 3.67Å; L428-I480 HydrophobicContact CD1-CG1 4.42Å; L428-I480 HydrophobicContact CD1-CG2 3.79Å; L451-I480 HydrophobicContact CD1-CD1 4.34Å; L451-I480 HydrophobicContact CD2-CD1 3.95Å; I476-I480 PolarHBondContact O-N 3.16Å; I476-I480 VanDerWaalsContact O-N 3.12Å; I477-I480 VanDerWaalsContact O-CG1 3.31Å; I477-I480 WeakPolarHBondContact O-CG1 3.34Å; I477-I480 PolarHBondContact O-N 3.3Å; V478-I480 VanDerWaalsContact C-N 3.3Å; V478-I480 PolarHBondContact O-N 3.49Å; I480-Y483 WeakPolarHBondContact O-CB 3.39Å; I480-Y483 PolarHBondContact O-N 3.34Å; I480-L484 HydrophobicContact CB-CD2 4.47Å; I480-L484 HydrophobicContact CD1-CD2 4.27Å; I480-L484 HydrophobicContact CG1-CD2 4.27Å
481S98.3Very high97.2Very high0 Ų017.4 Ų17.40%09%0.091CC..G310 helixtrans-53.1-37.2-172.862.70000115.8I477 V478 Y483 L484 N527I477-S481 VanDerWaalsContact O-CB 3.22Å; I477-S481 WeakPolarHBondContact O-CB 3.4Å; I477-S481 PolarHBondContact O-N 3.44Å; V478-S481 PolarHBondContact O-N 2.93Å; V478-S481 PolarHBondContact O-OG 2.88Å; S481-Y483 PolarHBondContact O-N 2.99Å; S481-Y483 VanDerWaalsContact O-N 3.13Å; S481-L484 PolarHBondContact O-N 2.89Å; S481-N527 WeakPolarHBondContact OG-CB 3.39Å; S481-N527 PolarHBondContact OG-ND2 3.01Å
482P97.7Very high97.4Very high3 Ų315.2 Ų15.22%0.0198%0.079CC..G310 helixtrans-68.8-10.2177.2-14.529.3000113.8V478 N527 Y531 Q532 I719V478-P482 WeakPolarHBondContact O-CD 3.14Å; P482-N527 HydrophobicContact CG-CB 4.15Å; P482-Y531 HydrophobicContact CB-CD2 4.36Å; P482-Q532 WeakPolarHBondContact O-CG 3.32Å; P482-Q532 PolarHBondContact O-NE2 3.41Å; P482-I719 HydrophobicContact CB-CD1 3.71Å; P482-I719 HydrophobicContact CB-CG1 4.05Å; P482-I719 HydrophobicContact CB-CG2 4.14Å; P482-I719 HydrophobicContact CG-CB 4.5Å; P482-I719 HydrophobicContact CG-CD1 4.33Å; P482-I719 HydrophobicContact CG-CG1 4.18Å; P482-I719 HydrophobicContact CG-CG2 3.58Å
483Y97.6Very high97.5Very high28 Ų2818.3 Ų18.311%0.1110%0.096CC..G310 helixtrans-111.4-2.3-175.8-49.2-66.6000113.3R422 V426 N429 N479 I480 S481 K485 I721R422-Y483 HydrophobicContact CB-CE1 4.37Å; R422-Y483 HydrophobicContact CG-CD1 4.31Å; R422-Y483 HydrophobicContact CG-CE1 3.67Å; V426-Y483 HydrophobicContact CG2-CD1 4.35Å; N429-Y483 PolarHBondContact ND2-O 2.89Å; N429-Y483 PolarHBondContact OD1-O 3.11Å; N479-Y483 WeakPolarHBondContact O-CE2 3.22Å; I480-Y483 WeakPolarHBondContact O-CB 3.39Å; I480-Y483 PolarHBondContact O-N 3.34Å; S481-Y483 PolarHBondContact O-N 2.99Å; S481-Y483 VanDerWaalsContact O-N 3.13Å; Y483-K485 PolarHBondContact O-N 3.28Å; Y483-K485 VanDerWaalsContact O-N 3.1Å; Y483-I721 HydrophobicContact CE2-CD1 4.11Å
484L98Very high97.6Very high1 Ų120.9 Ų20.91%0.00511%0.107CC..  trans-7792.9-178.8-60.2-174.1000110.6A448 I452 I480 S481 S486 I528 Q532 N536A448-L484 HydrophobicContact CB-CD2 3.43Å; A448-L484 VanDerWaalsContact CB-CD2 3.43Å; I452-L484 HydrophobicContact CD1-CD1 4.15Å; I480-L484 HydrophobicContact CB-CD2 4.47Å; I480-L484 HydrophobicContact CD1-CD2 4.27Å; I480-L484 HydrophobicContact CG1-CD2 4.27Å; S481-L484 PolarHBondContact O-N 2.89Å; L484-S486 PolarHBondContact O-N 2.98Å; L484-I528 HydrophobicContact CD1-CD1 4.16Å; L484-Q532 WeakPolarHBondContact O-CB 3.45Å; L484-Q532 WeakPolarHBondContact O-CG 3.43Å; L484-N536 PolarHBondContact O-ND2 2.99Å
485K97.3Very high97.6Very high122 Ų12221 Ų2153%0.5311%0.107SC..  trans-66.4-37.1-176.2-68.1-175175.4-174.10112.9N429 Y483 G535 N536N429-K485 WeakPolarHBondContact OD1-CB 3.28Å; N429-K485 PolarHBondContact OD1-N 2.94Å; Y483-K485 PolarHBondContact O-N 3.28Å; Y483-K485 VanDerWaalsContact O-N 3.1Å; K485-G535 CarbonylContact O-C 3.58Å; K485-G535 VanDerWaalsContact O-C 3.28Å; K485-G535 WeakPolarHBondContact O-CA 3.02Å; K485-N536 PolarHBondContact O-ND2 3.34Å
486S95.6Very high97.6Very high52 Ų5221 Ų2136%0.36411%0.107SC..  trans-148.1147.4176.2610000110.4L484 G535L484-S486 PolarHBondContact O-N 2.98Å; S486-G535 WeakPolarHBondContact CA-O 3.46Å; S486-G535 WeakPolarHBondContact CB-O 3.32Å
487M95.9Very high97.6Very high6 Ų623.6 Ų23.63%0.0312%0.119CC..  trans-132.8139.5178.3-174.3168.249.800109.4D449 I452 A491 A492 L495 I528 N536 N538 L539D449-M487 WeakPolarHBondContact OD1-CG 3.3Å; I452-M487 HydrophobicContact CD1-SD 3.73Å; M487-A491 HydrophobicContact CG-CB 3.58Å; M487-A491 HydrophobicContact SD-CB 3.85Å; M487-A492 HydrophobicContact CE-CB 3.9Å; M487-L495 HydrophobicContact CE-CD1 4.07Å; M487-L495 HydrophobicContact SD-CD1 3.82Å; M487-I528 HydrophobicContact CE-CD1 4.38Å; M487-N536 WeakPolarHBondContact CB-OD1 3.5Å; M487-N536 PolarHBondContact N-OD1 3.36Å; M487-N538 WeakPolarHBondContact O-CB 3.27Å; M487-N538 PolarHBondContact O-ND2 2.89Å; M487-L539 HydrophobicContact CE-CB 3.6Å; M487-L539 HydrophobicContact CE-CD1 3.67Å; M487-L539 HydrophobicContact CE-CD2 3.73Å; M487-L539 HydrophobicContact CE-CG 3.83Å
488S96.1Very high97.6Very high11 Ų1123.7 Ų23.78%0.07712%0.12CC..  trans-65.9155.817468.30000111.5D449 V490 A491 A492D449-S488 WeakPolarHBondContact OD1-CA 3.25Å; D449-S488 WeakPolarHBondContact OD1-CB 3.35Å; D449-S488 PolarHBondContact OD1-N 3.17Å; D449-S488 PolarHBondContact OD1-OG 3.1Å; S488-V490 PolarHBondContact O-N 3.13Å; S488-A491 PolarHBondContact O-N 3.41Å; S488-A491 WeakPolarHBondContact OG-CB 3.39Å; S488-A491 PolarHBondContact OG-N 3.12Å; S488-A491 VanDerWaalsContact OG-N 3.15Å; S488-A492 WeakPolarHBondContact O-CB 3.32Å; S488-A492 PolarHBondContact O-N 3.4Å
489M95.9Very high97.6Very high46 Ų4623.7 Ų23.723%0.22712%0.12CC..Hα-helixtrans-58.4-34.4172.9-170.559.671.200112N493 N538 Y541 T542 L701M489-N493 WeakPolarHBondContact O-CB 3.42Å; M489-N493 PolarHBondContact O-N 3.2Å; M489-N493 PolarHBondContact O-ND2 3.41Å; M489-N538 HydrophobicContact CE-CB 4.05Å; M489-N538 WeakPolarHBondContact CE-OD1 3.15Å; M489-N538 HydrophobicContact SD-CB 4.5Å; M489-Y541 HydrophobicContact CE-CD1 3.56Å; M489-Y541 HydrophobicContact CE-CE1 4.15Å; M489-Y541 HydrophobicContact SD-CD1 4.2Å; M489-T542 PolarHBondContact SD-OG1 3.29Å; M489-L701 HydrophobicContact CE-CD1 4.17Å; M489-L701 HydrophobicContact CE-CD2 4.17Å
490V97.5Very high97.6Very high41 Ų4127.1 Ų27.125%0.24814%0.136CC..Hα-helixtrans-64.3-53.8179.1-1790000110.3P441 F443 I453 S488 A492 N493 K494P441-V490 HydrophobicContact CB-CG1 4.41Å; F443-V490 HydrophobicContact CB-CB 4.21Å; F443-V490 HydrophobicContact CB-CG2 4.02Å; I453-V490 HydrophobicContact CD1-CB 4.46Å; I453-V490 HydrophobicContact CD1-CG1 3.87Å; I453-V490 HydrophobicContact CG1-CG1 4.22Å; S488-V490 PolarHBondContact O-N 3.13Å; V490-A492 VanDerWaalsContact C-N 3.35Å; V490-A492 PolarHBondContact O-N 2.89Å; V490-N493 PolarHBondContact O-N 3.27Å; V490-K494 WeakPolarHBondContact O-CG 3.26Å; V490-K494 PolarHBondContact O-N 3.3Å
491A97.9Very high97.4Very high0 Ų028.3 Ų28.30%014%0.143CC..Hα-helixtrans-63.6-39.1179.400000112.3D449 I452 M487 S488 N493 K494 L495D449-A491 HydrophobicContact CB-CB 4.15Å; D449-A491 WeakPolarHBondContact OD1-CB 3.47Å; I452-A491 HydrophobicContact CB-CB 4.23Å; I452-A491 HydrophobicContact CD1-CB 4.45Å; I452-A491 HydrophobicContact CG2-CB 3.94Å; M487-A491 HydrophobicContact CG-CB 3.58Å; M487-A491 HydrophobicContact SD-CB 3.85Å; S488-A491 PolarHBondContact O-N 3.41Å; S488-A491 WeakPolarHBondContact OG-CB 3.39Å; S488-A491 PolarHBondContact OG-N 3.12Å; S488-A491 VanDerWaalsContact OG-N 3.15Å; A491-N493 PolarHBondContact O-N 2.8Å; A491-K494 PolarHBondContact O-N 2.8Å; A491-K494 VanDerWaalsContact O-N 3.17Å; A491-L495 PolarHBondContact O-N 3.45Å
492A98.1Very high97.3Very high0 Ų028.5 Ų28.50%014%0.144CC..Hα-helixtrans-57.5-48.7173.600000112.2M487 S488 V490 K494 L495 L496 L539M487-A492 HydrophobicContact CE-CB 3.9Å; S488-A492 WeakPolarHBondContact O-CB 3.32Å; S488-A492 PolarHBondContact O-N 3.4Å; V490-A492 VanDerWaalsContact C-N 3.35Å; V490-A492 PolarHBondContact O-N 2.89Å; A492-K494 VanDerWaalsContact C-N 3.31Å; A492-K494 PolarHBondContact O-N 3.38Å; A492-L495 PolarHBondContact O-N 3.16Å; A492-L496 WeakPolarHBondContact O-CD2 3.37Å; A492-L496 PolarHBondContact O-N 3.07Å; A492-L496 VanDerWaalsContact O-N 3.07Å; A492-L539 HydrophobicContact CB-CB 4.38Å; A492-L539 HydrophobicContact CB-CD1 4.25Å
493N98.1Very high97.2Very high70 Ų7029 Ų2937%0.37415%0.148SC..Hα-helixtrans-62.2-37.5175.6-78.2-43.6000112.3M489 V490 A491 L496 H497 T542M489-N493 WeakPolarHBondContact O-CB 3.42Å; M489-N493 PolarHBondContact O-N 3.2Å; M489-N493 PolarHBondContact O-ND2 3.41Å; V490-N493 PolarHBondContact O-N 3.27Å; A491-N493 PolarHBondContact O-N 2.8Å; N493-L496 PolarHBondContact O-N 3.24Å; N493-H497 VanDerWaalsContact O-CB 3.27Å; N493-H497 WeakPolarHBondContact O-CB 3.49Å; N493-H497 PolarHBondContact O-N 3.31Å; N493-T542 WeakPolarHBondContact OD1-CG2 3.27Å
494K98.2Very high97.1Very high56 Ų5629.9 Ų29.924%0.24316%0.156CC..Hα-helixtrans-63.6-44.3176.3-66.9-38.6-172.41760112.2I452 I453 H456 V490 A491 A492 H497 L498I452-K494 HydrophobicContact CG2-CB 4.48Å; I453-K494 HydrophobicContact CG1-CG 4.4Å; H456-K494 HydrophobicContact CB-CB 3.86Å; H456-K494 HydrophobicContact CB-CG 4.17Å; H456-K494 PolarHBondContact CD2-O 3.04Å; V490-K494 WeakPolarHBondContact O-CG 3.26Å; V490-K494 PolarHBondContact O-N 3.3Å; A491-K494 PolarHBondContact O-N 2.8Å; A491-K494 VanDerWaalsContact O-N 3.17Å; A492-K494 VanDerWaalsContact C-N 3.31Å; A492-K494 PolarHBondContact O-N 3.38Å; K494-H497 WeakPolarHBondContact O-CB 3.44Å; K494-H497 PolarHBondContact O-N 2.97Å; K494-L498 WeakPolarHBondContact O-CG 3.31Å; K494-L498 PolarHBondContact O-N 2.98Å; K494-L498 VanDerWaalsContact O-N 3.1Å
495L98.3Very high96.9Very high1 Ų132.4 Ų32.41%0.00517%0.172CC..Hα-helixtrans-64.2-44.2176.3-70-179.1000112.3I452 I477 M487 A491 A492 H497 L498 L499 I524 F525I452-L495 HydrophobicContact CD1-CD1 4.2Å; I452-L495 HydrophobicContact CG2-CD1 4.45Å; I452-L495 HydrophobicContact CG2-CD2 3.79Å; I452-L495 HydrophobicContact CG2-CG 3.77Å; I477-L495 HydrophobicContact CD1-CD2 4.13Å; I477-L495 HydrophobicContact CG2-CD2 4.32Å; M487-L495 HydrophobicContact CE-CD1 4.07Å; M487-L495 HydrophobicContact SD-CD1 3.82Å; A491-L495 PolarHBondContact O-N 3.45Å; A492-L495 PolarHBondContact O-N 3.16Å; L495-H497 VanDerWaalsContact C-N 3.29Å; L495-H497 PolarHBondContact O-N 3.32Å; L495-L498 WeakPolarHBondContact O-CB 3.24Å; L495-L498 PolarHBondContact O-N 2.85Å; L495-L499 PolarHBondContact O-N 2.94Å; L495-L499 VanDerWaalsContact O-N 3.15Å; L495-I524 HydrophobicContact CD1-CG2 4.1Å; L495-F525 HydrophobicContact CB-CE1 3.94Å; L495-F525 HydrophobicContact CB-CZ 4.08Å; L495-F525 HydrophobicContact CD1-CE1 4.49Å
496L98.3Very high96.6Very high2 Ų228.5 Ų28.51%0.0115%0.154CC..Hα-helixtrans-65.4-35.1177.4-92.7-55.9000112.1A492 N493 L498 L499 E500 F525 L539 T542 I543 F550A492-L496 WeakPolarHBondContact O-CD2 3.37Å; A492-L496 PolarHBondContact O-N 3.07Å; A492-L496 VanDerWaalsContact O-N 3.07Å; N493-L496 PolarHBondContact O-N 3.24Å; L496-L498 VanDerWaalsContact C-N 3.34Å; L496-L498 PolarHBondContact O-N 3.32Å; L496-L499 HydrophobicContact CD1-CD2 4.26Å; L496-L499 PolarHBondContact O-N 3.35Å; L496-E500 WeakPolarHBondContact O-CB 3.2Å; L496-E500 PolarHBondContact O-N 3.33Å; L496-F525 HydrophobicContact CD1-CE2 4.35Å; L496-F525 HydrophobicContact CD1-CZ 3.99Å; L496-F525 HydrophobicContact CD2-CD1 4.46Å; L496-F525 HydrophobicContact CD2-CE1 3.55Å; L496-F525 HydrophobicContact CD2-CZ 3.73Å; L496-F525 HydrophobicContact CG-CZ 4.38Å; L496-L539 HydrophobicContact CD2-CD1 3.61Å; L496-T542 HydrophobicContact CB-CG2 4Å; L496-T542 HydrophobicContact CD2-CG2 3.97Å; L496-T542 HydrophobicContact CG-CG2 3.82Å; L496-I543 HydrophobicContact CD1-CG1 4.38Å; L496-I543 HydrophobicContact CD2-CG1 4.01Å; L496-F550 HydrophobicContact CD1-CE2 3.76Å; L496-F550 HydrophobicContact CD1-CZ 3.68Å
497H98.1Very high96.4Very high54 Ų5426.3 Ų26.325%0.2514%0.138CC..Hα-helixtrans-61.2-41.1172.5174.5-91.9000111.9H456 N493 K494 L495 L499 E500 V501H456-H497 AromaticContact CD2-ND1 3.78Å; H456-H497 AromaticContact NE2-CE1 3.68Å; H456-H497 AromaticContact NE2-CG 3.8Å; H456-H497 AromaticContact NE2-ND1 3.01Å; H456-H497 PolarHBondContact NE2-ND1 3.47Å; N493-H497 VanDerWaalsContact O-CB 3.27Å; N493-H497 WeakPolarHBondContact O-CB 3.49Å; N493-H497 PolarHBondContact O-N 3.31Å; K494-H497 WeakPolarHBondContact O-CB 3.44Å; K494-H497 PolarHBondContact O-N 2.97Å; L495-H497 VanDerWaalsContact C-N 3.29Å; L495-H497 PolarHBondContact O-N 3.32Å; H497-L499 VanDerWaalsContact C-N 3.32Å; H497-L499 PolarHBondContact O-N 2.94Å; H497-E500 PolarHBondContact O-N 2.99Å; H497-V501 WeakPolarHBondContact O-CG2 3.36Å; H497-V501 PolarHBondContact O-N 3.33Å
498L98.1Very high96.2Very high3 Ų326 Ų262%0.01614%0.137CC..Hα-helixtrans-60.7-42.4174.4-64-178.7000111.6I459 T460 L474 K494 L495 L496 V501 F502 L521I459-L498 HydrophobicContact CB-CD2 4.09Å; I459-L498 HydrophobicContact CD1-CD1 3.83Å; I459-L498 HydrophobicContact CD1-CD2 4.4Å; I459-L498 HydrophobicContact CG2-CD2 3.63Å; T460-L498 HydrophobicContact CG2-CD2 4.12Å; L474-L498 HydrophobicContact CD2-CD1 4.26Å; K494-L498 WeakPolarHBondContact O-CG 3.31Å; K494-L498 PolarHBondContact O-N 2.98Å; K494-L498 VanDerWaalsContact O-N 3.1Å; L495-L498 WeakPolarHBondContact O-CB 3.24Å; L495-L498 PolarHBondContact O-N 2.85Å; L496-L498 VanDerWaalsContact C-N 3.34Å; L496-L498 PolarHBondContact O-N 3.32Å; L498-V501 PolarHBondContact O-N 3Å; L498-F502 HydrophobicContact CB-CD2 4.44Å; L498-F502 HydrophobicContact CB-CE2 4.4Å; L498-F502 WeakPolarHBondContact O-CB 3.5Å; L498-F502 WeakPolarHBondContact O-CD2 3.47Å; L498-F502 WeakPolarHBondContact O-CG 3.27Å; L498-F502 PolarHBondContact O-N 3.01Å; L498-L521 HydrophobicContact CB-CD1 3.98Å; L498-L521 HydrophobicContact CB-CD2 4.12Å
499L98.3Very high96Very high0 Ų025.7 Ų25.70%013%0.134CC..Hα-helixtrans-62.6-46.4175.8-176.171.2000111.3L495 L496 H497 V501 F502 S503 I518 L521 L522 F525 V549 F550 L553L495-L499 PolarHBondContact O-N 2.94Å; L495-L499 VanDerWaalsContact O-N 3.15Å; L496-L499 HydrophobicContact CD1-CD2 4.26Å; L496-L499 PolarHBondContact O-N 3.35Å; H497-L499 VanDerWaalsContact C-N 3.32Å; H497-L499 PolarHBondContact O-N 2.94Å; L499-V501 VanDerWaalsContact C-N 3.34Å; L499-V501 PolarHBondContact O-N 2.78Å; L499-F502 PolarHBondContact O-N 3.3Å; L499-S503 WeakPolarHBondContact O-CB 3.24Å; L499-S503 PolarHBondContact O-N 3.15Å; L499-S503 PolarHBondContact O-OG 3.04Å; L499-I518 HydrophobicContact CD1-CD1 3.89Å; L499-I518 HydrophobicContact CD1-CG2 4.26Å; L499-L521 HydrophobicContact CB-CD1 4.11Å; L499-L521 HydrophobicContact CD1-CB 4.04Å; L499-L521 HydrophobicContact CD1-CD1 4.25Å; L499-L522 HydrophobicContact CD1-CD2 4.38Å; L499-F525 HydrophobicContact CB-CE2 4.09Å; L499-F525 HydrophobicContact CB-CZ 4.48Å; L499-F525 HydrophobicContact CD2-CD2 4.4Å; L499-F525 HydrophobicContact CD2-CE2 3.78Å; L499-F525 HydrophobicContact CG-CE2 4.34Å; L499-V549 HydrophobicContact CD2-CG1 3.88Å; L499-V549 HydrophobicContact CG-CG1 3.95Å; L499-F550 HydrophobicContact CD2-CD1 4Å; L499-F550 HydrophobicContact CD2-CE1 3.37Å; L499-F550 HydrophobicContact CD2-CE2 4.28Å; L499-F550 HydrophobicContact CD2-CZ 3.55Å; L499-L553 HydrophobicContact CD1-CD2 4.49Å
500E97.4Very high95.8Very high72 Ų7226 Ų2634%0.33614%0.143SC..Hα-helixtrans-58-44.4178-172.9168.3-161.600111.6L496 H497 S503 T504 K546 V549L496-E500 WeakPolarHBondContact O-CB 3.2Å; L496-E500 PolarHBondContact O-N 3.33Å; H497-E500 PolarHBondContact O-N 2.99Å; E500-S503 PolarHBondContact O-OG 2.94Å; E500-T504 PolarHBondContact O-OG1 3.19Å; E500-K546 VanDerWaalsContact CD-NZ 3.35Å; E500-K546 IonicContact OE1-NZ 3.61Å; E500-K546 PolarHBondContact OE1-NZ 3.46Å; E500-K546 IonicContact OE2-NZ 2.88Å; E500-K546 PolarHBondContact OE2-NZ 2.83Å; E500-V549 HydrophobicContact CB-CG2 4.22Å; E500-V549 HydrophobicContact CG-CG2 4.15Å
501V95.3Very high95.4Very high27 Ų2725.5 Ų25.516%0.16414%0.144CC..Hα-helixtrans-66.4-54177.5172.90000111.5H497 L498 L499 S503 T504H497-V501 WeakPolarHBondContact O-CG2 3.36Å; H497-V501 PolarHBondContact O-N 3.33Å; L498-V501 PolarHBondContact O-N 3Å; L499-V501 VanDerWaalsContact C-N 3.34Å; L499-V501 PolarHBondContact O-N 2.78Å; V501-S503 VanDerWaalsContact C-N 3.31Å; V501-S503 PolarHBondContact O-N 2.83Å; V501-T504 WeakPolarHBondContact O-CB 3.13Å; V501-T504 PolarHBondContact O-N 3.27Å; V501-T504 PolarHBondContact O-OG1 3.12Å; V501-T504 VanDerWaalsContact O-OG1 3.1Å
502F96.3Very high95Very high3 Ų327.9 Ų27.91%0.01316%0.16CC..Hα-helixtrans-72.1-25-174.4-65.3-34.9000113.3I459 F470 L474 L498 L499 T504 Y507 L517 I518 L521I459-F502 HydrophobicContact CG2-CE1 4.28Å; I459-F502 HydrophobicContact CG2-CE2 4.02Å; I459-F502 HydrophobicContact CG2-CZ 3.38Å; F470-F502 HydrophobicContact CD2-CE1 4.15Å; F470-F502 AromaticContact CD2-CZ 3.78Å; F470-F502 HydrophobicContact CD2-CZ 3.78Å; F470-F502 HydrophobicContact CE2-CE1 4.09Å; F470-F502 AromaticContact CE2-CZ 3.95Å; F470-F502 HydrophobicContact CE2-CZ 3.95Å; L474-F502 HydrophobicContact CD1-CE2 4.31Å; L498-F502 HydrophobicContact CB-CD2 4.44Å; L498-F502 HydrophobicContact CB-CE2 4.4Å; L498-F502 WeakPolarHBondContact O-CB 3.5Å; L498-F502 WeakPolarHBondContact O-CD2 3.47Å; L498-F502 WeakPolarHBondContact O-CG 3.27Å; L498-F502 PolarHBondContact O-N 3.01Å; L499-F502 PolarHBondContact O-N 3.3Å; F502-T504 PolarHBondContact O-N 3.38Å; F502-Y507 HydrophobicContact CB-CD1 4.3Å; F502-Y507 HydrophobicContact CB-CE1 4.34Å; F502-Y507 AromaticContact CD1-CD1 3.86Å; F502-Y507 HydrophobicContact CD1-CD1 3.86Å; F502-Y507 HydrophobicContact CD1-CD2 4.38Å; F502-Y507 AromaticContact CD1-CE1 3.37Å; F502-Y507 HydrophobicContact CD1-CE1 3.37Å; F502-Y507 AromaticContact CD1-CE2 3.98Å; F502-Y507 HydrophobicContact CD1-CE2 3.98Å; F502-Y507 HydrophobicContact CD1-CG 4.37Å; F502-Y507 AromaticContact CD1-CZ 3.47Å; F502-Y507 VanDerWaalsContact CD1-CZ 3.47Å; F502-Y507 AromaticContact CE1-CE1 3.93Å; F502-Y507 HydrophobicContact CE1-CE1 3.93Å; F502-Y507 HydrophobicContact CE1-CE2 4.05Å; F502-Y507 AromaticContact CE1-CZ 3.55Å; F502-Y507 WeakPolarHBondContact CE1-OH 3.28Å; F502-Y507 HydrophobicContact CG-CE1 4.14Å; F502-L517 HydrophobicContact CD1-CD1 3.98Å; F502-L517 HydrophobicContact CD2-CB 3.88Å; F502-L517 HydrophobicContact CD2-CD1 4.02Å; F502-L517 HydrophobicContact CE1-CD1 3.8Å; F502-L517 HydrophobicContact CE2-CB 4.25Å; F502-L517 HydrophobicContact CE2-CD1 3.86Å; F502-L517 HydrophobicContact CG-CB 4.26Å; F502-L517 HydrophobicContact CG-CD1 4.07Å; F502-L517 HydrophobicContact CZ-CD1 3.71Å; F502-I518 VanDerWaalsContact C-CD1 3.49Å; F502-I518 HydrophobicContact CB-CD1 3.58Å; F502-I518 HydrophobicContact CB-CG1 4.5Å; F502-L521 HydrophobicContact CD2-CD1 3.82Å
503S95.5Very high94.6Very high14 Ų1431.3 Ų31.310%0.09818%0.178CC..THydrogen-bonded Turntrans-78.5-5.4178.762.60000112.9L499 E500 V501 M508L499-S503 WeakPolarHBondContact O-CB 3.24Å; L499-S503 PolarHBondContact O-N 3.15Å; L499-S503 PolarHBondContact O-OG 3.04Å; E500-S503 PolarHBondContact O-OG 2.94Å; V501-S503 VanDerWaalsContact C-N 3.31Å; V501-S503 PolarHBondContact O-N 2.83Å; S503-M508 VanDerWaalsContact O-CE 3.31Å; S503-M508 WeakPolarHBondContact O-CE 3.22Å
504T94.5Very high94.4Very high47 Ų4729.4 Ų29.429%0.28817%0.168SC..SBendtrans-61.6125.8174.7-590000109.7E500 V501 F502 W506 Y507 M508E500-T504 PolarHBondContact O-OG1 3.19Å; V501-T504 WeakPolarHBondContact O-CB 3.13Å; V501-T504 PolarHBondContact O-N 3.27Å; V501-T504 PolarHBondContact O-OG1 3.12Å; V501-T504 VanDerWaalsContact O-OG1 3.1Å; F502-T504 PolarHBondContact O-N 3.38Å; T504-W506 VanDerWaalsContact C-N 3.29Å; T504-W506 HydrophobicContact CG2-CG 4.16Å; T504-W506 PolarHBondContact O-N 2.69Å; T504-W506 VanDerWaalsContact O-N 3.13Å; T504-Y507 WeakPolarHBondContact O-CB 3.37Å; T504-Y507 PolarHBondContact O-N 2.89Å; T504-M508 PolarHBondContact O-N 3.41Å
505P93.3Very high94.2Very high53 Ų5327.1 Ų27.134%0.34416%0.158SC..Hα-helixtrans-54-39.8-172.2-30.635.3000114.5Y507 M508 F509 L556 A566P505-Y507 VanDerWaalsContact C-N 3.3Å; P505-Y507 PolarHBondContact O-N 3.09Å; P505-M508 PolarHBondContact O-N 3.48Å; P505-F509 HydrophobicContact CB-CD2 4.31Å; P505-F509 HydrophobicContact CB-CE2 3.82Å; P505-F509 HydrophobicContact CB-CZ 4.33Å; P505-F509 WeakPolarHBondContact O-CB 3.41Å; P505-F509 WeakPolarHBondContact O-CD2 3.3Å; P505-F509 WeakPolarHBondContact O-CG 3.25Å; P505-F509 PolarHBondContact O-N 2.99Å; P505-L556 HydrophobicContact CB-CD1 4.21Å; P505-L556 HydrophobicContact CG-CD1 3.87Å; P505-A566 HydrophobicContact CB-CB 3.96Å
506W91Very high94Very high40 Ų4028.2 Ų28.215%0.15216%0.163CC..Hα-helixtrans-60.4-41.6177.983.3-108.1000111.3T504 F509 A510 A566 R570 L580 P581T504-W506 VanDerWaalsContact C-N 3.29Å; T504-W506 HydrophobicContact CG2-CG 4.16Å; T504-W506 PolarHBondContact O-N 2.69Å; T504-W506 VanDerWaalsContact O-N 3.13Å; W506-F509 PolarHBondContact O-N 3.33Å; W506-A510 HydrophobicContact CE3-CB 4.2Å; W506-A510 HydrophobicContact CZ3-CB 4.13Å; W506-A510 WeakPolarHBondContact O-CB 3.31Å; W506-A510 PolarHBondContact O-N 3.46Å; W506-A566 VanDerWaalsContact CB-O 3.28Å; W506-A566 WeakPolarHBondContact CB-O 3.36Å; W506-R570 VanDerWaalsContact CE2-NH1 3.27Å; W506-R570 HydrophobicContact CG-CB 4.44Å; W506-R570 VanDerWaalsContact CZ2-CZ 3.5Å; W506-L580 HydrophobicContact CH2-CD2 3.57Å; W506-L580 HydrophobicContact CZ2-CD2 3.88Å; W506-P581 HydrophobicContact CZ2-CG 4.46Å
507Y92.3Very high93.9Very high7 Ų728.2 Ų28.23%0.02716%0.163CC..Hα-helixtrans-68-48.3-175.4-178.1-82.3000108.8F502 T504 P505 F509 A510 N514 L517 L580F502-Y507 HydrophobicContact CB-CD1 4.3Å; F502-Y507 HydrophobicContact CB-CE1 4.34Å; F502-Y507 AromaticContact CD1-CD1 3.86Å; F502-Y507 HydrophobicContact CD1-CD1 3.86Å; F502-Y507 HydrophobicContact CD1-CD2 4.38Å; F502-Y507 AromaticContact CD1-CE1 3.37Å; F502-Y507 HydrophobicContact CD1-CE1 3.37Å; F502-Y507 AromaticContact CD1-CE2 3.98Å; F502-Y507 HydrophobicContact CD1-CE2 3.98Å; F502-Y507 HydrophobicContact CD1-CG 4.37Å; F502-Y507 AromaticContact CD1-CZ 3.47Å; F502-Y507 VanDerWaalsContact CD1-CZ 3.47Å; F502-Y507 AromaticContact CE1-CE1 3.93Å; F502-Y507 HydrophobicContact CE1-CE1 3.93Å; F502-Y507 HydrophobicContact CE1-CE2 4.05Å; F502-Y507 AromaticContact CE1-CZ 3.55Å; F502-Y507 WeakPolarHBondContact CE1-OH 3.28Å; F502-Y507 HydrophobicContact CG-CE1 4.14Å; T504-Y507 WeakPolarHBondContact O-CB 3.37Å; T504-Y507 PolarHBondContact O-N 2.89Å; P505-Y507 VanDerWaalsContact C-N 3.3Å; P505-Y507 PolarHBondContact O-N 3.09Å; Y507-F509 PolarHBondContact O-N 3.45Å; Y507-A510 WeakPolarHBondContact O-CB 3.34Å; Y507-A510 PolarHBondContact O-N 2.97Å; Y507-N514 HydrophobicContact CD1-CB 4.05Å; Y507-N514 HydrophobicContact CE1-CB 3.76Å; Y507-N514 WeakPolarHBondContact O-CB 3.24Å; Y507-N514 PolarHBondContact O-ND2 2.95Å; Y507-L517 HydrophobicContact CE1-CD1 3.87Å; Y507-L517 WeakPolarHBondContact OH-CD1 3.27Å; Y507-L580 HydrophobicContact CD2-CD2 3.99Å; Y507-L580 HydrophobicContact CE2-CD2 4.03Å
508M91.5Very high93.9Very high0 Ų025.8 Ų25.80%015%0.152CC..Hα-helixtrans-58-37.7179.6-161.4-179.8-5100112.8S503 T504 P505 H515 I518 L553 L556 W665S503-M508 VanDerWaalsContact O-CE 3.31Å; S503-M508 WeakPolarHBondContact O-CE 3.22Å; T504-M508 PolarHBondContact O-N 3.41Å; P505-M508 PolarHBondContact O-N 3.48Å; M508-H515 HydrophobicContact CG-CB 4.06Å; M508-I518 HydrophobicContact CE-CG1 4.42Å; M508-L553 HydrophobicContact CE-CD1 3.81Å; M508-L556 HydrophobicContact CE-CD2 4.16Å; M508-L556 HydrophobicContact SD-CD2 3.52Å; M508-L556 VanDerWaalsContact SD-CD2 3.52Å; M508-W665 HydrophobicContact CG-CH2 3.91Å; M508-W665 HydrophobicContact CG-CZ2 4.17Å; M508-W665 HydrophobicContact SD-CH2 3.12Å; M508-W665 WeakPolarHBondContact SD-CH2 3.48Å; M508-W665 HydrophobicContact SD-CZ2 3.95Å; M508-W665 HydrophobicContact SD-CZ3 3.71Å
509F93.1Very high93.8Very high3 Ų326.4 Ų26.41%0.01315%0.154CC..Hα-helixtrans-89.4-8.4-178-55.5-23000114P505 W506 Y507 L556 I563 A566 L567 W655 A657 W661 V662 W665P505-F509 HydrophobicContact CB-CD2 4.31Å; P505-F509 HydrophobicContact CB-CE2 3.82Å; P505-F509 HydrophobicContact CB-CZ 4.33Å; P505-F509 WeakPolarHBondContact O-CB 3.41Å; P505-F509 WeakPolarHBondContact O-CD2 3.3Å; P505-F509 WeakPolarHBondContact O-CG 3.25Å; P505-F509 PolarHBondContact O-N 2.99Å; W506-F509 PolarHBondContact O-N 3.33Å; Y507-F509 PolarHBondContact O-N 3.45Å; F509-L556 HydrophobicContact CE1-CD2 4.18Å; F509-L556 HydrophobicContact CZ-CD1 4.09Å; F509-L556 HydrophobicContact CZ-CD2 4.17Å; F509-L556 HydrophobicContact CZ-CG 4.27Å; F509-I563 HydrophobicContact CD2-CB 4.24Å; F509-I563 HydrophobicContact CD2-CG1 4.15Å; F509-I563 HydrophobicContact CD2-CG2 3.92Å; F509-I563 HydrophobicContact CE2-CB 4.28Å; F509-I563 HydrophobicContact CE2-CG1 3.8Å; F509-I563 HydrophobicContact CE2-CG2 4.42Å; F509-I563 HydrophobicContact CG-CG2 4.27Å; F509-I563 HydrophobicContact CZ-CG1 4.14Å; F509-A566 HydrophobicContact CD2-CB 4.08Å; F509-A566 HydrophobicContact CE2-CB 4.31Å; F509-L567 HydrophobicContact CB-CD2 3.88Å; F509-L567 HydrophobicContact CB-CG 4.23Å; F509-W655 WeakPolarHBondContact O-CZ3 3.28Å; F509-A657 HydrophobicContact CB-CB 3.8Å; F509-A657 HydrophobicContact CG-CB 4.29Å; F509-W661 HydrophobicContact CD1-CZ3 4.09Å; F509-V662 HydrophobicContact CD1-CG2 3.93Å; F509-V662 HydrophobicContact CE1-CB 4.46Å; F509-V662 HydrophobicContact CE1-CG1 3.94Å; F509-V662 HydrophobicContact CE1-CG2 3.57Å; F509-V662 HydrophobicContact CZ-CG1 4.34Å; F509-V662 HydrophobicContact CZ-CG2 4.21Å; F509-W665 HydrophobicContact CE1-CH2 4.5Å; F509-W665 HydrophobicContact CE1-CZ2 4.34Å
510A89.8Confident93.8Very high52 Ų5226.6 Ų26.643%0.4316%0.155SC..Hα-helixtrans-72.3-27.6-175.300000113.9W506 Y507W506-A510 HydrophobicContact CE3-CB 4.2Å; W506-A510 HydrophobicContact CZ3-CB 4.13Å; W506-A510 WeakPolarHBondContact O-CB 3.31Å; W506-A510 PolarHBondContact O-N 3.46Å; Y507-A510 WeakPolarHBondContact O-CB 3.34Å; Y507-A510 PolarHBondContact O-N 2.97Å
511A89.5Confident93.8Very high31 Ų3123.1 Ų23.126%0.25614%0.139SC..SBendtrans-146.4151.2178.900000111.3N513 N514 W655A511-N513 PolarHBondContact O-N 3.21Å; A511-N514 PolarHBondContact O-N 3.48Å; A511-W655 VanDerWaalsContact C-CH2 3.4Å; A511-W655 VanDerWaalsContact C-CZ3 3.44Å; A511-W655 VanDerWaalsContact CA-CZ3 3.48Å
512P89.6Confident93.9Very high51 Ų5121.9 Ų21.933%0.33113%0.131SC..THydrogen-bonded Turntrans-63.2-19.9-172.422.7-33.5000114.3H515 W655 W661P512-H515 PolarHBondContact O-CE1 3.37Å; P512-H515 PolarHBondContact O-ND1 3.24Å; P512-W655 VanDerWaalsContact CA-CZ2 3.44Å; P512-W655 HydrophobicContact CB-CD2 4.13Å; P512-W655 HydrophobicContact CB-CH2 4.25Å; P512-W655 HydrophobicContact CB-CZ2 3.73Å; P512-W655 HydrophobicContact CG-CD2 4.26Å; P512-W661 VanDerWaalsContact O-CZ2 3.32Å; P512-W661 WeakPolarHBondContact O-CZ2 3.43Å
513N90.7Very high94Very high72 Ų7222.8 Ų22.839%0.38514%0.136SC..THydrogen-bonded Turntrans-108.5-5.4-176-59.7-35.4000113.6A511 H515 H516A511-N513 PolarHBondContact O-N 3.21Å; N513-H515 PolarHBondContact O-N 2.96Å; N513-H515 VanDerWaalsContact O-N 3.16Å; N513-H516 VanDerWaalsContact O-CB 3.27Å; N513-H516 WeakPolarHBondContact O-CB 3.38Å; N513-H516 PolarHBondContact O-N 2.95Å
514N92.7Very high94.1Very high29 Ų2922.1 Ų22.116%0.15513%0.131CC..Hα-helixtrans-61.5-30.7-174.4-77.31000112.9Y507 A511 H516 L517Y507-N514 HydrophobicContact CD1-CB 4.05Å; Y507-N514 HydrophobicContact CE1-CB 3.76Å; Y507-N514 WeakPolarHBondContact O-CB 3.24Å; Y507-N514 PolarHBondContact O-ND2 2.95Å; A511-N514 PolarHBondContact O-N 3.48Å; N514-H516 PolarHBondContact O-N 3.44Å; N514-L517 WeakPolarHBondContact O-CB 3.45Å; N514-L517 PolarHBondContact O-N 3.28Å
515H93.7Very high94.3Very high8 Ų819.9 Ų19.94%0.03712%0.117CC..Hα-helixtrans-62.1-25.7175.571.6-76.1000113M508 P512 N513 L517 I518 F519 W661 W665M508-H515 HydrophobicContact CG-CB 4.06Å; P512-H515 PolarHBondContact O-CE1 3.37Å; P512-H515 PolarHBondContact O-ND1 3.24Å; N513-H515 PolarHBondContact O-N 2.96Å; N513-H515 VanDerWaalsContact O-N 3.16Å; H515-L517 VanDerWaalsContact C-N 3.25Å; H515-L517 PolarHBondContact O-N 2.84Å; H515-I518 WeakPolarHBondContact O-CB 3.34Å; H515-I518 PolarHBondContact O-N 3.41Å; H515-I518 VanDerWaalsContact O-N 3.11Å; H515-F519 WeakPolarHBondContact O-CD2 3.31Å; H515-F519 PolarHBondContact O-N 3.18Å; H515-W661 AromaticContact CE1-CZ2 3.88Å; H515-W661 AromaticContact ND1-CZ2 3.45Å; H515-W661 WeakPolarHBondContact ND1-CZ2 3.45Å; H515-W665 HydrophobicContact CB-CD2 3.93Å; H515-W665 HydrophobicContact CB-CE3 4.07Å; H515-W665 HydrophobicContact CB-CH2 4.33Å; H515-W665 HydrophobicContact CB-CZ2 4.05Å; H515-W665 HydrophobicContact CB-CZ3 4.29Å; H515-W665 AromaticContact CD2-CD1 3.64Å; H515-W665 AromaticContact CD2-CD2 3.57Å; H515-W665 AromaticContact CD2-CG 3.35Å; H515-W665 AromaticContact CD2-NE1 3.99Å; H515-W665 AromaticContact CG-CD2 3.85Å; H515-W665 AromaticContact CG-CE2 3.89Å; H515-W665 AromaticContact CG-CG 4Å; H515-W665 AromaticContact CG-NE1 3.91Å; H515-W665 AromaticContact NE2-CD1 3.68Å; H515-W665 AromaticContact NE2-CG 3.72Å
516H94.7Very high94.5Very high24 Ų2417.5 Ų17.511%0.11110%0.101CC..Hα-helixtrans-61.2-32.5176.7-62.5161000112.8N513 N514 I518 F519 F520N513-H516 VanDerWaalsContact O-CB 3.27Å; N513-H516 WeakPolarHBondContact O-CB 3.38Å; N513-H516 PolarHBondContact O-N 2.95Å; N514-H516 PolarHBondContact O-N 3.44Å; H516-I518 PolarHBondContact O-N 2.95Å; H516-F519 WeakPolarHBondContact O-CB 3.45Å; H516-F519 PolarHBondContact O-N 3.06Å; H516-F519 VanDerWaalsContact O-N 3.07Å; H516-F520 HydrophobicContact CB-CE2 4.39Å; H516-F520 VanDerWaalsContact O-CD2 3.28Å; H516-F520 WeakPolarHBondContact O-CD2 3.33Å; H516-F520 PolarHBondContact O-N 3.45Å
517L96.6Very high94.8Very high3 Ų315.6 Ų15.62%0.0169%0.094CC..Hα-helixtrans-60.3-33.7177.2-57-179.2000111.9F470 D471 L474 F502 Y507 N514 H515 L521F470-L517 HydrophobicContact CB-CD1 4.4Å; F470-L517 HydrophobicContact CB-CD2 3.87Å; F470-L517 HydrophobicContact CD2-CD1 4.17Å; D471-L517 WeakPolarHBondContact OD1-CD2 3.48Å; L474-L517 HydrophobicContact CD1-CB 3.83Å; L474-L517 HydrophobicContact CD1-CD2 3.67Å; L474-L517 HydrophobicContact CD1-CG 4.32Å; F502-L517 HydrophobicContact CD1-CD1 3.98Å; F502-L517 HydrophobicContact CD2-CB 3.88Å; F502-L517 HydrophobicContact CD2-CD1 4.02Å; F502-L517 HydrophobicContact CE1-CD1 3.8Å; F502-L517 HydrophobicContact CE2-CB 4.25Å; F502-L517 HydrophobicContact CE2-CD1 3.86Å; F502-L517 HydrophobicContact CG-CB 4.26Å; F502-L517 HydrophobicContact CG-CD1 4.07Å; F502-L517 HydrophobicContact CZ-CD1 3.71Å; Y507-L517 HydrophobicContact CE1-CD1 3.87Å; Y507-L517 WeakPolarHBondContact OH-CD1 3.27Å; N514-L517 WeakPolarHBondContact O-CB 3.45Å; N514-L517 PolarHBondContact O-N 3.28Å; H515-L517 VanDerWaalsContact C-N 3.25Å; H515-L517 PolarHBondContact O-N 2.84Å; L517-L521 WeakPolarHBondContact O-CG 3.37Å; L517-L521 PolarHBondContact O-N 3.41Å; L517-L521 VanDerWaalsContact O-N 3.08Å
518I97.2Very high95Very high2 Ų215.3 Ų15.31%0.019%0.093CC..Hα-helixtrans-69.9-41.1175.4-57.9-59.1000111.4L499 F502 M508 H515 H516 F520 L521 L522 L553 L669L499-I518 HydrophobicContact CD1-CD1 3.89Å; L499-I518 HydrophobicContact CD1-CG2 4.26Å; F502-I518 VanDerWaalsContact C-CD1 3.49Å; F502-I518 HydrophobicContact CB-CD1 3.58Å; F502-I518 HydrophobicContact CB-CG1 4.5Å; M508-I518 HydrophobicContact CE-CG1 4.42Å; H515-I518 WeakPolarHBondContact O-CB 3.34Å; H515-I518 PolarHBondContact O-N 3.41Å; H515-I518 VanDerWaalsContact O-N 3.11Å; H516-I518 PolarHBondContact O-N 2.95Å; I518-F520 VanDerWaalsContact C-N 3.32Å; I518-F520 PolarHBondContact O-N 2.99Å; I518-L521 PolarHBondContact O-N 3.42Å; I518-L522 HydrophobicContact CG2-CD1 3.89Å; I518-L522 HydrophobicContact CG2-CG 4.12Å; I518-L522 WeakPolarHBondContact O-CB 3.43Å; I518-L522 VanDerWaalsContact O-CG 3.3Å; I518-L522 WeakPolarHBondContact O-CG 3.37Å; I518-L522 PolarHBondContact O-N 3.48Å; I518-L553 HydrophobicContact CG2-CD1 4.29Å; I518-L553 HydrophobicContact CG2-CD2 3.58Å; I518-L669 HydrophobicContact CG2-CD2 3.92Å
519F96.9Very high95.2Very high17 Ų1715.5 Ų15.58%0.0759%0.094CC..Hα-helixtrans-58.4-46.4174.8-83.2-94.4000111.2H515 H516 L521 L522 E523 W665 K668 L669H515-F519 WeakPolarHBondContact O-CD2 3.31Å; H515-F519 PolarHBondContact O-N 3.18Å; H516-F519 WeakPolarHBondContact O-CB 3.45Å; H516-F519 PolarHBondContact O-N 3.06Å; H516-F519 VanDerWaalsContact O-N 3.07Å; F519-L521 PolarHBondContact O-N 3.4Å; F519-L522 PolarHBondContact O-N 3.02Å; F519-E523 VanDerWaalsContact O-CB 3.31Å; F519-E523 WeakPolarHBondContact O-CB 3.42Å; F519-E523 PolarHBondContact O-N 2.93Å; F519-W665 HydrophobicContact CE2-CB 4.3Å; F519-W665 HydrophobicContact CE2-CE3 4.3Å; F519-W665 HydrophobicContact CZ-CB 4.42Å; F519-W665 WeakPolarHBondContact CZ-O 3.49Å; F519-K668 HydrophobicContact CE1-CB 4.27Å; F519-K668 VanDerWaalsContact CE1-O 3.31Å; F519-K668 WeakPolarHBondContact CE1-O 3.22Å; F519-K668 HydrophobicContact CZ-CB 4.14Å; F519-L669 HydrophobicContact CD2-CD2 4.03Å; F519-L669 HydrophobicContact CE1-CD2 4.48Å; F519-L669 HydrophobicContact CE2-CD2 3.61Å; F519-L669 HydrophobicContact CE2-CG 4.43Å; F519-L669 HydrophobicContact CZ-CD2 3.87Å; F519-L669 HydrophobicContact CZ-CG 4.32Å
520F97.3Very high95.3Very high3 Ų316.8 Ų16.81%0.01310%0.1CC..Hα-helixtrans-61-45.6176.6-64.8-52.6000112.3D471 L474 V478 H516 I518 E523 I524 I637D471-F520 HydrophobicContact CB-CE2 4.13Å; L474-F520 HydrophobicContact CB-CB 3.72Å; L474-F520 HydrophobicContact CB-CD2 4.02Å; L474-F520 HydrophobicContact CB-CG 4.07Å; L474-F520 HydrophobicContact CD1-CB 4.1Å; L474-F520 HydrophobicContact CD1-CD2 4.33Å; V478-F520 HydrophobicContact CG2-CB 3.9Å; V478-F520 HydrophobicContact CG2-CD1 3.98Å; V478-F520 HydrophobicContact CG2-CG 4.37Å; V478-F520 WeakPolarHBondContact CG2-O 3.49Å; H516-F520 HydrophobicContact CB-CE2 4.39Å; H516-F520 VanDerWaalsContact O-CD2 3.28Å; H516-F520 WeakPolarHBondContact O-CD2 3.33Å; H516-F520 PolarHBondContact O-N 3.45Å; I518-F520 VanDerWaalsContact C-N 3.32Å; I518-F520 PolarHBondContact O-N 2.99Å; F520-E523 PolarHBondContact O-N 2.81Å; F520-I524 WeakPolarHBondContact O-CD1 3.4Å; F520-I524 VanDerWaalsContact O-CG1 3.24Å; F520-I524 WeakPolarHBondContact O-CG1 3.38Å; F520-I524 PolarHBondContact O-N 2.78Å; F520-I637 HydrophobicContact CE1-CD1 3.83Å; F520-I637 HydrophobicContact CZ-CD1 4.06Å
521L98.3Very high95.5Very high0 Ų018 Ų180%09%0.094CC..Hα-helixtrans-64.5-42.5179.3-74.2168.3000112.9L474 L498 L499 F502 L517 I518 F519 E523 I524 F525L474-L521 HydrophobicContact CD1-CG 4.23Å; L474-L521 HydrophobicContact CD2-CD2 3.95Å; L474-L521 HydrophobicContact CD2-CG 4.3Å; L498-L521 HydrophobicContact CB-CD1 3.98Å; L498-L521 HydrophobicContact CB-CD2 4.12Å; L499-L521 HydrophobicContact CB-CD1 4.11Å; L499-L521 HydrophobicContact CD1-CB 4.04Å; L499-L521 HydrophobicContact CD1-CD1 4.25Å; F502-L521 HydrophobicContact CD2-CD1 3.82Å; L517-L521 WeakPolarHBondContact O-CG 3.37Å; L517-L521 PolarHBondContact O-N 3.41Å; L517-L521 VanDerWaalsContact O-N 3.08Å; I518-L521 PolarHBondContact O-N 3.42Å; F519-L521 PolarHBondContact O-N 3.4Å; L521-E523 VanDerWaalsContact C-N 3.33Å; L521-I524 HydrophobicContact CD2-CD1 4.25Å; L521-I524 WeakPolarHBondContact O-CB 3.4Å; L521-I524 PolarHBondContact O-N 2.93Å; L521-F525 HydrophobicContact CB-CE2 4.25Å; L521-F525 WeakPolarHBondContact O-CD2 3.35Å; L521-F525 WeakPolarHBondContact O-CE2 3.37Å; L521-F525 WeakPolarHBondContact O-CG 3.22Å; L521-F525 PolarHBondContact O-N 2.96Å
522L98.1Very high95.7Very high0 Ų018.8 Ų18.80%09%0.092CC..Hα-helixtrans-65.4-38.4175.6-67.3178.5000111.7L499 I518 F519 F525 N526 F550 L553 L669 P670 L671L499-L522 HydrophobicContact CD1-CD2 4.38Å; I518-L522 HydrophobicContact CG2-CD1 3.89Å; I518-L522 HydrophobicContact CG2-CG 4.12Å; I518-L522 WeakPolarHBondContact O-CB 3.43Å; I518-L522 VanDerWaalsContact O-CG 3.3Å; I518-L522 WeakPolarHBondContact O-CG 3.37Å; I518-L522 PolarHBondContact O-N 3.48Å; F519-L522 PolarHBondContact O-N 3.02Å; L522-F525 PolarHBondContact O-N 3.35Å; L522-N526 WeakPolarHBondContact O-CB 3.16Å; L522-N526 PolarHBondContact O-N 3.32Å; L522-N526 PolarHBondContact O-ND2 3.4Å; L522-F550 HydrophobicContact CD2-CD1 4.17Å; L522-F550 HydrophobicContact CD2-CE1 3.96Å; L522-L553 HydrophobicContact CD1-CD2 4.11Å; L522-L553 HydrophobicContact CD2-CD2 4.41Å; L522-L669 HydrophobicContact CD1-CB 4.26Å; L522-L669 HydrophobicContact CD1-CD2 3.99Å; L522-P670 HydrophobicContact CB-CG 3.82Å; L522-P670 HydrophobicContact CD1-CG 4.29Å; L522-L671 HydrophobicContact CD1-CD2 3.78Å; L522-L671 HydrophobicContact CD1-CG 4.09Å; L522-L671 HydrophobicContact CD2-CD2 3.74Å; L522-L671 HydrophobicContact CG-CD2 4.44Å
523E97.4Very high96Very high23 Ų2317.8 Ų17.811%0.1078%0.083CC..Hα-helixtrans-62.4-41.2173.5-170.1177.9158.100111.5V478 F519 F520 L521 N526 N527 R722V478-E523 VanDerWaalsContact CG1-CD 3.47Å; V478-E523 HydrophobicContact CG1-CG 3.91Å; V478-E523 WeakPolarHBondContact CG1-OE1 3.48Å; F519-E523 VanDerWaalsContact O-CB 3.31Å; F519-E523 WeakPolarHBondContact O-CB 3.42Å; F519-E523 PolarHBondContact O-N 2.93Å; F520-E523 PolarHBondContact O-N 2.81Å; L521-E523 VanDerWaalsContact C-N 3.33Å; E523-N526 PolarHBondContact O-N 3.3Å; E523-N527 WeakPolarHBondContact O-CB 3.15Å; E523-N527 VanDerWaalsContact O-CG 3.31Å; E523-N527 PolarHBondContact O-N 2.84Å; E523-N527 PolarHBondContact O-ND2 2.67Å; E523-R722 IonicContact OE1-CZ 3.75Å; E523-R722 IonicContact OE1-NH1 3.64Å; E523-R722 PolarHBondContact OE1-NH1 3.4Å; E523-R722 IonicContact OE1-NH2 3.35Å; E523-R722 PolarHBondContact OE1-NH2 3.13Å; E523-R722 IonicContact OE2-CZ 3.96Å; E523-R722 IonicContact OE2-NH1 3.7Å; E523-R722 IonicContact OE2-NH2 2.74Å; E523-R722 PolarHBondContact OE2-NH2 3.48Å
524I98.1Very high96Very high0 Ų020.9 Ų20.90%010%0.1CC..Hα-helixtrans-57.9-50.5173.5-69.1157.8000110.8I477 V478 L495 F520 L521 N526 N527 I528I477-I524 HydrophobicContact CB-CD1 3.68Å; I477-I524 HydrophobicContact CB-CG1 4.3Å; I477-I524 HydrophobicContact CG2-CD1 3.44Å; I477-I524 VanDerWaalsContact CG2-CD1 3.44Å; I477-I524 HydrophobicContact CG2-CG1 3.81Å; I477-I524 HydrophobicContact CG2-CG2 3.94Å; V478-I524 HydrophobicContact CB-CG1 4.25Å; V478-I524 HydrophobicContact CG2-CD1 3.92Å; V478-I524 HydrophobicContact CG2-CG1 3.56Å; L495-I524 HydrophobicContact CD1-CG2 4.1Å; F520-I524 WeakPolarHBondContact O-CD1 3.4Å; F520-I524 VanDerWaalsContact O-CG1 3.24Å; F520-I524 WeakPolarHBondContact O-CG1 3.38Å; F520-I524 PolarHBondContact O-N 2.78Å; L521-I524 HydrophobicContact CD2-CD1 4.25Å; L521-I524 WeakPolarHBondContact O-CB 3.4Å; L521-I524 PolarHBondContact O-N 2.93Å; I524-N526 PolarHBondContact O-N 3.47Å; I524-N527 PolarHBondContact O-N 3.45Å; I524-I528 HydrophobicContact CG2-CD1 3.92Å; I524-I528 WeakPolarHBondContact O-CG1 3.28Å; I524-I528 PolarHBondContact O-N 3.27Å; I524-I528 VanDerWaalsContact O-N 3.08Å
525F98.3Very high96Very high0 Ų021 Ų210%011%0.108CC..Hα-helixtrans-63.3-42.7179.5-61.9-47.9000111.7L495 L496 L499 L521 L522 I528 I529 L539 I543 F550 V674L495-F525 HydrophobicContact CB-CE1 3.94Å; L495-F525 HydrophobicContact CB-CZ 4.08Å; L495-F525 HydrophobicContact CD1-CE1 4.49Å; L496-F525 HydrophobicContact CD1-CE2 4.35Å; L496-F525 HydrophobicContact CD1-CZ 3.99Å; L496-F525 HydrophobicContact CD2-CD1 4.46Å; L496-F525 HydrophobicContact CD2-CE1 3.55Å; L496-F525 HydrophobicContact CD2-CZ 3.73Å; L496-F525 HydrophobicContact CG-CZ 4.38Å; L499-F525 HydrophobicContact CB-CE2 4.09Å; L499-F525 HydrophobicContact CB-CZ 4.48Å; L499-F525 HydrophobicContact CD2-CD2 4.4Å; L499-F525 HydrophobicContact CD2-CE2 3.78Å; L499-F525 HydrophobicContact CG-CE2 4.34Å; L521-F525 HydrophobicContact CB-CE2 4.25Å; L521-F525 WeakPolarHBondContact O-CD2 3.35Å; L521-F525 WeakPolarHBondContact O-CE2 3.37Å; L521-F525 WeakPolarHBondContact O-CG 3.22Å; L521-F525 PolarHBondContact O-N 2.96Å; L522-F525 PolarHBondContact O-N 3.35Å; F525-I528 PolarHBondContact O-N 3.5Å; F525-I529 HydrophobicContact CB-CD1 4.41Å; F525-I529 WeakPolarHBondContact O-CB 3.2Å; F525-I529 WeakPolarHBondContact O-CD1 3.21Å; F525-I529 WeakPolarHBondContact O-CG1 3.16Å; F525-I529 PolarHBondContact O-N 3.47Å; F525-L539 HydrophobicContact CD1-CD1 3.93Å; F525-L539 HydrophobicContact CD1-CD2 4.23Å; F525-L539 HydrophobicContact CE1-CD1 3.84Å; F525-I543 HydrophobicContact CD1-CD1 4.23Å; F525-I543 HydrophobicContact CG-CD1 4.45Å; F525-F550 HydrophobicContact CD2-CE1 4.16Å; F525-F550 HydrophobicContact CD2-CZ 4.22Å; F525-F550 HydrophobicContact CE2-CZ 4.37Å; F525-V674 HydrophobicContact CB-CG2 4.17Å
526N97.5Very high96.2Very high2 Ų220.7 Ų20.71%0.01111%0.106CC..Hα-helixtrans-63.4-44.5178.1-70.2-18000112L522 E523 I524 I528 I529 Q530 P670 T673 V674L522-N526 WeakPolarHBondContact O-CB 3.16Å; L522-N526 PolarHBondContact O-N 3.32Å; L522-N526 PolarHBondContact O-ND2 3.4Å; E523-N526 PolarHBondContact O-N 3.3Å; I524-N526 PolarHBondContact O-N 3.47Å; N526-I528 VanDerWaalsContact C-N 3.35Å; N526-I528 PolarHBondContact O-N 2.83Å; N526-I529 PolarHBondContact O-N 2.84Å; N526-Q530 VanDerWaalsContact O-CB 3.26Å; N526-Q530 WeakPolarHBondContact O-CB 3.25Å; N526-Q530 VanDerWaalsContact O-CG 3.26Å; N526-Q530 WeakPolarHBondContact O-CG 3.38Å; N526-Q530 PolarHBondContact O-N 3.22Å; N526-P670 PolarHBondContact ND2-O 3.22Å; N526-T673 WeakPolarHBondContact OD1-CB 3.24Å; N526-V674 WeakPolarHBondContact OD1-CG2 3.38Å
527N97.4Very high96.2Very high1 Ų119.9 Ų19.91%0.00510%0.103CC..Hα-helixtrans-57.6-47.4175.8-80.6-29.1000111.4S481 P482 E523 I524 Q530 Y531 H717S481-N527 WeakPolarHBondContact OG-CB 3.39Å; S481-N527 PolarHBondContact OG-ND2 3.01Å; P482-N527 HydrophobicContact CG-CB 4.15Å; E523-N527 WeakPolarHBondContact O-CB 3.15Å; E523-N527 VanDerWaalsContact O-CG 3.31Å; E523-N527 PolarHBondContact O-N 2.84Å; E523-N527 PolarHBondContact O-ND2 2.67Å; I524-N527 PolarHBondContact O-N 3.45Å; N527-Q530 PolarHBondContact O-N 2.97Å; N527-Y531 VanDerWaalsContact O-CB 3.31Å; N527-Y531 WeakPolarHBondContact O-CB 3.39Å; N527-Y531 WeakPolarHBondContact O-CD2 3.39Å; N527-Y531 PolarHBondContact O-N 2.85Å; N527-H717 PolarHBondContact OD1-CE1 3.35Å
528I97Very high96.2Very high1 Ų121.6 Ų21.61%0.00511%0.113CC..Hα-helixtrans-67.8-43.9-179.4-61.8167000110.8L484 M487 I524 F525 N526 Q530 Q532 F533 N536 L539L484-I528 HydrophobicContact CD1-CD1 4.16Å; M487-I528 HydrophobicContact CE-CD1 4.38Å; I524-I528 HydrophobicContact CG2-CD1 3.92Å; I524-I528 WeakPolarHBondContact O-CG1 3.28Å; I524-I528 PolarHBondContact O-N 3.27Å; I524-I528 VanDerWaalsContact O-N 3.08Å; F525-I528 PolarHBondContact O-N 3.5Å; N526-I528 VanDerWaalsContact C-N 3.35Å; N526-I528 PolarHBondContact O-N 2.83Å; I528-Q530 VanDerWaalsContact C-N 3.34Å; I528-Q530 PolarHBondContact O-N 3.12Å; I528-Q532 HydrophobicContact CG2-CB 4.37Å; I528-Q532 CarbonylContact O-C 3.58Å; I528-Q532 WeakPolarHBondContact O-CA 3.3Å; I528-Q532 PolarHBondContact O-N 3.35Å; I528-F533 PolarHBondContact O-N 3.49Å; I528-F533 VanDerWaalsContact O-N 3.08Å; I528-N536 HydrophobicContact CG2-CB 3.62Å; I528-N536 VanDerWaalsContact CG2-CG 3.41Å; I528-L539 HydrophobicContact CB-CD2 3.81Å; I528-L539 HydrophobicContact CD1-CD2 3.67Å; I528-L539 HydrophobicContact CG1-CD2 4.34Å; I528-L539 HydrophobicContact CG2-CD2 3.5Å; I528-L539 VanDerWaalsContact CG2-CD2 3.5Å
529I95.7Very high96.2Very high3 Ų321.6 Ų21.62%0.01511%0.112CC..Hα-helixtrans-63.8-38.5178.8-69.2163.1000111.7F525 N526 F533 I543 T673 V674 L677 L713F525-I529 HydrophobicContact CB-CD1 4.41Å; F525-I529 WeakPolarHBondContact O-CB 3.2Å; F525-I529 WeakPolarHBondContact O-CD1 3.21Å; F525-I529 WeakPolarHBondContact O-CG1 3.16Å; F525-I529 PolarHBondContact O-N 3.47Å; N526-I529 PolarHBondContact O-N 2.84Å; I529-F533 WeakPolarHBondContact O-CB 3.11Å; I529-I543 HydrophobicContact CD1-CD1 4.01Å; I529-T673 HydrophobicContact CB-CG2 4.23Å; I529-T673 HydrophobicContact CG2-CG2 3.72Å; I529-V674 HydrophobicContact CD1-CG2 3.79Å; I529-L677 HydrophobicContact CB-CD1 4.4Å; I529-L677 HydrophobicContact CD1-CD1 3.87Å; I529-L677 HydrophobicContact CG1-CD1 3.81Å; I529-L677 HydrophobicContact CG2-CD1 3.69Å; I529-L713 HydrophobicContact CG2-CD1 3.65Å; I529-L713 HydrophobicContact CG2-CD2 4.36Å
530Q94.3Very high96.2Very high30 Ų3020.9 Ų20.914%0.1411%0.109CC..Hα-helixtrans-83.2-36.6-176-70-177.6-21.600112.8N526 N527 I528 T673 P716 H717N526-Q530 VanDerWaalsContact O-CB 3.26Å; N526-Q530 WeakPolarHBondContact O-CB 3.25Å; N526-Q530 VanDerWaalsContact O-CG 3.26Å; N526-Q530 WeakPolarHBondContact O-CG 3.38Å; N526-Q530 PolarHBondContact O-N 3.22Å; N527-Q530 PolarHBondContact O-N 2.97Å; I528-Q530 VanDerWaalsContact C-N 3.34Å; I528-Q530 PolarHBondContact O-N 3.12Å; Q530-T673 HydrophobicContact CG-CG2 3.87Å; Q530-T673 PolarHBondContact NE2-OG1 3.35Å; Q530-T673 VanDerWaalsContact NE2-OG1 3.11Å; Q530-P716 HydrophobicContact CB-CB 4.35Å; Q530-H717 PolarHBondContact OE1-CD2 2.93Å; Q530-H717 PolarHBondContact OE1-NE2 3.26Å
531Y94.6Very high96.2Very high79 Ų7921.8 Ų21.831%0.3111%0.113SC..Hα-helixtrans-109.6-23-170.5-63.7-70.5000114.8P482 N527 P716 H717 I719P482-Y531 HydrophobicContact CB-CD2 4.36Å; N527-Y531 VanDerWaalsContact O-CB 3.31Å; N527-Y531 WeakPolarHBondContact O-CB 3.39Å; N527-Y531 WeakPolarHBondContact O-CD2 3.39Å; N527-Y531 PolarHBondContact O-N 2.85Å; Y531-P716 HydrophobicContact CE1-CB 4.32Å; Y531-H717 PolarHBondContact OH-O 3.34Å; Y531-I719 HydrophobicContact CD1-CD1 4.14Å; Y531-I719 HydrophobicContact CD2-CD1 4.22Å; Y531-I719 HydrophobicContact CD2-CG1 4.04Å; Y531-I719 HydrophobicContact CE1-CD1 3.97Å; Y531-I719 HydrophobicContact CE1-CG1 4.14Å; Y531-I719 HydrophobicContact CE2-CD1 4.07Å; Y531-I719 HydrophobicContact CE2-CG1 3.52Å; Y531-I719 HydrophobicContact CG-CD1 4.26Å
532Q94.9Very high96.1Very high46 Ų4621.8 Ų21.822%0.21511%0.113CC..SBendtrans-13527.8-172.7-58.4-62.8-23.200112.8P482 L484 I528 D534 N536P482-Q532 WeakPolarHBondContact O-CG 3.32Å; P482-Q532 PolarHBondContact O-NE2 3.41Å; L484-Q532 WeakPolarHBondContact O-CB 3.45Å; L484-Q532 WeakPolarHBondContact O-CG 3.43Å; I528-Q532 HydrophobicContact CG2-CB 4.37Å; I528-Q532 CarbonylContact O-C 3.58Å; I528-Q532 WeakPolarHBondContact O-CA 3.3Å; I528-Q532 PolarHBondContact O-N 3.35Å; Q532-D534 VanDerWaalsContact C-N 3.31Å; Q532-D534 PolarHBondContact O-N 3.04Å; Q532-N536 WeakPolarHBondContact CB-ND2 3.27Å; Q532-N536 WeakPolarHBondContact O-CB 3.44Å; Q532-N536 PolarHBondContact O-ND2 3.17Å
533F93.9Very high96.1Very high31 Ų3121.8 Ų21.814%0.13611%0.113CC..G310 helixtrans-54.1-46.2-178.6176.9-97.2000113.1I528 I529 G535 N536 V540 L677 L681 L709I528-F533 PolarHBondContact O-N 3.49Å; I528-F533 VanDerWaalsContact O-N 3.08Å; I529-F533 WeakPolarHBondContact O-CB 3.11Å; F533-G535 VanDerWaalsContact C-N 3.3Å; F533-G535 PolarHBondContact O-N 3.42Å; F533-N536 PolarHBondContact O-N 3.11Å; F533-V540 HydrophobicContact CD2-CG2 3.84Å; F533-V540 HydrophobicContact CE2-CG1 4.19Å; F533-V540 HydrophobicContact CE2-CG2 3.64Å; F533-L677 HydrophobicContact CE2-CD1 4.46Å; F533-L681 HydrophobicContact CE2-CD1 4.34Å; F533-L709 HydrophobicContact CD2-CD1 3.53Å; F533-L709 HydrophobicContact CD2-CG 4.15Å; F533-L709 HydrophobicContact CE1-CG 4.16Å; F533-L709 HydrophobicContact CE2-CD1 3.25Å; F533-L709 HydrophobicContact CE2-CG 3.7Å; F533-L709 HydrophobicContact CG-CD1 4.3Å; F533-L709 HydrophobicContact CZ-CD1 3.83Å; F533-L709 HydrophobicContact CZ-CG 3.71Å
534D91.4Very high96.1Very high137 Ų13721.1 Ų21.173%0.73311%0.11SC*.G310 helixtrans-50.2-43.3-171.5-171.145.2000113.5Q532Q532-D534 VanDerWaalsContact C-N 3.31Å; Q532-D534 PolarHBondContact O-N 3.04Å
535G93.6Very high96Very high31 Ų3128 Ų2832%0.3214%0.136SC..G310 helixtrans-100.72.5-179.700000115.6K485 S486 F533K485-G535 CarbonylContact O-C 3.58Å; K485-G535 VanDerWaalsContact O-C 3.28Å; K485-G535 WeakPolarHBondContact O-CA 3.02Å; S486-G535 WeakPolarHBondContact CA-O 3.46Å; S486-G535 WeakPolarHBondContact CB-O 3.32Å; F533-G535 VanDerWaalsContact C-N 3.3Å; F533-G535 PolarHBondContact O-N 3.42Å
536N96.3Very high95.9Very high1 Ų131.8 Ų31.81%0.00515%0.153CC..  trans-109.437.6-174.9-76.8-78000113.7L484 K485 M487 I528 Q532 F533 N538 L539 V540L484-N536 PolarHBondContact O-ND2 2.99Å; K485-N536 PolarHBondContact O-ND2 3.34Å; M487-N536 WeakPolarHBondContact CB-OD1 3.5Å; M487-N536 PolarHBondContact N-OD1 3.36Å; I528-N536 HydrophobicContact CG2-CB 3.62Å; I528-N536 VanDerWaalsContact CG2-CG 3.41Å; Q532-N536 WeakPolarHBondContact CB-ND2 3.27Å; Q532-N536 WeakPolarHBondContact O-CB 3.44Å; Q532-N536 PolarHBondContact O-ND2 3.17Å; F533-N536 PolarHBondContact O-N 3.11Å; N536-N538 PolarHBondContact O-N 2.72Å; N536-L539 HydrophobicContact CB-CB 4.31Å; N536-L539 PolarHBondContact O-N 2.58Å; N536-L539 VanDerWaalsContact O-N 3.1Å; N536-V540 WeakPolarHBondContact O-CG2 3.34Å; N536-V540 PolarHBondContact O-N 2.93Å; N536-V540 VanDerWaalsContact O-N 3.09Å
537S95.5Very high95.9Very high8 Ų834.6 Ų34.66%0.05616%0.163CC..Hα-helixtrans-55.9-35.5176.364.40000113.1V540 Y541S537-V540 PolarHBondContact O-N 3.4Å; S537-Y541 VanDerWaalsContact O-CB 3.29Å; S537-Y541 WeakPolarHBondContact O-CB 3.13Å; S537-Y541 PolarHBondContact O-N 3.44Å
538N96.4Very high95.9Very high39 Ų3939.7 Ų39.721%0.20919%0.187CC..Hα-helixtrans-60.3-47.7175.8-68.6-34.1000111.6M487 M489 N536 Y541 T542M487-N538 WeakPolarHBondContact O-CB 3.27Å; M487-N538 PolarHBondContact O-ND2 2.89Å; M489-N538 HydrophobicContact CE-CB 4.05Å; M489-N538 WeakPolarHBondContact CE-OD1 3.15Å; M489-N538 HydrophobicContact SD-CB 4.5Å; N536-N538 PolarHBondContact O-N 2.72Å; N538-Y541 PolarHBondContact O-N 3Å; N538-T542 PolarHBondContact O-N 3.17Å; N538-T542 PolarHBondContact O-OG1 2.58Å
539L97.5Very high95.9Very high1 Ų140 Ų401%0.00519%0.188CC..Hα-helixtrans-62.6-47.1177.5177.959.4000111.5M487 A492 L496 F525 I528 N536 Y541 T542 I543M487-L539 HydrophobicContact CE-CB 3.6Å; M487-L539 HydrophobicContact CE-CD1 3.67Å; M487-L539 HydrophobicContact CE-CD2 3.73Å; M487-L539 HydrophobicContact CE-CG 3.83Å; A492-L539 HydrophobicContact CB-CB 4.38Å; A492-L539 HydrophobicContact CB-CD1 4.25Å; L496-L539 HydrophobicContact CD2-CD1 3.61Å; F525-L539 HydrophobicContact CD1-CD1 3.93Å; F525-L539 HydrophobicContact CD1-CD2 4.23Å; F525-L539 HydrophobicContact CE1-CD1 3.84Å; I528-L539 HydrophobicContact CB-CD2 3.81Å; I528-L539 HydrophobicContact CD1-CD2 3.67Å; I528-L539 HydrophobicContact CG1-CD2 4.34Å; I528-L539 HydrophobicContact CG2-CD2 3.5Å; I528-L539 VanDerWaalsContact CG2-CD2 3.5Å; N536-L539 HydrophobicContact CB-CB 4.31Å; N536-L539 PolarHBondContact O-N 2.58Å; N536-L539 VanDerWaalsContact O-N 3.1Å; L539-Y541 VanDerWaalsContact C-N 3.29Å; L539-Y541 PolarHBondContact O-N 3.41Å; L539-T542 PolarHBondContact O-N 2.75Å; L539-T542 VanDerWaalsContact O-N 3.16Å; L539-I543 HydrophobicContact CD1-CD1 4.08Å; L539-I543 HydrophobicContact CD1-CG1 4.19Å; L539-I543 HydrophobicContact CD2-CD1 4.49Å; L539-I543 HydrophobicContact CG-CD1 3.92Å; L539-I543 HydrophobicContact CG-CG1 4.42Å; L539-I543 WeakPolarHBondContact O-CG1 3.36Å; L539-I543 PolarHBondContact O-N 3.46Å
540V97Very high96Very high2 Ų239.8 Ų39.81%0.01219%0.188CC..Hα-helixtrans-58.7-44.7179.6173.80000110.4F533 N536 S537 I543 I544 L677 L681 L704F533-V540 HydrophobicContact CD2-CG2 3.84Å; F533-V540 HydrophobicContact CE2-CG1 4.19Å; F533-V540 HydrophobicContact CE2-CG2 3.64Å; N536-V540 WeakPolarHBondContact O-CG2 3.34Å; N536-V540 PolarHBondContact O-N 2.93Å; N536-V540 VanDerWaalsContact O-N 3.09Å; S537-V540 PolarHBondContact O-N 3.4Å; V540-I543 PolarHBondContact O-N 3.27Å; V540-I544 HydrophobicContact CG1-CD1 4.08Å; V540-I544 WeakPolarHBondContact O-CG1 3.3Å; V540-I544 PolarHBondContact O-N 2.9Å; V540-L677 HydrophobicContact CG1-CD1 4.37Å; V540-L677 HydrophobicContact CG1-CD2 4.38Å; V540-L677 HydrophobicContact CG2-CD1 4.36Å; V540-L681 HydrophobicContact CG1-CD1 3.57Å; V540-L704 HydrophobicContact CG1-CD1 4.25Å; V540-L704 HydrophobicContact CG1-CD2 4.08Å
541Y96.3Very high96.2Very high22 Ų2241.4 Ų41.49%0.08619%0.193CC..Hα-helixtrans-60-47.4174.4178.6-110.7000112.1M489 S537 N538 L539 I543 I544 R545 E697 V700 L701 L704M489-Y541 HydrophobicContact CE-CD1 3.56Å; M489-Y541 HydrophobicContact CE-CE1 4.15Å; M489-Y541 HydrophobicContact SD-CD1 4.2Å; S537-Y541 VanDerWaalsContact O-CB 3.29Å; S537-Y541 WeakPolarHBondContact O-CB 3.13Å; S537-Y541 PolarHBondContact O-N 3.44Å; N538-Y541 PolarHBondContact O-N 3Å; L539-Y541 VanDerWaalsContact C-N 3.29Å; L539-Y541 PolarHBondContact O-N 3.41Å; Y541-I543 VanDerWaalsContact C-N 3.32Å; Y541-I543 PolarHBondContact O-N 3.44Å; Y541-I544 PolarHBondContact O-N 2.92Å; Y541-I544 VanDerWaalsContact O-N 3.16Å; Y541-R545 HydrophobicContact CD1-CG 4.49Å; Y541-R545 VanDerWaalsContact CE1-CD 3.45Å; Y541-R545 HydrophobicContact CE1-CG 4.15Å; Y541-R545 HydrophobicContact CE2-CG 4.17Å; Y541-R545 WeakPolarHBondContact O-CG 3.22Å; Y541-R545 PolarHBondContact O-N 3.08Å; Y541-E697 HydrophobicContact CE1-CB 4.36Å; Y541-E697 HydrophobicContact CE1-CG 4.41Å; Y541-E697 VanDerWaalsContact OH-CG 3.27Å; Y541-E697 WeakPolarHBondContact OH-CG 3.32Å; Y541-E697 PolarHBondContact OH-OE1 3.47Å; Y541-V700 HydrophobicContact CD2-CB 4.37Å; Y541-V700 HydrophobicContact CD2-CG1 3.7Å; Y541-V700 HydrophobicContact CE2-CB 4.16Å; Y541-V700 HydrophobicContact CE2-CG1 3.8Å; Y541-L701 HydrophobicContact CD1-CD2 4.34Å; Y541-L701 HydrophobicContact CG-CD2 4.04Å; Y541-L704 HydrophobicContact CD2-CD1 4.37Å
542T97.4Very high96.3Very high1 Ų143.9 Ų43.91%0.00621%0.207CC..Hα-helixtrans-59.9-41.3176.8-52.60000112M489 N493 L496 N538 L539 I544 R545 K546M489-T542 PolarHBondContact SD-OG1 3.29Å; N493-T542 WeakPolarHBondContact OD1-CG2 3.27Å; L496-T542 HydrophobicContact CB-CG2 4Å; L496-T542 HydrophobicContact CD2-CG2 3.97Å; L496-T542 HydrophobicContact CG-CG2 3.82Å; N538-T542 PolarHBondContact O-N 3.17Å; N538-T542 PolarHBondContact O-OG1 2.58Å; L539-T542 PolarHBondContact O-N 2.75Å; L539-T542 VanDerWaalsContact O-N 3.16Å; T542-I544 PolarHBondContact O-N 3.21Å; T542-R545 PolarHBondContact O-N 3.03Å; T542-K546 WeakPolarHBondContact O-CB 3.49Å; T542-K546 PolarHBondContact O-N 3.41Å
543I98Very high96.3Very high0 Ų041.9 Ų41.90%020%0.198CC..Hα-helixtrans-60.3-44.8174.9-72172.7000110.8L496 F525 I529 L539 V540 Y541 R545 K546 R547 F550 V674 L677 L678L496-I543 HydrophobicContact CD1-CG1 4.38Å; L496-I543 HydrophobicContact CD2-CG1 4.01Å; F525-I543 HydrophobicContact CD1-CD1 4.23Å; F525-I543 HydrophobicContact CG-CD1 4.45Å; I529-I543 HydrophobicContact CD1-CD1 4.01Å; L539-I543 HydrophobicContact CD1-CD1 4.08Å; L539-I543 HydrophobicContact CD1-CG1 4.19Å; L539-I543 HydrophobicContact CD2-CD1 4.49Å; L539-I543 HydrophobicContact CG-CD1 3.92Å; L539-I543 HydrophobicContact CG-CG1 4.42Å; L539-I543 WeakPolarHBondContact O-CG1 3.36Å; L539-I543 PolarHBondContact O-N 3.46Å; V540-I543 PolarHBondContact O-N 3.27Å; Y541-I543 VanDerWaalsContact C-N 3.32Å; Y541-I543 PolarHBondContact O-N 3.44Å; I543-R545 PolarHBondContact O-N 3.19Å; I543-K546 CarbonylContact O-C 3.56Å; I543-K546 PolarHBondContact O-N 3.36Å; I543-R547 WeakPolarHBondContact O-CA 3.47Å; I543-R547 PolarHBondContact O-N 2.94Å; I543-F550 HydrophobicContact CB-CE2 4.35Å; I543-F550 HydrophobicContact CG1-CE2 4.28Å; I543-F550 HydrophobicContact CG1-CZ 4.2Å; I543-F550 HydrophobicContact CG2-CD2 4.42Å; I543-F550 HydrophobicContact CG2-CE2 3.81Å; I543-F550 HydrophobicContact CG2-CZ 4.25Å; I543-V674 HydrophobicContact CG2-CG1 3.93Å; I543-L677 HydrophobicContact CG2-CD2 4.23Å; I543-L678 HydrophobicContact CG2-CD2 3.88Å; I543-L678 HydrophobicContact CG2-CG 4.34Å
544I96.6Very high96.3Very high8 Ų842 Ų424%0.04120%0.204CC..Hα-helixtrans-62.4-43177.6-70.8167.6000111.4V540 Y541 T542 R547 L678 L681 V682 V685 L704V540-I544 HydrophobicContact CG1-CD1 4.08Å; V540-I544 WeakPolarHBondContact O-CG1 3.3Å; V540-I544 PolarHBondContact O-N 2.9Å; Y541-I544 PolarHBondContact O-N 2.92Å; Y541-I544 VanDerWaalsContact O-N 3.16Å; T542-I544 PolarHBondContact O-N 3.21Å; I544-R547 WeakPolarHBondContact O-CB 3.3Å; I544-R547 WeakPolarHBondContact O-CD 3.45Å; I544-R547 VanDerWaalsContact O-CG 3.32Å; I544-R547 WeakPolarHBondContact O-CG 3.49Å; I544-R547 PolarHBondContact O-N 3.47Å; I544-R547 PolarHBondContact O-NH1 3.45Å; I544-L678 HydrophobicContact CG1-CD2 4.29Å; I544-L681 HydrophobicContact CD1-CB 3.9Å; I544-L681 HydrophobicContact CD1-CD1 4.35Å; I544-V682 HydrophobicContact CG1-CG2 4.46Å; I544-V682 HydrophobicContact CG2-CG2 4.27Å; I544-V685 HydrophobicContact CD1-CG2 4.08Å; I544-L704 HydrophobicContact CD1-CD1 4.45Å; I544-L704 HydrophobicContact CD1-CD2 4.19Å
545R95.7Very high96.5Very high146 Ų14641.7 Ų41.755%0.55120%0.203SC*.Hα-helixtrans-63.9-40.6176.9-72.5-168.173.2167.411.3112.6Y541 T542 I543 E697Y541-R545 HydrophobicContact CD1-CG 4.49Å; Y541-R545 VanDerWaalsContact CE1-CD 3.45Å; Y541-R545 HydrophobicContact CE1-CG 4.15Å; Y541-R545 HydrophobicContact CE2-CG 4.17Å; Y541-R545 WeakPolarHBondContact O-CG 3.22Å; Y541-R545 PolarHBondContact O-N 3.08Å; T542-R545 PolarHBondContact O-N 3.03Å; I543-R545 PolarHBondContact O-N 3.19Å; R545-E697 IonicContact CZ-OE1 3.57Å; R545-E697 IonicContact NH1-OE1 2.87Å; R545-E697 PolarHBondContact NH1-OE1 3.42Å; R545-E697 IonicContact NH2-OE1 3.59Å
546K97.1Very high96.5Very high79 Ų7940.7 Ų40.734%0.34319%0.19SC..THydrogen-bonded Turntrans-98.721.3-178.3-69.9-76.5-171.9155.60113E500 T542 I543 Q548 V549E500-K546 VanDerWaalsContact CD-NZ 3.35Å; E500-K546 IonicContact OE1-NZ 3.61Å; E500-K546 PolarHBondContact OE1-NZ 3.46Å; E500-K546 IonicContact OE2-NZ 2.88Å; E500-K546 PolarHBondContact OE2-NZ 2.83Å; T542-K546 WeakPolarHBondContact O-CB 3.49Å; T542-K546 PolarHBondContact O-N 3.41Å; I543-K546 CarbonylContact O-C 3.56Å; I543-K546 PolarHBondContact O-N 3.36Å; K546-Q548 PolarHBondContact O-N 2.77Å; K546-V549 HydrophobicContact CB-CG2 4.37Å; K546-V549 WeakPolarHBondContact O-CB 3.31Å; K546-V549 WeakPolarHBondContact O-CG2 3.48Å; K546-V549 PolarHBondContact O-N 3.47Å
547R97.7Very high96.2Very high60 Ų6042.8 Ų42.823%0.22621%0.208CC..Hα-helixtrans-50.2-30.8-177.364.4-173.3176.4-8513.6114.6I543 I544 V549 F550 Y551 L678 E686I543-R547 WeakPolarHBondContact O-CA 3.47Å; I543-R547 PolarHBondContact O-N 2.94Å; I544-R547 WeakPolarHBondContact O-CB 3.3Å; I544-R547 WeakPolarHBondContact O-CD 3.45Å; I544-R547 VanDerWaalsContact O-CG 3.32Å; I544-R547 WeakPolarHBondContact O-CG 3.49Å; I544-R547 PolarHBondContact O-N 3.47Å; I544-R547 PolarHBondContact O-NH1 3.45Å; R547-V549 VanDerWaalsContact C-N 3.25Å; R547-V549 PolarHBondContact O-N 3.05Å; R547-F550 PolarHBondContact O-N 3.11Å; R547-F550 VanDerWaalsContact O-N 3.16Å; R547-Y551 HydrophobicContact CB-CE2 4.26Å; R547-Y551 HydrophobicContact CG-CE2 4.02Å; R547-Y551 PolarHBondContact O-N 2.9Å; R547-Y551 VanDerWaalsContact O-N 3.16Å; R547-L678 HydrophobicContact CB-CD1 4Å; R547-L678 HydrophobicContact CB-CD2 3.67Å; R547-L678 HydrophobicContact CB-CG 4.47Å; R547-E686 IonicContact CZ-OE1 3.73Å; R547-E686 IonicContact NH2-OE1 2.85Å; R547-E686 PolarHBondContact NH2-OE1 3.47Å
548Q97.4Very high96Very high108 Ų10843.7 Ų43.751%0.50521%0.213SC..Hα-helixtrans-60.2-31.3177.8-62.2-59.6-16.100113.5K546 F550 Y551 Q552K546-Q548 PolarHBondContact O-N 2.77Å; Q548-F550 VanDerWaalsContact C-N 3.31Å; Q548-F550 PolarHBondContact O-N 2.82Å; Q548-Y551 PolarHBondContact O-N 3.35Å; Q548-Q552 WeakPolarHBondContact O-CB 3.38Å; Q548-Q552 VanDerWaalsContact O-CG 3.24Å; Q548-Q552 WeakPolarHBondContact O-CG 3.4Å; Q548-Q552 PolarHBondContact O-N 2.99Å
549V97.5Very high95.8Very high7 Ų745.4 Ų45.44%0.04222%0.222CC..Hα-helixtrans-60.9-43.3176.8179.10000110.3L499 E500 K546 R547 L553L499-V549 HydrophobicContact CD2-CG1 3.88Å; L499-V549 HydrophobicContact CG-CG1 3.95Å; E500-V549 HydrophobicContact CB-CG2 4.22Å; E500-V549 HydrophobicContact CG-CG2 4.15Å; K546-V549 HydrophobicContact CB-CG2 4.37Å; K546-V549 WeakPolarHBondContact O-CB 3.31Å; K546-V549 WeakPolarHBondContact O-CG2 3.48Å; K546-V549 PolarHBondContact O-N 3.47Å; R547-V549 VanDerWaalsContact C-N 3.25Å; R547-V549 PolarHBondContact O-N 3.05Å; V549-L553 WeakPolarHBondContact O-CB 3.38Å; V549-L553 PolarHBondContact O-N 3.45Å
550F98Very high95.4Very high0 Ų049.8 Ų49.80%025%0.246CC..Hα-helixtrans-70-39177.6-59.4-83.2000112.2L496 L499 L522 F525 I543 R547 Q548 L553 A554 L671 V674 M675 L678L496-F550 HydrophobicContact CD1-CE2 3.76Å; L496-F550 HydrophobicContact CD1-CZ 3.68Å; L499-F550 HydrophobicContact CD2-CD1 4Å; L499-F550 HydrophobicContact CD2-CE1 3.37Å; L499-F550 HydrophobicContact CD2-CE2 4.28Å; L499-F550 HydrophobicContact CD2-CZ 3.55Å; L522-F550 HydrophobicContact CD2-CD1 4.17Å; L522-F550 HydrophobicContact CD2-CE1 3.96Å; F525-F550 HydrophobicContact CD2-CE1 4.16Å; F525-F550 HydrophobicContact CD2-CZ 4.22Å; F525-F550 HydrophobicContact CE2-CZ 4.37Å; I543-F550 HydrophobicContact CB-CE2 4.35Å; I543-F550 HydrophobicContact CG1-CE2 4.28Å; I543-F550 HydrophobicContact CG1-CZ 4.2Å; I543-F550 HydrophobicContact CG2-CD2 4.42Å; I543-F550 HydrophobicContact CG2-CE2 3.81Å; I543-F550 HydrophobicContact CG2-CZ 4.25Å; R547-F550 PolarHBondContact O-N 3.11Å; R547-F550 VanDerWaalsContact O-N 3.16Å; Q548-F550 VanDerWaalsContact C-N 3.31Å; Q548-F550 PolarHBondContact O-N 2.82Å; F550-L553 PolarHBondContact O-N 3.39Å; F550-A554 WeakPolarHBondContact O-CB 3.31Å; F550-A554 PolarHBondContact O-N 3.27Å; F550-L671 HydrophobicContact CD1-CD2 4.33Å; F550-V674 HydrophobicContact CD1-CB 4.29Å; F550-V674 HydrophobicContact CD1-CG1 3.62Å; F550-V674 HydrophobicContact CD2-CG1 4.19Å; F550-V674 HydrophobicContact CE1-CB 4.35Å; F550-V674 HydrophobicContact CE1-CG1 3.66Å; F550-V674 HydrophobicContact CE1-CG2 4.22Å; F550-V674 HydrophobicContact CE2-CG1 4.22Å; F550-V674 HydrophobicContact CG-CG1 3.89Å; F550-V674 HydrophobicContact CZ-CG1 3.96Å; F550-M675 HydrophobicContact CB-SD 4.38Å; F550-L678 HydrophobicContact CB-CD1 4.15Å; F550-L678 HydrophobicContact CD2-CD1 4.27Å; F550-L678 HydrophobicContact CG-CD1 4.39Å
551Y97.3Very high95Very high64 Ų6452.6 Ų52.625%0.25127%0.265SS..Hα-helixtrans-66-39.3176.2-62.1-20.6000112.5R547 Q548 N555 M675 L678R547-Y551 HydrophobicContact CB-CE2 4.26Å; R547-Y551 HydrophobicContact CG-CE2 4.02Å; R547-Y551 PolarHBondContact O-N 2.9Å; R547-Y551 VanDerWaalsContact O-N 3.16Å; Q548-Y551 PolarHBondContact O-N 3.35Å; Y551-N555 WeakPolarHBondContact O-CB 3.47Å; Y551-N555 PolarHBondContact O-N 3.38Å; Y551-N555 PolarHBondContact O-ND2 3.36Å; Y551-M675 HydrophobicContact CD1-CE 3.76Å; Y551-M675 HydrophobicContact CD1-SD 3.84Å; Y551-M675 HydrophobicContact CE1-CE 3.88Å; Y551-M675 HydrophobicContact CE1-SD 3.92Å; Y551-L678 HydrophobicContact CE1-CD1 3.91Å
552Q95.7Very high94.7Very high131 Ų13152.7 Ų52.761%0.61227%0.27SS*.Hα-helixtrans-66.1-41.7174.8-73.91732.200111.3Q548 N555 L556Q548-Q552 WeakPolarHBondContact O-CB 3.38Å; Q548-Q552 VanDerWaalsContact O-CG 3.24Å; Q548-Q552 WeakPolarHBondContact O-CG 3.4Å; Q548-Q552 PolarHBondContact O-N 2.99Å; Q552-N555 CarbonylContact O-C 3.46Å; Q552-N555 VanDerWaalsContact O-C 3.32Å; Q552-N555 PolarHBondContact O-N 2.85Å; Q552-L556 PolarHBondContact O-N 3.16Å
553L95.1Very high94.4Very high3 Ų352.8 Ų52.82%0.01627%0.271CS..Hα-helixtrans-65.3-41.6177.1-17659.3000112.1L499 M508 I518 L522 V549 F550 N555 L556 L669 L671L499-L553 HydrophobicContact CD1-CD2 4.49Å; M508-L553 HydrophobicContact CE-CD1 3.81Å; I518-L553 HydrophobicContact CG2-CD1 4.29Å; I518-L553 HydrophobicContact CG2-CD2 3.58Å; L522-L553 HydrophobicContact CD1-CD2 4.11Å; L522-L553 HydrophobicContact CD2-CD2 4.41Å; V549-L553 WeakPolarHBondContact O-CB 3.38Å; V549-L553 PolarHBondContact O-N 3.45Å; F550-L553 PolarHBondContact O-N 3.39Å; L553-N555 VanDerWaalsContact C-N 3.3Å; L553-N555 PolarHBondContact O-N 3.02Å; L553-L556 WeakPolarHBondContact O-CB 3.46Å; L553-L556 PolarHBondContact O-N 2.66Å; L553-L669 HydrophobicContact CD1-CD1 4.02Å; L553-L669 HydrophobicContact CG-CD1 4.09Å; L553-L671 HydrophobicContact CD2-CD2 4.11Å; L553-L671 HydrophobicContact CG-CD1 4.48Å
554A94.9Very high93.9Very high33 Ų3356 Ų5627%0.27329%0.294SS..Hα-helixtrans-62.2-38.9174.200000112F550 L556 L671 M675F550-A554 WeakPolarHBondContact O-CB 3.31Å; F550-A554 PolarHBondContact O-N 3.27Å; A554-L556 VanDerWaalsContact C-N 3.34Å; A554-L671 HydrophobicContact CB-CD1 4.06Å; A554-M675 HydrophobicContact CB-CE 4.42Å
555N94.8Very high93.6Very high132 Ų13262.2 Ų62.271%0.70632%0.32SS*.THydrogen-bonded Turntrans-9420.8179.8-64.4-54.6000113.5Y551 Q552 L553 A557Y551-N555 WeakPolarHBondContact O-CB 3.47Å; Y551-N555 PolarHBondContact O-N 3.38Å; Y551-N555 PolarHBondContact O-ND2 3.36Å; Q552-N555 CarbonylContact O-C 3.46Å; Q552-N555 VanDerWaalsContact O-C 3.32Å; Q552-N555 PolarHBondContact O-N 2.85Å; L553-N555 VanDerWaalsContact C-N 3.3Å; L553-N555 PolarHBondContact O-N 3.02Å; N555-A557 PolarHBondContact O-N 3.36Å
556L93.5Very high93.3Very high10 Ų1056 Ų565%0.05230%0.3CS..  trans-54.8124.4-178.5-179.269.1000110.7P505 M508 F509 Q552 L553 A554 T558 V662 W665 K666P505-L556 HydrophobicContact CB-CD1 4.21Å; P505-L556 HydrophobicContact CG-CD1 3.87Å; M508-L556 HydrophobicContact CE-CD2 4.16Å; M508-L556 HydrophobicContact SD-CD2 3.52Å; M508-L556 VanDerWaalsContact SD-CD2 3.52Å; F509-L556 HydrophobicContact CE1-CD2 4.18Å; F509-L556 HydrophobicContact CZ-CD1 4.09Å; F509-L556 HydrophobicContact CZ-CD2 4.17Å; F509-L556 HydrophobicContact CZ-CG 4.27Å; Q552-L556 PolarHBondContact O-N 3.16Å; L553-L556 WeakPolarHBondContact O-CB 3.46Å; L553-L556 PolarHBondContact O-N 2.66Å; A554-L556 VanDerWaalsContact C-N 3.34Å; L556-T558 PolarHBondContact O-N 3.11Å; L556-V662 HydrophobicContact CD2-CG1 4.21Å; L556-W665 HydrophobicContact CD2-CH2 3.69Å; L556-W665 HydrophobicContact CD2-CZ3 4.26Å; L556-K666 HydrophobicContact CB-CD 4.4Å; L556-K666 WeakPolarHBondContact O-CE 3.44Å; L556-K666 PolarHBondContact O-NZ 3.39Å
557A91.4Very high92.8Very high45 Ų4554.8 Ų54.837%0.37230%0.297SS..  trans-66.9129.6177.900000110.5N555 A562N555-A557 PolarHBondContact O-N 3.36Å; A557-A562 HydrophobicContact CB-CB 3.57Å
558T90.3Very high92.2Very high26 Ų2655.6 Ų55.616%0.1631%0.309CS..  trans-112.80-17760.10000113.4L556 S659 V662 E663 K666L556-T558 PolarHBondContact O-N 3.11Å; T558-S659 VanDerWaalsContact O-CA 3.29Å; T558-S659 WeakPolarHBondContact O-CA 3.38Å; T558-S659 WeakPolarHBondContact O-CB 3.34Å; T558-S659 PolarHBondContact O-OG 3.37Å; T558-V662 HydrophobicContact CG2-CB 4.4Å; T558-V662 HydrophobicContact CG2-CG1 3.6Å; T558-E663 WeakPolarHBondContact CB-OE2 3.31Å; T558-E663 WeakPolarHBondContact CG2-OE2 3.37Å; T558-E663 PolarHBondContact OG1-OE2 3.44Å; T558-K666 HydrophobicContact CG2-CD 3.33Å
559D91.6Very high91.2Very high76 Ų7653.9 Ų53.941%0.40631%0.309SS..SBendtrans-72.1144.7176.564-74.9000112S561 A562 I563D559-S561 PolarHBondContact O-N 3.17Å; D559-S561 VanDerWaalsContact O-N 3.12Å; D559-S561 WeakPolarHBondContact OD2-CB 3.46Å; D559-S561 PolarHBondContact OD2-N 3.01Å; D559-S561 PolarHBondContact OD2-OG 3.34Å; D559-A562 PolarHBondContact O-N 3.2Å; D559-A562 WeakPolarHBondContact OD1-CB 2.89Å; D559-A562 WeakPolarHBondContact OD2-CB 3.25Å; D559-A562 PolarHBondContact OD2-N 2.75Å; D559-I563 WeakPolarHBondContact O-CG1 3.31Å; D559-I563 PolarHBondContact O-N 2.65Å
560D89.6Confident89.5Confident93 Ų9355.3 Ų55.350%0.49731%0.313SS..Hα-helixtrans-59.6-28.3-177.7-65.5-45.3000112.6S564 S659D560-S564 VanDerWaalsContact O-CB 3.24Å; D560-S564 WeakPolarHBondContact O-CB 3.21Å; D560-S564 PolarHBondContact O-N 3.44Å; D560-S564 PolarHBondContact O-OG 3.44Å; D560-S659 WeakPolarHBondContact OD1-CB 3.25Å; D560-S659 PolarHBondContact OD1-N 3.34Å
561S90Very high87.8Confident60 Ų6062.6 Ų62.642%0.4235%0.345SS..Hα-helixtrans-67.5-46.2175.4132.20000111.5D559 S564 K565D559-S561 PolarHBondContact O-N 3.17Å; D559-S561 VanDerWaalsContact O-N 3.12Å; D559-S561 WeakPolarHBondContact OD2-CB 3.46Å; D559-S561 PolarHBondContact OD2-N 3.01Å; D559-S561 PolarHBondContact OD2-OG 3.34Å; S561-S564 PolarHBondContact O-N 3.1Å; S561-K565 WeakPolarHBondContact O-CB 3.34Å; S561-K565 WeakPolarHBondContact O-CG 3.43Å; S561-K565 PolarHBondContact O-N 3.14Å; S561-K565 PolarHBondContact OG-NZ 2.83Å
562A89.6Confident85.8Confident24 Ų2468.9 Ų68.920%0.19837%0.368CS..Hα-helixtrans-65.4-41.9176.800000111.8A557 D559 K565 A566A557-A562 HydrophobicContact CB-CB 3.57Å; D559-A562 PolarHBondContact O-N 3.2Å; D559-A562 WeakPolarHBondContact OD1-CB 2.89Å; D559-A562 WeakPolarHBondContact OD2-CB 3.25Å; D559-A562 PolarHBondContact OD2-N 2.75Å; A562-K565 PolarHBondContact O-N 3.33Å; A562-A566 WeakPolarHBondContact O-CB 3.41Å; A562-A566 PolarHBondContact O-N 3.08Å
563I90.1Very high83.7Confident3 Ų365.3 Ų65.32%0.01536%0.361CS..Hα-helixtrans-59.9-49.7175.8-64.3167.8000110.1F509 D559 K565 A566 L567 A657 V662F509-I563 HydrophobicContact CD2-CB 4.24Å; F509-I563 HydrophobicContact CD2-CG1 4.15Å; F509-I563 HydrophobicContact CD2-CG2 3.92Å; F509-I563 HydrophobicContact CE2-CB 4.28Å; F509-I563 HydrophobicContact CE2-CG1 3.8Å; F509-I563 HydrophobicContact CE2-CG2 4.42Å; F509-I563 HydrophobicContact CG-CG2 4.27Å; F509-I563 HydrophobicContact CZ-CG1 4.14Å; D559-I563 WeakPolarHBondContact O-CG1 3.31Å; D559-I563 PolarHBondContact O-N 2.65Å; I563-K565 VanDerWaalsContact C-N 3.35Å; I563-K565 PolarHBondContact O-N 2.76Å; I563-A566 PolarHBondContact O-N 3.24Å; I563-L567 HydrophobicContact CG2-CD1 4.19Å; I563-L567 WeakPolarHBondContact O-CG 3.46Å; I563-L567 PolarHBondContact O-N 3.01Å; I563-A657 HydrophobicContact CG2-CB 3.84Å; I563-V662 HydrophobicContact CD1-CB 4.43Å; I563-V662 HydrophobicContact CD1-CG2 3.7Å; I563-V662 HydrophobicContact CG1-CG2 4.35Å
564S88.5Confident81.6Confident69 Ų6970.2 Ų70.248%0.48338%0.384SS..Hα-helixtrans-61.8-40.9178.5-61.50000112.3D560 S561 L567 T568D560-S564 VanDerWaalsContact O-CB 3.24Å; D560-S564 WeakPolarHBondContact O-CB 3.21Å; D560-S564 PolarHBondContact O-N 3.44Å; D560-S564 PolarHBondContact O-OG 3.44Å; S561-S564 PolarHBondContact O-N 3.1Å; S564-L567 PolarHBondContact O-N 2.97Å; S564-T568 WeakPolarHBondContact O-CB 3.49Å; S564-T568 VanDerWaalsContact O-CG2 3.29Å; S564-T568 WeakPolarHBondContact O-CG2 3.46Å; S564-T568 PolarHBondContact O-N 3.33Å; S564-T568 PolarHBondContact O-OG1 3.49Å
565K90.7Very high79.4Confident138 Ų13876.6 Ų76.660%0.641%0.408SS*.Hα-helixtrans-63.3-41.3174.8-77.4170.4-176.2167.40112.2S561 A562 I563 T568 S569S561-K565 WeakPolarHBondContact O-CB 3.34Å; S561-K565 WeakPolarHBondContact O-CG 3.43Å; S561-K565 PolarHBondContact O-N 3.14Å; S561-K565 PolarHBondContact OG-NZ 2.83Å; A562-K565 PolarHBondContact O-N 3.33Å; I563-K565 VanDerWaalsContact C-N 3.35Å; I563-K565 PolarHBondContact O-N 2.76Å; K565-T568 WeakPolarHBondContact CA-OG1 3.45Å; K565-T568 PolarHBondContact O-N 2.88Å; K565-T568 PolarHBondContact O-OG1 3.43Å; K565-S569 WeakPolarHBondContact O-CB 3.35Å; K565-S569 PolarHBondContact O-N 3.36Å; K565-S569 PolarHBondContact O-OG 3.44Å
566A88.9Confident77Confident16 Ų1681.1 Ų81.113%0.13242%0.415CS..Hα-helixtrans-64.6-40.9178.300000112P505 W506 F509 A562 I563 S569P505-A566 HydrophobicContact CB-CB 3.96Å; W506-A566 VanDerWaalsContact CB-O 3.28Å; W506-A566 WeakPolarHBondContact CB-O 3.36Å; F509-A566 HydrophobicContact CD2-CB 4.08Å; F509-A566 HydrophobicContact CE2-CB 4.31Å; A562-A566 WeakPolarHBondContact O-CB 3.41Å; A562-A566 PolarHBondContact O-N 3.08Å; I563-A566 PolarHBondContact O-N 3.24Å; A566-S569 PolarHBondContact O-OG 3.42Å; A566-S569 VanDerWaalsContact O-OG 3.07Å
567L87Confident74.3Confident53 Ų5383.5 Ų83.528%0.27743%0.433SS..Hα-helixtrans-72.6-35178.4-68.4173.9000112.7F509 I563 S564F509-L567 HydrophobicContact CB-CD2 3.88Å; F509-L567 HydrophobicContact CB-CG 4.23Å; I563-L567 HydrophobicContact CG2-CD1 4.19Å; I563-L567 WeakPolarHBondContact O-CG 3.46Å; I563-L567 PolarHBondContact O-N 3.01Å; S564-L567 PolarHBondContact O-N 2.97Å
568T84.8Confident71.8Confident77 Ų7784.8 Ų84.847%0.47245%0.45SS..Hα-helixtrans-81-33-178.551.50000113.9S564 K565 R570 K571 R572S564-T568 WeakPolarHBondContact O-CB 3.49Å; S564-T568 VanDerWaalsContact O-CG2 3.29Å; S564-T568 WeakPolarHBondContact O-CG2 3.46Å; S564-T568 PolarHBondContact O-N 3.33Å; S564-T568 PolarHBondContact O-OG1 3.49Å; K565-T568 WeakPolarHBondContact CA-OG1 3.45Å; K565-T568 PolarHBondContact O-N 2.88Å; K565-T568 PolarHBondContact O-OG1 3.43Å; T568-R570 PolarHBondContact O-N 2.92Å; T568-K571 PolarHBondContact O-N 2.93Å; T568-K571 VanDerWaalsContact O-N 3.17Å; T568-R572 PolarHBondContact O-N 3.37Å
569S75.1Confident69.3Low71 Ų7185.3 Ų85.350%0.49746%0.457SS..Hα-helixtrans-57.9-31.5177.567.70000112.3K565 A566K565-S569 WeakPolarHBondContact O-CB 3.35Å; K565-S569 PolarHBondContact O-N 3.36Å; K565-S569 PolarHBondContact O-OG 3.44Å; A566-S569 PolarHBondContact O-OG 3.42Å; A566-S569 VanDerWaalsContact O-OG 3.07Å
570R62.9Low67.1Low38 Ų3884.1 Ų84.114%0.14345%0.451CS..Hα-helixtrans-82.6-33.8175.4-171.8170.6171.7104.55.8114.3W506 T568 R572 A573 Q574 A579W506-R570 VanDerWaalsContact CE2-NH1 3.27Å; W506-R570 HydrophobicContact CG-CB 4.44Å; W506-R570 VanDerWaalsContact CZ2-CZ 3.5Å; T568-R570 PolarHBondContact O-N 2.92Å; R570-R572 PolarHBondContact O-N 2.9Å; R570-R572 VanDerWaalsContact O-N 3.16Å; R570-A573 CarbonylContact O-C 3.32Å; R570-A573 WeakPolarHBondContact O-CA 3.09Å; R570-A573 PolarHBondContact O-N 3.42Å; R570-Q574 WeakPolarHBondContact O-CB 3.26Å; R570-Q574 PolarHBondContact O-N 3.4Å; R570-A579 PolarHBondContact NH2-O 3.5Å
571K60.9Low64.4Low152 Ų15282.2 Ų82.266%0.66144%0.443SS*.Hα-helixtrans-52.9-40173.8-82.1-172.3175.9-178.50111T568 E575T568-K571 PolarHBondContact O-N 2.93Å; T568-K571 VanDerWaalsContact O-N 3.17Å; K571-E575 WeakPolarHBondContact O-CG 3.4Å; K571-E575 PolarHBondContact O-N 3.29Å
572R56.1Low61.4Low197 Ų19787.6 Ų87.674%0.74346%0.462SS*.Hα-helixtrans-69.4-28.5174.1-66.2-178.9177.5177.1-0.5114.8T568 R570T568-R572 PolarHBondContact O-N 3.37Å; R570-R572 PolarHBondContact O-N 2.9Å; R570-R572 VanDerWaalsContact O-N 3.16Å
573A52.4Low58.7Low55 Ų5591 Ų9146%0.45548%0.48SS..Hα-helixtrans-84.7-33.5177.800000112.5R570 R576 S577R570-A573 CarbonylContact O-C 3.32Å; R570-A573 WeakPolarHBondContact O-CA 3.09Å; R570-A573 PolarHBondContact O-N 3.42Å; A573-R576 CarbonylContact O-C 3.37Å; A573-R576 WeakPolarHBondContact O-CA 3.44Å; A573-R576 WeakPolarHBondContact O-CB 3.45Å; A573-R576 PolarHBondContact O-N 3.26Å; A573-S577 PolarHBondContact O-N 3.29Å
574Q50.1Low55.7Low107 Ų10794.5 Ų94.550%0.551%0.509SS..Hα-helixtrans-74.5-28.9-179.7-164.3168.3-6.400112.1R570 R576 S577R570-Q574 WeakPolarHBondContact O-CB 3.26Å; R570-Q574 PolarHBondContact O-N 3.4Å; Q574-R576 PolarHBondContact O-N 3.04Å; Q574-S577 PolarHBondContact O-N 3.18Å
575E48.7Very low52.7Low166 Ų16695.4 Ų95.478%0.77652%0.521SS*.THydrogen-bonded Turntrans-60.6-17164.7-75.9172-177.500112.9K571K571-E575 WeakPolarHBondContact O-CG 3.4Å; K571-E575 PolarHBondContact O-N 3.29Å
576R45.8Very low49.6Very low228 Ų22895.4 Ų95.486%0.8653%0.533SS*.THydrogen-bonded Turntrans-107.8-24.7178.3-66.9-177.8176.7-173.8-1.6114.5A573 Q574A573-R576 CarbonylContact O-C 3.37Å; A573-R576 WeakPolarHBondContact O-CA 3.44Å; A573-R576 WeakPolarHBondContact O-CB 3.45Å; A573-R576 PolarHBondContact O-N 3.26Å; Q574-R576 PolarHBondContact O-N 3.04Å
577S36.8Very low46.8Very low60 Ų6098.4 Ų98.442%0.4256%0.557SS.*  trans-156.6119.8177.9-172.90000111.5A573 Q574 A579A573-S577 PolarHBondContact O-N 3.29Å; Q574-S577 PolarHBondContact O-N 3.18Å; S577-A579 VanDerWaalsContact C-N 3.3Å; S577-A579 PolarHBondContact O-N 3.41Å; S577-A579 VanDerWaalsContact O-N 3.12Å
578G37.4Very low43.9Very low72 Ų72102.8 Ų102.874%0.74258%0.581SS**  trans-80.528.6-169.600000116.9
579A37.9Very low40.9Very low36 Ų36108.5 Ų108.530%0.29860%0.602SS.*SBendtrans-128.8163.1-174.300000113.7R570 S577R570-A579 PolarHBondContact NH2-O 3.5Å; S577-A579 VanDerWaalsContact C-N 3.3Å; S577-A579 PolarHBondContact O-N 3.41Å; S577-A579 VanDerWaalsContact O-N 3.12Å
580L45.1Very low38.6Very low52 Ų52111 Ų11127%0.27262%0.615SS.*SBendtrans-52158.2159.6-79.9169.5000109.8W506 Y507 E582W506-L580 HydrophobicContact CH2-CD2 3.57Å; W506-L580 HydrophobicContact CZ2-CD2 3.88Å; Y507-L580 HydrophobicContact CD2-CD2 3.99Å; Y507-L580 HydrophobicContact CE2-CD2 4.03Å; L580-E582 PolarHBondContact O-N 2.79Å
581P32.6Very low36.9Very low53 Ų53117.4 Ų117.434%0.34465%0.646SS.*SBendtrans-42127.6-168.5-24.932.5000111.3W506 V583W506-P581 HydrophobicContact CZ2-CG 4.46Å; P581-V583 WeakPolarHBondContact O-CG2 3.42Å; P581-V583 PolarHBondContact O-N 2.91Å
582E28.4Very low35.1Very low173 Ų173116.4 Ų116.481%0.80865%0.653SS**  trans-47.9106.9178.9-151168.7-156.300108.5L580 A584L580-E582 PolarHBondContact O-N 2.79Å; E582-A584 PolarHBondContact O-N 3.3Å
583V33.4Very low33.6Very low96 Ų96117 Ų11758%0.58266%0.66SS**  trans-72.674.9179.3-173.50000106.2P581 A585P581-V583 WeakPolarHBondContact O-CG2 3.42Å; P581-V583 PolarHBondContact O-N 2.91Å; V583-A585 PolarHBondContact O-N 3.42Å
584A26.6Very low32.2Very low75 Ų75123 Ų12362%0.6268%0.679SS**  trans-66.991167.800000107E582 T586E582-A584 PolarHBondContact O-N 3.3Å; A584-T586 PolarHBondContact O-N 3.48Å; A584-T586 PolarHBondContact O-OG1 3.18Å
585A26.1Very low31Very low89 Ų89121.4 Ų121.474%0.73669%0.692SS**  trans-5787.1165.200000108.5V583 A587V583-A585 PolarHBondContact O-N 3.42Å; A585-A587 VanDerWaalsContact C-N 3.28Å; A585-A587 PolarHBondContact O-N 2.92Å
586T24.3Very low30.1Very low138 Ų138120.5 Ų120.585%0.84770%0.697SS**  trans-92.968.216638.90000107.6A584A584-T586 PolarHBondContact O-N 3.48Å; A584-T586 PolarHBondContact O-OG1 3.18Å
587A29.8Very low29.1Very low79 Ų79118.6 Ų118.665%0.65370%0.698SS**SBendtrans168.688.2158.400000107.3A585A585-A587 VanDerWaalsContact C-N 3.28Å; A585-A587 PolarHBondContact O-N 2.92Å
588D26.6Very low28.5Very low144 Ų144119.2 Ų119.277%0.7771%0.714SS**  trans177.677.1146.2-85.4-20.6000107.5
589Q22.1Very low28.2Very low197 Ų197124.3 Ų124.392%0.92172%0.719SS**  trans-99.859.9163.1-79.7-166.5-1.700109.5
590V26.1Very low27.5Very low125 Ų125131 Ų13176%0.75874%0.743SS**  trans-155.6101.8154.9-1700000106.9
591E27.1Very low26.6Very low172 Ų172137.2 Ų137.280%0.80477%0.768SS**  -176.8139.8128.6-100.6175.2-171.900112.6
592T24Very low26.1Very low130 Ų130141.6 Ų141.680%0.79879%0.794SS**  trans-74.3132.4-166.4-42.60000110.8Q594T592-Q594 PolarHBondContact O-N 3.42Å
593K23.8Very low25.9Very low209 Ų209136.6 Ų136.691%0.90979%0.788SS**  trans-57.9108.6170.9-67.4178.4177.6-179.60110.3
594Q24.6Very low25.6Very low182 Ų182135.4 Ų135.485%0.8580%0.795SS**  trans-112.7111.6150.4-77.3-172.3-500107.5T592T592-Q594 PolarHBondContact O-N 3.42Å
595G23.9Very low25.6Very low74 Ų74141.6 Ų141.676%0.76381%0.812SS**  trans-68129.7177.600000110.4
596V29Very low26.2Very low147 Ų147142.8 Ų142.889%0.89180%0.802SS**  trans-99.6115158.6-176.90000105.5
597E24.7Very low27.5Very low188 Ų188137.4 Ų137.488%0.87977%0.774SS**  trans-65.5154-175-68.4177.5146.800112.3
598G25.6Very low29.3Very low73 Ų73136.1 Ų136.175%0.75376%0.763SS**  trans-57.8140.4-164.900000115.3Q600G598-Q600 PolarHBondContact O-N 3.28Å
599E30.3Very low31.8Very low179 Ų179132.9 Ų132.984%0.83674%0.741SS**  trans-56.899.5160.5-66.9178.7145.400110.2K601E599-K601 PolarHBondContact O-N 2.94Å; E599-K601 VanDerWaalsContact O-N 3.1Å
600Q22.6Very low34.7Very low175 Ų175124 Ų12482%0.81870%0.701SS**  trans-68.6102.8158.1-88-177.4-15.500108.2G598 V602G598-Q600 PolarHBondContact O-N 3.28Å; Q600-V602 PolarHBondContact O-N 3.48Å; Q600-V602 VanDerWaalsContact O-N 3.07Å
601K27.4Very low37.5Very low184 Ų184119 Ų11980%0.867%0.672SS**  trans-61104.6164.9-70.5-177.3177.3-179.20108.2E599E599-K601 PolarHBondContact O-N 2.94Å; E599-K601 VanDerWaalsContact O-N 3.1Å
602V22.1Very low40.2Very low145 Ų145112.4 Ų112.488%0.87965%0.645SS**  trans-91.4115.2166.7-178.80000107Q600Q600-V602 PolarHBondContact O-N 3.48Å; Q600-V602 VanDerWaalsContact O-N 3.07Å
603G24.6Very low42.9Very low67 Ų67108.6 Ų108.669%0.69162%0.621SS**SBendtrans150.6117.6176.700000109.9
604G25.7Very low45.3Very low71 Ų7199.6 Ų99.673%0.73259%0.588SS**  trans-56.9-179.3-164.200000117.6Q606G604-Q606 PolarHBondContact O-N 3.26Å
605E27.7Very low47.8Very low205 Ų205100.7 Ų100.796%0.95859%0.59SS**SBendtrans-52.528.6-164.5-64.9177.6141.100119.4G607E605-G607 PolarHBondContact O-N 3.07Å
606Q39.2Very low50.5Low115 Ų11598.9 Ų98.954%0.53756%0.564SS.*  trans-85.997.2166-62.7-176.82.100108.3G604G604-Q606 PolarHBondContact O-N 3.26Å
607G50.1Low52.9Low24 Ų2492.7 Ų92.725%0.24753%0.527CS..PPolyproline II helixtrans-50.1145.5176.300000111.5E605 Y609E605-G607 PolarHBondContact O-N 3.07Å; G607-Y609 WeakPolarHBondContact O-CD2 3.33Å; G607-Y609 WeakPolarHBondContact O-CE2 3.32Å; G607-Y609 PolarHBondContact O-N 2.72Å; G607-Y609 VanDerWaalsContact O-N 3.14Å
608A68.7Low55.5Low53 Ų5389 Ų8944%0.43851%0.508SS..PPolyproline II helixtrans-59122.1178.500000108.9V765A608-V765 HydrophobicContact CB-CB 4.15Å; A608-V765 WeakPolarHBondContact O-CA 3.3Å; A608-V765 WeakPolarHBondContact O-CB 3.19Å; A608-V765 WeakPolarHBondContact O-CG2 3.33Å; A608-V765 PolarHBondContact O-N 3.01Å
609Y79.2Confident58Low76 Ų7686.1 Ų86.130%0.29848%0.475SS..EExtended strand (participates in β ladder)trans-101.1153.4176.7-66.8-79.7000109.9G607 Y753 I762 Q763 K764G607-Y609 WeakPolarHBondContact O-CD2 3.33Å; G607-Y609 WeakPolarHBondContact O-CE2 3.32Å; G607-Y609 PolarHBondContact O-N 2.72Å; G607-Y609 VanDerWaalsContact O-N 3.14Å; Y609-Y753 AromaticContact CD2-CE1 3.69Å; Y609-Y753 HydrophobicContact CD2-CE1 3.69Å; Y609-Y753 HydrophobicContact CE2-CD1 4.37Å; Y609-Y753 AromaticContact CE2-CE1 3.76Å; Y609-Y753 HydrophobicContact CE2-CE1 3.76Å; Y609-I762 HydrophobicContact CD1-CG2 3.65Å; Y609-I762 HydrophobicContact CE1-CG2 4.46Å; Y609-I762 HydrophobicContact CG-CG2 4.15Å; Y609-Q763 CarbonylContact C-O 3.06Å; Y609-Q763 WeakPolarHBondContact CA-O 3.34Å; Y609-K764 HydrophobicContact CD1-CB 4.27Å; Y609-K764 HydrophobicContact CD1-CG 4.48Å; Y609-K764 HydrophobicContact CE1-CB 4.15Å; Y609-K764 HydrophobicContact CE1-CG 4.16Å
610S83.2Confident60.2Low11 Ų1180.5 Ų80.58%0.07745%0.453CS..EExtended strand (participates in β ladder)trans-129.9142168.868.50000110.2I762 Q763S610-I762 WeakPolarHBondContact O-CA 3.45Å; S610-Q763 PolarHBondContact N-O 3.08Å; S610-Q763 PolarHBondContact O-N 2.74Å
611A83.5Confident62.7Low18 Ų1877.4 Ų77.415%0.14944%0.44CS..EExtended strand (participates in β ladder)trans-96.5137175.600000109.6L744 F760 E761A611-L744 HydrophobicContact CB-CD1 4.06Å; A611-L744 HydrophobicContact CB-CG 4.42Å; A611-F760 HydrophobicContact CB-CD2 3.84Å; A611-F760 HydrophobicContact CB-CE2 4.15Å; A611-F760 HydrophobicContact CB-CG 4.47Å; A611-E761 CarbonylContact C-O 3.57Å; A611-E761 WeakPolarHBondContact CA-O 3.38Å
612S84.5Confident65.2Low34 Ų3468.8 Ų68.824%0.23840%0.403CS..PPolyproline II helixtrans-64.8142173.771.10000110.4F760 E761S612-F760 WeakPolarHBondContact O-CB 3.46Å; S612-F760 WeakPolarHBondContact OG-CB 3.44Å; S612-E761 PolarHBondContact N-O 3.24Å; S612-E761 PolarHBondContact OG-N 3.44Å
613V79.6Confident68Low51 Ų5162.6 Ų62.631%0.30937%0.365SS..PPolyproline II helixtrans-98.7143.9175-174.90000109W733V613-W733 HydrophobicContact CG1-CZ2 3.77Å
614G74.7Confident70.4Confident20 Ų2063.6 Ų63.621%0.20635%0.352CS..PPolyproline II helixtrans-60.9169.817500000113.2T616 W733G614-T616 PolarHBondContact O-N 3.26Å; G614-W733 VanDerWaalsContact O-CD1 3.3Å
615K78.2Confident71.9Confident204 Ų20467.6 Ų67.689%0.88735%0.349SS*.PPolyproline II helixtrans-64.1121.6177.7-71.3-177.1-179.41760110.4P617K615-P617 WeakPolarHBondContact O-CD 3.2Å
616T79.9Confident72.9Confident36 Ų3660.3 Ų60.322%0.22132%0.32CS..PPolyproline II helixtrans-63.1122.9173.8-520000110H409 F413 G614H409-T616 VanDerWaalsContact CD2-CG2 3.48Å; H409-T616 WeakPolarHBondContact CD2-CG2 3.43Å; H409-T616 PolarHBondContact CD2-OG1 2.93Å; H409-T616 PolarHBondContact NE2-OG1 3.48Å; F413-T616 HydrophobicContact CE1-CG2 4.42Å; F413-T616 HydrophobicContact CZ-CG2 3.81Å; G614-T616 PolarHBondContact O-N 3.26Å
617P78.6Confident72.7Confident17 Ų1760.1 Ų60.111%0.1134%0.337CS..PPolyproline II helixtrans-60.7151.2174.6-22.734000111.5K615 M622 G729K615-P617 WeakPolarHBondContact O-CD 3.2Å; P617-M622 HydrophobicContact CB-CG 3.99Å; P617-M622 HydrophobicContact CB-SD 4.11Å; P617-G729 WeakPolarHBondContact CG-O 3.32Å
618K79.8Confident71.9Confident111 Ų11162 Ų6248%0.48336%0.357SS..PPolyproline II helixtrans-69.3146.1174.9-67.4-174.4179.9-179.80110.1T620 M621 M622K618-T620 PolarHBondContact O-N 2.93Å; K618-M621 WeakPolarHBondContact O-CB 3.36Å; K618-M621 PolarHBondContact O-N 3.5Å; K618-M622 PolarHBondContact O-N 3.21Å
619I79.2Confident70.2Confident12 Ų1262.4 Ų62.46%0.06236%0.357CS..Hα-helixtrans-54.3-31.7178.3-168.759.4000113L416 D471 C472 T475 M621 M622 T623L416-I619 HydrophobicContact CD1-CD1 4.15Å; L416-I619 HydrophobicContact CD2-CD1 3.69Å; D471-I619 HydrophobicContact CB-CB 4.32Å; D471-I619 HydrophobicContact CB-CG2 3.75Å; C472-I619 HydrophobicContact CB-CD1 4.07Å; T475-I619 HydrophobicContact CG2-CD1 4.39Å; T475-I619 HydrophobicContact CG2-CG1 4.34Å; I619-M621 PolarHBondContact O-N 3.47Å; I619-M622 HydrophobicContact CD1-CB 4.42Å; I619-M622 CarbonylContact O-C 3.49Å; I619-M622 PolarHBondContact O-N 2.91Å; I619-T623 HydrophobicContact CD1-CG2 3.71Å; I619-T623 HydrophobicContact CG1-CG2 4.13Å; I619-T623 PolarHBondContact O-N 3.45Å; I619-T623 PolarHBondContact O-OG1 2.96Å
620T75.4Confident67.7Low62 Ų6264 Ų6438%0.3837%0.374SS..Hα-helixtrans-67.1-20.5178.353.80000113.9K618 I637K618-T620 PolarHBondContact O-N 2.93Å; T620-I637 HydrophobicContact CG2-CG2 4.04Å
621M76.1Confident65.3Low110 Ų11070 Ų7054%0.54241%0.405SS..Hα-helixtrans-91.7-17.1172.1-63.7175.3166.700112K618 I619 N727K618-M621 WeakPolarHBondContact O-CB 3.36Å; K618-M621 PolarHBondContact O-N 3.5Å; I619-M621 PolarHBondContact O-N 3.47Å; M621-N727 PolarHBondContact O-ND2 2.82Å; M621-N727 VanDerWaalsContact O-ND2 3.09Å
622M79.7Confident62.8Low2 Ų276.5 Ų76.51%0.0144%0.438CS..Hα-helixtrans-99.7-4.7-176.7-58.7-177.873.400113.1F413 P617 K618 I619 Y724 Q725 T730F413-M622 HydrophobicContact CD1-CE 3.59Å; F413-M622 HydrophobicContact CD2-CE 4.1Å; F413-M622 HydrophobicContact CE1-CE 3.28Å; F413-M622 HydrophobicContact CE1-SD 3.77Å; F413-M622 HydrophobicContact CE2-CE 3.82Å; F413-M622 HydrophobicContact CG-CE 3.98Å; F413-M622 HydrophobicContact CZ-CE 3.39Å; F413-M622 HydrophobicContact CZ-SD 3.88Å; P617-M622 HydrophobicContact CB-CG 3.99Å; P617-M622 HydrophobicContact CB-SD 4.11Å; K618-M622 PolarHBondContact O-N 3.21Å; I619-M622 HydrophobicContact CD1-CB 4.42Å; I619-M622 CarbonylContact O-C 3.49Å; I619-M622 PolarHBondContact O-N 2.91Å; M622-Y724 HydrophobicContact CB-CD2 4.32Å; M622-Y724 HydrophobicContact CB-CE2 4.36Å; M622-Y724 HydrophobicContact CE-CD2 4.44Å; M622-Y724 HydrophobicContact CE-CE2 3.98Å; M622-Y724 CarbonylContact O-C 3.54Å; M622-Y724 VanDerWaalsContact O-CA 3.25Å; M622-Y724 WeakPolarHBondContact O-CA 3.45Å; M622-Y724 VanDerWaalsContact O-CD2 3.29Å; M622-Y724 WeakPolarHBondContact O-CD2 3.48Å; M622-Q725 PolarHBondContact O-N 2.94Å; M622-T730 HydrophobicContact CE-CG2 4.01Å; M622-T730 WeakPolarHBondContact CE-OG1 3.31Å
623T80.5Confident60.2Low15 Ų1578.3 Ų78.39%0.09244%0.444CS..BIsolated β-bridgetrans-133.5147.4-176520000112L416 I619 R722 K723L416-T623 HydrophobicContact CD1-CG2 4.33Å; L416-T623 HydrophobicContact CD2-CG2 4.36Å; I619-T623 HydrophobicContact CD1-CG2 3.71Å; I619-T623 HydrophobicContact CG1-CG2 4.13Å; I619-T623 PolarHBondContact O-N 3.45Å; I619-T623 PolarHBondContact O-OG1 2.96Å; T623-R722 HydrophobicContact CG2-CB 4.14Å; T623-K723 CarbonylContact C-O 3.53Å; T623-K723 WeakPolarHBondContact CA-O 3.26Å
624E74.9Confident58Low88 Ų8879.2 Ų79.241%0.41145%0.452SS..PPolyproline II helixtrans-64.1145177-18.7-156.6109.500110.4K723 Q725E624-K723 HydrophobicContact CG-CB 3.93Å; E624-K723 WeakPolarHBondContact CG-O 3.32Å; E624-K723 PolarHBondContact N-O 3.45Å; E624-Q725 HydrophobicContact CB-CG 4.11Å; E624-Q725 VanDerWaalsContact CB-NE2 3.27Å; E624-Q725 VanDerWaalsContact CD-NE2 3.29Å; E624-Q725 HydrophobicContact CG-CG 3.57Å; E624-Q725 PolarHBondContact OE1-NE2 3.2Å
625K56.9Low55.9Low155 Ų15580.8 Ų80.867%0.67446%0.462SS*.PPolyproline II helixtrans-69.7131.4162.4-70.1-177.7178.9179.30108.2A627K625-A627 PolarHBondContact O-N 3.2Å
626P49.6Very low53.9Low53 Ų5373 Ų7334%0.34443%0.432SS..PPolyproline II helixtrans-59.5123.2-174.620.3-30.2000111.5G628 L720P626-G628 PolarHBondContact O-N 3.4Å; P626-L720 HydrophobicContact CB-CD2 4.04Å
627A34.7Very low52.1Low110 Ų11073.8 Ų73.891%0.90943%0.434SS*.THydrogen-bonded Turntrans-65.7114.6169.900000109.4K625K625-A627 PolarHBondContact O-N 3.2Å
628G33.2Very low50Low63 Ų6374.6 Ų74.665%0.64945%0.446SS*.THydrogen-bonded Turntrans118.95.1177.900000115.5P626 T630P626-G628 PolarHBondContact O-N 3.4Å; G628-T630 PolarHBondContact O-N 3.5Å
629S32.6Very low47.4Very low63 Ų6378.6 Ų78.644%0.44146%0.458SS..  trans-66.782161.258.10000110
630T27Very low45Very low109 Ų10984.7 Ų84.767%0.66949%0.486SS*.  trans-59.7142.9145.946.70000106.5G628 D632 L633G628-T630 PolarHBondContact O-N 3.5Å; T630-D632 PolarHBondContact O-N 3.12Å; T630-L633 PolarHBondContact O-N 2.95Å
631D32.5Very low42.6Very low136 Ų13690.4 Ų90.473%0.72751%0.508SS*.THydrogen-bonded Turntrans-54.86.1-166.1-92.6-42000117.1
632D31.2Very low40.3Very low156 Ų15690.3 Ų90.383%0.83451%0.514SS*.THydrogen-bonded Turntrans-107.2-5.2-175.3-75-28000116.2T630T630-D632 PolarHBondContact O-N 3.12Å
633L29.3Very low37.8Very low71 Ų7194.7 Ų94.737%0.37255%0.551SS.*SBendtrans-96.2136.8161-77.8166.1000108.4T630 A635 P718T630-L633 PolarHBondContact O-N 2.95Å; L633-A635 VanDerWaalsContact C-N 3.33Å; L633-A635 PolarHBondContact O-N 2.86Å; L633-P718 HydrophobicContact CD1-CG 4.36Å
634P34.1Very low35.1Very low71 Ų7197.9 Ų97.946%0.46157%0.573SS.*  trans-64.493.8-168.525.7-33.7000110.8T636 K668P634-T636 WeakPolarHBondContact CB-OG1 3.45Å; P634-T636 PolarHBondContact O-N 3.01Å; P634-K668 HydrophobicContact CB-CD 4.43Å
635A31Very low33Very low52 Ų5299.7 Ų99.743%0.4359%0.593SS.*G310 helixtrans-65.827.9164.400000111.9L633 I637 G638L633-A635 VanDerWaalsContact C-N 3.33Å; L633-A635 PolarHBondContact O-N 2.86Å; A635-I637 PolarHBondContact O-N 3.34Å; A635-G638 PolarHBondContact O-N 3.3Å; A635-G638 VanDerWaalsContact O-N 3.08Å
636T36.8Very low31.7Very low42 Ų4298.5 Ų98.526%0.25860%0.599SS.*G310 helixtrans-67.5-22.3-176.3-39.20000111.8P634 G638P634-T636 WeakPolarHBondContact CB-OG1 3.45Å; P634-T636 PolarHBondContact O-N 3.01Å; T636-G638 VanDerWaalsContact C-N 3.28Å; T636-G638 PolarHBondContact O-N 3.49Å
637I41.6Very low30.6Very low51 Ų51102.7 Ų102.726%0.26262%0.618SS.*G310 helixtrans-79.5-12.5176.7-52.5178.7000111.5F520 T620 A635F520-I637 HydrophobicContact CE1-CD1 3.83Å; F520-I637 HydrophobicContact CZ-CD1 4.06Å; T620-I637 HydrophobicContact CG2-CG2 4.04Å; A635-I637 PolarHBondContact O-N 3.34Å
638G33.6Very low30.3Very low34 Ų34102.4 Ų102.435%0.35161%0.609SS.*THydrogen-bonded Turntrans-109.7-14.9-170.800000117.4A635 T636A635-G638 PolarHBondContact O-N 3.3Å; A635-G638 VanDerWaalsContact O-N 3.08Å; T636-G638 VanDerWaalsContact C-N 3.28Å; T636-G638 PolarHBondContact O-N 3.49Å
639R25.1Very low30.2Very low196 Ų196108.4 Ų108.474%0.7462%0.62SS**  trans-95.391.6173.1-79.6-173.5-176.9175.55.9109.4E641R639-E641 VanDerWaalsContact C-N 3.31Å; R639-E641 PolarHBondContact O-N 2.94Å; R639-E641 VanDerWaalsContact O-N 3.13Å
640Q29.2Very low30.3Very low140 Ų140111.7 Ų111.765%0.65464%0.638SS**  trans-62.4107141.9-91.5179.2-4800105.3T642Q640-T642 PolarHBondContact O-N 3.48Å
641E26.1Very low30.9Very low181 Ų181112.2 Ų112.285%0.84664%0.637SS**  trans-54.398.2139.9-75.9178.717500104R639 A643R639-E641 VanDerWaalsContact C-N 3.31Å; R639-E641 PolarHBondContact O-N 2.94Å; R639-E641 VanDerWaalsContact O-N 3.13Å; E641-A643 PolarHBondContact O-N 3.33Å
642T26Very low31.4Very low108 Ų108114.4 Ų114.466%0.66365%0.648SS**  trans-48.8105.5149.647.10000103Q640 S644Q640-T642 PolarHBondContact O-N 3.48Å; T642-S644 PolarHBondContact O-N 2.88Å
643A28.1Very low32.2Very low94 Ų94114.3 Ų114.378%0.77764%0.643SS**  trans-54.394.5157.400000103.2E641E641-A643 PolarHBondContact O-N 3.33Å
644S24.9Very low34.3Very low82 Ų82115 Ų11557%0.57366%0.659SS**  trans-49.4129.6167.4-56.40000103.8T642 V646T642-S644 PolarHBondContact O-N 2.88Å; S644-V646 PolarHBondContact O-N 2.74Å
645P29.1Very low36.8Very low126 Ų126117 Ų11782%0.81866%0.657SS**  trans-65.689.1175.526.3-29.4000105.6N647P645-N647 PolarHBondContact O-N 3.23Å; P645-N647 VanDerWaalsContact O-N 3.13Å
646V29.3Very low39.4Very low131 Ų131119.4 Ų119.479%0.79467%0.667SS**  trans-59.8119.8165175.50000103.5S644S644-V646 PolarHBondContact O-N 2.74Å
647N26.5Very low41.9Very low141 Ų141118 Ų11875%0.75466%0.659SS**SBendtrans-34.2153.3174.6-86.3-30.3000113.4P645P645-N647 PolarHBondContact O-N 3.23Å; P645-N647 VanDerWaalsContact O-N 3.13Å
648S29.3Very low44.3Very low103 Ų103118 Ų11872%0.7266%0.664SS**SBendtrans72.3107.9161.653.10000117.2T650S648-T650 PolarHBondContact O-N 2.9Å
649Q31.5Very low47.2Very low189 Ų189118 Ų11888%0.88366%0.658SS**  26.291.8127.8-67.1177.4-19.400115.6
650T33.9Very low50.3Low133 Ų133117.4 Ų117.482%0.81666%0.661SS**  trans-180132.8135.838.80000110.6S648S648-T650 PolarHBondContact O-N 2.9Å
651D40Very low53.4Low120 Ų120112.9 Ų112.964%0.64264%0.638SS**  trans76.9107.1159.8-72.10.9000120.7Q653D651-Q653 HydrophobicContact CB-CB 4.48Å; D651-Q653 HydrophobicContact CB-CG 3.99Å; D651-Q653 PolarHBondContact O-N 3.39Å; D651-Q653 PolarHBondContact OD2-NE2 3.16Å
652D43.1Very low56.6Low181 Ų181104.2 Ų104.297%0.96860%0.598SS**  trans-59.350.5152.3-77-40.9000112.3A654D652-A654 PolarHBondContact O-N 3.17Å; D652-A654 VanDerWaalsContact O-N 3.12Å
653Q47.1Very low59.8Low154 Ų154101.8 Ų101.872%0.7258%0.579SS**  trans-76.8100.7172.5-84.6177.136.500109.2D651 W655D651-Q653 HydrophobicContact CB-CB 4.48Å; D651-Q653 HydrophobicContact CB-CG 3.99Å; D651-Q653 PolarHBondContact O-N 3.39Å; D651-Q653 PolarHBondContact OD2-NE2 3.16Å; Q653-W655 PolarHBondContact O-N 2.79Å
654A73.1Confident62.9Low86 Ų86100.2 Ų100.271%0.71156%0.563SS**  trans-49.3132.7170.100000110.5D652 T656D652-A654 PolarHBondContact O-N 3.17Å; D652-A654 VanDerWaalsContact O-N 3.12Å; A654-T656 PolarHBondContact O-N 3.25Å
655W87.1Confident66.3Low112 Ų11296.4 Ų96.442%0.42454%0.536SS..  trans-52.1136.1-179.8175.392000111.4F509 A511 P512 Q653 A657 W661F509-W655 WeakPolarHBondContact O-CZ3 3.28Å; A511-W655 VanDerWaalsContact C-CH2 3.4Å; A511-W655 VanDerWaalsContact C-CZ3 3.44Å; A511-W655 VanDerWaalsContact CA-CZ3 3.48Å; P512-W655 VanDerWaalsContact CA-CZ2 3.44Å; P512-W655 HydrophobicContact CB-CD2 4.13Å; P512-W655 HydrophobicContact CB-CH2 4.25Å; P512-W655 HydrophobicContact CB-CZ2 3.73Å; P512-W655 HydrophobicContact CG-CD2 4.26Å; Q653-W655 PolarHBondContact O-N 2.79Å; W655-A657 HydrophobicContact CH2-CB 4Å; W655-A657 HydrophobicContact CZ2-CB 4.44Å; W655-W661 HydrophobicContact CH2-CE3 4.47Å; W655-W661 AromaticContact CH2-CH2 3.95Å; W655-W661 HydrophobicContact CH2-CH2 3.95Å; W655-W661 HydrophobicContact CH2-CZ2 4.16Å; W655-W661 HydrophobicContact CH2-CZ3 4.11Å; W655-W661 AromaticContact CZ2-CD2 3.96Å; W655-W661 HydrophobicContact CZ2-CD2 3.96Å; W655-W661 AromaticContact CZ2-CE2 3.8Å; W655-W661 HydrophobicContact CZ2-CE3 4.14Å; W655-W661 HydrophobicContact CZ2-CH2 4.07Å; W655-W661 AromaticContact CZ2-CZ2 3.87Å; W655-W661 HydrophobicContact CZ2-CZ2 3.87Å; W655-W661 HydrophobicContact CZ2-CZ3 4.19Å
656T86.5Confident69.4Low104 Ų10492.6 Ų92.664%0.63851%0.506SS*.  trans-134.9144.9174.453.30000110.2A654 S658A654-T656 PolarHBondContact O-N 3.25Å; T656-S658 PolarHBondContact O-N 3.44Å
657A89.4Confident72.3Confident11 Ų1193.5 Ų93.59%0.09150%0.501CS..  trans-65.4129.4177.300000110.6F509 I563 W655 W661F509-A657 HydrophobicContact CB-CB 3.8Å; F509-A657 HydrophobicContact CG-CB 4.29Å; I563-A657 HydrophobicContact CG2-CB 3.84Å; W655-A657 HydrophobicContact CH2-CB 4Å; W655-A657 HydrophobicContact CZ2-CB 4.44Å; A657-W661 HydrophobicContact CB-CE3 3.81Å; A657-W661 HydrophobicContact CB-CZ3 3.75Å
658S91.4Very high75.6Confident52 Ų5291.8 Ų91.836%0.36449%0.487SS..  trans-111.5154.9174.364.10000111.1T656 K660 W661 V662T656-S658 PolarHBondContact O-N 3.44Å; S658-K660 VanDerWaalsContact C-N 3.27Å; S658-K660 PolarHBondContact O-N 3.23Å; S658-W661 WeakPolarHBondContact O-CB 3.35Å; S658-W661 PolarHBondContact O-N 3.27Å; S658-W661 WeakPolarHBondContact OG-CB 3.42Å; S658-W661 PolarHBondContact OG-N 3.1Å; S658-V662 PolarHBondContact O-N 2.77Å
659S93.5Very high78.7Confident33 Ų3387.6 Ų87.623%0.23146%0.457CS..Hα-helixtrans-51.2-46174.3179.40000112.7T558 D560 W661 V662 E663T558-S659 VanDerWaalsContact O-CA 3.29Å; T558-S659 WeakPolarHBondContact O-CA 3.38Å; T558-S659 WeakPolarHBondContact O-CB 3.34Å; T558-S659 PolarHBondContact O-OG 3.37Å; D560-S659 WeakPolarHBondContact OD1-CB 3.25Å; D560-S659 PolarHBondContact OD1-N 3.34Å; S659-W661 VanDerWaalsContact C-N 3.33Å; S659-W661 PolarHBondContact O-N 3.44Å; S659-V662 PolarHBondContact O-N 3.36Å; S659-E663 WeakPolarHBondContact O-CB 3.32Å; S659-E663 PolarHBondContact O-N 2.94Å
660K92.2Very high81.8Confident185 Ų18580.8 Ų80.880%0.80443%0.429SS*.Hα-helixtrans-59.1-42177.1-68.7-176.5179.6178.30112.5S658 S664S658-K660 VanDerWaalsContact C-N 3.27Å; S658-K660 PolarHBondContact O-N 3.23Å; K660-S664 WeakPolarHBondContact O-CB 3.47Å; K660-S664 PolarHBondContact O-N 3.33Å; K660-S664 VanDerWaalsContact O-N 3.1Å
661W93.5Very high84.7Confident44 Ų4475.4 Ų75.417%0.16740%0.395CS..Hα-helixtrans-65.9-46.3177.9171.579.7000111.4F509 P512 H515 W655 A657 S658 S659 E663 S664 W665F509-W661 HydrophobicContact CD1-CZ3 4.09Å; P512-W661 VanDerWaalsContact O-CZ2 3.32Å; P512-W661 WeakPolarHBondContact O-CZ2 3.43Å; H515-W661 AromaticContact CE1-CZ2 3.88Å; H515-W661 AromaticContact ND1-CZ2 3.45Å; H515-W661 WeakPolarHBondContact ND1-CZ2 3.45Å; W655-W661 HydrophobicContact CH2-CE3 4.47Å; W655-W661 AromaticContact CH2-CH2 3.95Å; W655-W661 HydrophobicContact CH2-CH2 3.95Å; W655-W661 HydrophobicContact CH2-CZ2 4.16Å; W655-W661 HydrophobicContact CH2-CZ3 4.11Å; W655-W661 AromaticContact CZ2-CD2 3.96Å; W655-W661 HydrophobicContact CZ2-CD2 3.96Å; W655-W661 AromaticContact CZ2-CE2 3.8Å; W655-W661 HydrophobicContact CZ2-CE3 4.14Å; W655-W661 HydrophobicContact CZ2-CH2 4.07Å; W655-W661 AromaticContact CZ2-CZ2 3.87Å; W655-W661 HydrophobicContact CZ2-CZ2 3.87Å; W655-W661 HydrophobicContact CZ2-CZ3 4.19Å; A657-W661 HydrophobicContact CB-CE3 3.81Å; A657-W661 HydrophobicContact CB-CZ3 3.75Å; S658-W661 WeakPolarHBondContact O-CB 3.35Å; S658-W661 PolarHBondContact O-N 3.27Å; S658-W661 WeakPolarHBondContact OG-CB 3.42Å; S658-W661 PolarHBondContact OG-N 3.1Å; S659-W661 VanDerWaalsContact C-N 3.33Å; S659-W661 PolarHBondContact O-N 3.44Å; W661-E663 VanDerWaalsContact C-N 3.35Å; W661-E663 PolarHBondContact O-N 3.49Å; W661-S664 WeakPolarHBondContact O-CB 3.26Å; W661-S664 PolarHBondContact O-N 2.96Å; W661-S664 PolarHBondContact O-OG 2.8Å; W661-W665 AromaticContact CD2-NE1 3.6Å; W661-W665 AromaticContact CE2-CD1 3.93Å; W661-W665 AromaticContact CE2-NE1 3.42Å; W661-W665 AromaticContact CE3-NE1 3.73Å; W661-W665 HydrophobicContact CH2-CZ2 4.14Å; W661-W665 AromaticContact CH2-NE1 3.55Å; W661-W665 AromaticContact CZ2-NE1 3.4Å; W661-W665 HydrophobicContact CZ3-CZ2 4.05Å; W661-W665 AromaticContact CZ3-NE1 3.71Å; W661-W665 PolarHBondContact O-NE1 3.25Å
662V93.8Very high87.4Confident0 Ų076.6 Ų76.60%040%0.397CS..Hα-helixtrans-60-45.6177.4179.30000111.1F509 L556 T558 I563 S658 S659 S664 W665 K666F509-V662 HydrophobicContact CD1-CG2 3.93Å; F509-V662 HydrophobicContact CE1-CB 4.46Å; F509-V662 HydrophobicContact CE1-CG1 3.94Å; F509-V662 HydrophobicContact CE1-CG2 3.57Å; F509-V662 HydrophobicContact CZ-CG1 4.34Å; F509-V662 HydrophobicContact CZ-CG2 4.21Å; L556-V662 HydrophobicContact CD2-CG1 4.21Å; T558-V662 HydrophobicContact CG2-CB 4.4Å; T558-V662 HydrophobicContact CG2-CG1 3.6Å; I563-V662 HydrophobicContact CD1-CB 4.43Å; I563-V662 HydrophobicContact CD1-CG2 3.7Å; I563-V662 HydrophobicContact CG1-CG2 4.35Å; S658-V662 PolarHBondContact O-N 2.77Å; S659-V662 PolarHBondContact O-N 3.36Å; V662-S664 VanDerWaalsContact C-N 3.27Å; V662-S664 PolarHBondContact O-N 3.31Å; V662-W665 HydrophobicContact CB-CZ2 4.09Å; V662-W665 HydrophobicContact CG1-CH2 3.84Å; V662-W665 HydrophobicContact CG1-CZ2 3.67Å; V662-W665 HydrophobicContact CG2-CZ2 4.18Å; V662-W665 PolarHBondContact O-N 3.21Å; V662-K666 WeakPolarHBondContact O-CB 3.2Å; V662-K666 PolarHBondContact O-N 2.97Å
663E93.4Very high89.9Confident56 Ų5668.3 Ų68.326%0.26235%0.353SS..Hα-helixtrans-63.5-33.3-179.6-159.962.4-139.400112.2T558 S659 W661 W665 Q667T558-E663 WeakPolarHBondContact CB-OE2 3.31Å; T558-E663 WeakPolarHBondContact CG2-OE2 3.37Å; T558-E663 PolarHBondContact OG1-OE2 3.44Å; S659-E663 WeakPolarHBondContact O-CB 3.32Å; S659-E663 PolarHBondContact O-N 2.94Å; W661-E663 VanDerWaalsContact C-N 3.35Å; W661-E663 PolarHBondContact O-N 3.49Å; E663-W665 VanDerWaalsContact C-N 3.26Å; E663-W665 PolarHBondContact O-N 3.04Å; E663-Q667 VanDerWaalsContact OE1-CG 3.29Å; E663-Q667 WeakPolarHBondContact OE1-CG 3.26Å; E663-Q667 PolarHBondContact OE1-NE2 2.71Å
664S93.4Very high92.2Very high62 Ų6261 Ų6143%0.43432%0.319SS..Hα-helixtrans-60.8-29.6-177.578.50000114.7K660 W661 V662 K668K660-S664 WeakPolarHBondContact O-CB 3.47Å; K660-S664 PolarHBondContact O-N 3.33Å; K660-S664 VanDerWaalsContact O-N 3.1Å; W661-S664 WeakPolarHBondContact O-CB 3.26Å; W661-S664 PolarHBondContact O-N 2.96Å; W661-S664 PolarHBondContact O-OG 2.8Å; V662-S664 VanDerWaalsContact C-N 3.27Å; V662-S664 PolarHBondContact O-N 3.31Å; S664-K668 WeakPolarHBondContact O-CE 3.31Å; S664-K668 PolarHBondContact O-NZ 2.93Å
665W94.6Very high93.4Very high2 Ų258.9 Ų58.91%0.00830%0.295CS..Hα-helixtrans-113.7-26.8179.158.2-104.5000112.9M508 F509 H515 F519 L556 W661 V662 E663 Q667 K668 L669M508-W665 HydrophobicContact CG-CH2 3.91Å; M508-W665 HydrophobicContact CG-CZ2 4.17Å; M508-W665 HydrophobicContact SD-CH2 3.12Å; M508-W665 WeakPolarHBondContact SD-CH2 3.48Å; M508-W665 HydrophobicContact SD-CZ2 3.95Å; M508-W665 HydrophobicContact SD-CZ3 3.71Å; F509-W665 HydrophobicContact CE1-CH2 4.5Å; F509-W665 HydrophobicContact CE1-CZ2 4.34Å; H515-W665 HydrophobicContact CB-CD2 3.93Å; H515-W665 HydrophobicContact CB-CE3 4.07Å; H515-W665 HydrophobicContact CB-CH2 4.33Å; H515-W665 HydrophobicContact CB-CZ2 4.05Å; H515-W665 HydrophobicContact CB-CZ3 4.29Å; H515-W665 AromaticContact CD2-CD1 3.64Å; H515-W665 AromaticContact CD2-CD2 3.57Å; H515-W665 AromaticContact CD2-CG 3.35Å; H515-W665 AromaticContact CD2-NE1 3.99Å; H515-W665 AromaticContact CG-CD2 3.85Å; H515-W665 AromaticContact CG-CE2 3.89Å; H515-W665 AromaticContact CG-CG 4Å; H515-W665 AromaticContact CG-NE1 3.91Å; H515-W665 AromaticContact NE2-CD1 3.68Å; H515-W665 AromaticContact NE2-CG 3.72Å; F519-W665 HydrophobicContact CE2-CB 4.3Å; F519-W665 HydrophobicContact CE2-CE3 4.3Å; F519-W665 HydrophobicContact CZ-CB 4.42Å; F519-W665 WeakPolarHBondContact CZ-O 3.49Å; L556-W665 HydrophobicContact CD2-CH2 3.69Å; L556-W665 HydrophobicContact CD2-CZ3 4.26Å; W661-W665 AromaticContact CD2-NE1 3.6Å; W661-W665 AromaticContact CE2-CD1 3.93Å; W661-W665 AromaticContact CE2-NE1 3.42Å; W661-W665 AromaticContact CE3-NE1 3.73Å; W661-W665 HydrophobicContact CH2-CZ2 4.14Å; W661-W665 AromaticContact CH2-NE1 3.55Å; W661-W665 AromaticContact CZ2-NE1 3.4Å; W661-W665 HydrophobicContact CZ3-CZ2 4.05Å; W661-W665 AromaticContact CZ3-NE1 3.71Å; W661-W665 PolarHBondContact O-NE1 3.25Å; V662-W665 HydrophobicContact CB-CZ2 4.09Å; V662-W665 HydrophobicContact CG1-CH2 3.84Å; V662-W665 HydrophobicContact CG1-CZ2 3.67Å; V662-W665 HydrophobicContact CG2-CZ2 4.18Å; V662-W665 PolarHBondContact O-N 3.21Å; E663-W665 VanDerWaalsContact C-N 3.26Å; E663-W665 PolarHBondContact O-N 3.04Å; W665-Q667 VanDerWaalsContact C-N 3.31Å; W665-Q667 PolarHBondContact O-N 2.92Å; W665-K668 WeakPolarHBondContact O-CB 3.18Å; W665-K668 PolarHBondContact O-N 2.86Å; W665-L669 HydrophobicContact CE3-CD2 4.46Å; W665-L669 HydrophobicContact CE3-CG 4.48Å; W665-L669 HydrophobicContact CZ3-CD1 4.23Å; W665-L669 PolarHBondContact O-N 3.41Å
666K94.4Very high93.8Very high46 Ų4658.4 Ų58.420%0.229%0.293CS..Hα-helixtrans-56.5-44.6179.3178.2-169.8167.1-169.20111.8L556 T558 V662 K668 L669L556-K666 HydrophobicContact CB-CD 4.4Å; L556-K666 WeakPolarHBondContact O-CE 3.44Å; L556-K666 PolarHBondContact O-NZ 3.39Å; T558-K666 HydrophobicContact CG2-CD 3.33Å; V662-K666 WeakPolarHBondContact O-CB 3.2Å; V662-K666 PolarHBondContact O-N 2.97Å; K666-K668 PolarHBondContact O-N 2.93Å; K666-K668 VanDerWaalsContact O-N 3.15Å; K666-L669 HydrophobicContact CG-CD1 4.31Å; K666-L669 WeakPolarHBondContact O-CB 3.2Å; K666-L669 WeakPolarHBondContact O-CG 3.5Å; K666-L669 PolarHBondContact O-N 3.35Å; K666-L669 VanDerWaalsContact O-N 3.17Å
667Q91.5Very high94.3Very high149 Ų14953.5 Ų53.570%0.69626%0.262SS*.THydrogen-bonded Turntrans-63.4-19.7179.6-63.5-176.70.500113.2E663 W665E663-Q667 VanDerWaalsContact OE1-CG 3.29Å; E663-Q667 WeakPolarHBondContact OE1-CG 3.26Å; E663-Q667 PolarHBondContact OE1-NE2 2.71Å; W665-Q667 VanDerWaalsContact C-N 3.31Å; W665-Q667 PolarHBondContact O-N 2.92Å
668K94.7Very high94.7Very high105 Ų10553 Ų5346%0.45726%0.258SS..THydrogen-bonded Turntrans-95.1-1.6-178.3-59.6175-177.6166.60113.1F519 P634 S664 W665 K666F519-K668 HydrophobicContact CE1-CB 4.27Å; F519-K668 VanDerWaalsContact CE1-O 3.31Å; F519-K668 WeakPolarHBondContact CE1-O 3.22Å; F519-K668 HydrophobicContact CZ-CB 4.14Å; P634-K668 HydrophobicContact CB-CD 4.43Å; S664-K668 WeakPolarHBondContact O-CE 3.31Å; S664-K668 PolarHBondContact O-NZ 2.93Å; W665-K668 WeakPolarHBondContact O-CB 3.18Å; W665-K668 PolarHBondContact O-N 2.86Å; K666-K668 PolarHBondContact O-N 2.93Å; K666-K668 VanDerWaalsContact O-N 3.15Å
669L95.4Very high94.9Very high16 Ų1655.9 Ų55.98%0.08427%0.266CS..  trans-59.9125.9179.4-72.8170.5000110.1I518 F519 L522 L553 W665 K666 L671I518-L669 HydrophobicContact CG2-CD2 3.92Å; F519-L669 HydrophobicContact CD2-CD2 4.03Å; F519-L669 HydrophobicContact CE1-CD2 4.48Å; F519-L669 HydrophobicContact CE2-CD2 3.61Å; F519-L669 HydrophobicContact CE2-CG 4.43Å; F519-L669 HydrophobicContact CZ-CD2 3.87Å; F519-L669 HydrophobicContact CZ-CG 4.32Å; L522-L669 HydrophobicContact CD1-CB 4.26Å; L522-L669 HydrophobicContact CD1-CD2 3.99Å; L553-L669 HydrophobicContact CD1-CD1 4.02Å; L553-L669 HydrophobicContact CG-CD1 4.09Å; W665-L669 HydrophobicContact CE3-CD2 4.46Å; W665-L669 HydrophobicContact CE3-CG 4.48Å; W665-L669 HydrophobicContact CZ3-CD1 4.23Å; W665-L669 PolarHBondContact O-N 3.41Å; K666-L669 HydrophobicContact CG-CD1 4.31Å; K666-L669 WeakPolarHBondContact O-CB 3.2Å; K666-L669 WeakPolarHBondContact O-CG 3.5Å; K666-L669 PolarHBondContact O-N 3.35Å; K666-L669 VanDerWaalsContact O-N 3.17Å; L669-L671 HydrophobicContact CB-CD1 4Å; L669-L671 HydrophobicContact CB-CG 4.05Å; L669-L671 HydrophobicContact CD1-CD1 4.29Å; L669-L671 PolarHBondContact O-N 3.47Å
670P95.3Very high95Very high45 Ų4555.3 Ų55.329%0.29226%0.261SS..  trans-79.658.8-174.533.6-37.3000111.8L522 N526L522-P670 HydrophobicContact CB-CG 3.82Å; L522-P670 HydrophobicContact CD1-CG 4.29Å; N526-P670 PolarHBondContact ND2-O 3.22Å
671L96Very high95.2Very high20 Ų2046.9 Ų46.911%0.10523%0.225CC..  trans-83-16.8-176-71.6167.7000113.6L522 F550 L553 A554 L669 T673 V674 M675L522-L671 HydrophobicContact CD1-CD2 3.78Å; L522-L671 HydrophobicContact CD1-CG 4.09Å; L522-L671 HydrophobicContact CD2-CD2 3.74Å; L522-L671 HydrophobicContact CG-CD2 4.44Å; F550-L671 HydrophobicContact CD1-CD2 4.33Å; L553-L671 HydrophobicContact CD2-CD2 4.11Å; L553-L671 HydrophobicContact CG-CD1 4.48Å; A554-L671 HydrophobicContact CB-CD1 4.06Å; L669-L671 HydrophobicContact CB-CD1 4Å; L669-L671 HydrophobicContact CB-CG 4.05Å; L669-L671 HydrophobicContact CD1-CD1 4.29Å; L669-L671 PolarHBondContact O-N 3.47Å; L671-T673 VanDerWaalsContact C-N 3.33Å; L671-T673 PolarHBondContact O-N 3.21Å; L671-V674 PolarHBondContact O-N 3Å; L671-M675 HydrophobicContact CB-CG 4.07Å; L671-M675 WeakPolarHBondContact O-CB 3.4Å; L671-M675 WeakPolarHBondContact O-CG 3.19Å; L671-M675 PolarHBondContact O-N 3.07Å
672Q95.6Very high95.3Very high145 Ų14545.3 Ų45.368%0.67822%0.22SC*.Hα-helixtrans-54.6-45.3-169.6-168.9-175.72.700113.1R676 P714Q672-R676 VanDerWaalsContact O-CB 3.26Å; Q672-R676 WeakPolarHBondContact O-CB 3.33Å; Q672-R676 PolarHBondContact O-N 3.3Å; Q672-P714 HydrophobicContact CG-CG 3.8Å
673T95.9Very high95.3Very high8 Ų848.7 Ų48.75%0.04924%0.242CC..Hα-helixtrans-64.9-50.8-179.4-61.70000111.9N526 I529 Q530 L671 M675 R676 L677 L713N526-T673 WeakPolarHBondContact OD1-CB 3.24Å; I529-T673 HydrophobicContact CB-CG2 4.23Å; I529-T673 HydrophobicContact CG2-CG2 3.72Å; Q530-T673 HydrophobicContact CG-CG2 3.87Å; Q530-T673 PolarHBondContact NE2-OG1 3.35Å; Q530-T673 VanDerWaalsContact NE2-OG1 3.11Å; L671-T673 VanDerWaalsContact C-N 3.33Å; L671-T673 PolarHBondContact O-N 3.21Å; T673-M675 PolarHBondContact O-N 2.73Å; T673-R676 PolarHBondContact O-N 2.89Å; T673-L677 PolarHBondContact O-N 3.31Å; T673-L713 HydrophobicContact CG2-CD2 4.39Å
674V96.7Very high95.3Very high0 Ų050 Ų500%025%0.248CC..Hα-helixtrans-63.8-42.4178.2-178.90000111.3F525 N526 I529 I543 F550 L671 R676 L677 L678F525-V674 HydrophobicContact CB-CG2 4.17Å; N526-V674 WeakPolarHBondContact OD1-CG2 3.38Å; I529-V674 HydrophobicContact CD1-CG2 3.79Å; I543-V674 HydrophobicContact CG2-CG1 3.93Å; F550-V674 HydrophobicContact CD1-CB 4.29Å; F550-V674 HydrophobicContact CD1-CG1 3.62Å; F550-V674 HydrophobicContact CD2-CG1 4.19Å; F550-V674 HydrophobicContact CE1-CB 4.35Å; F550-V674 HydrophobicContact CE1-CG1 3.66Å; F550-V674 HydrophobicContact CE1-CG2 4.22Å; F550-V674 HydrophobicContact CE2-CG1 4.22Å; F550-V674 HydrophobicContact CG-CG1 3.89Å; F550-V674 HydrophobicContact CZ-CG1 3.96Å; L671-V674 PolarHBondContact O-N 3Å; V674-R676 VanDerWaalsContact C-N 3.32Å; V674-R676 PolarHBondContact O-N 3.28Å; V674-L677 WeakPolarHBondContact O-CB 3.4Å; V674-L677 PolarHBondContact O-N 2.93Å; V674-L678 HydrophobicContact CG1-CD1 4.13Å; V674-L678 HydrophobicContact CG1-CG 4.35Å; V674-L678 WeakPolarHBondContact O-CG 3.5Å; V674-L678 PolarHBondContact O-N 3.49Å
675M97.3Very high95.3Very high42 Ų4247.7 Ų47.721%0.20723%0.231CC..Hα-helixtrans-63.7-39.8178.7-69.5-63.6-78.300111.5F550 Y551 A554 L671 T673 L678 Q679F550-M675 HydrophobicContact CB-SD 4.38Å; Y551-M675 HydrophobicContact CD1-CE 3.76Å; Y551-M675 HydrophobicContact CD1-SD 3.84Å; Y551-M675 HydrophobicContact CE1-CE 3.88Å; Y551-M675 HydrophobicContact CE1-SD 3.92Å; A554-M675 HydrophobicContact CB-CE 4.42Å; L671-M675 HydrophobicContact CB-CG 4.07Å; L671-M675 WeakPolarHBondContact O-CB 3.4Å; L671-M675 WeakPolarHBondContact O-CG 3.19Å; L671-M675 PolarHBondContact O-N 3.07Å; T673-M675 PolarHBondContact O-N 2.73Å; M675-L678 PolarHBondContact O-N 3.21Å; M675-L678 HydrophobicContact SD-CD1 4.43Å; M675-Q679 WeakPolarHBondContact O-CB 3.21Å; M675-Q679 VanDerWaalsContact O-CG 3.23Å; M675-Q679 WeakPolarHBondContact O-CG 3.44Å; M675-Q679 PolarHBondContact O-N 3.18Å
676R96.4Very high95.2Very high102 Ų10251.8 Ų51.839%0.38525%0.251SS..Hα-helixtrans-65.4-42.3175.3-175.257173.4-177.30.8111.9Q672 T673 V674 L678 Q679 V680 L712 L713Q672-R676 VanDerWaalsContact O-CB 3.26Å; Q672-R676 WeakPolarHBondContact O-CB 3.33Å; Q672-R676 PolarHBondContact O-N 3.3Å; T673-R676 PolarHBondContact O-N 2.89Å; V674-R676 VanDerWaalsContact C-N 3.32Å; V674-R676 PolarHBondContact O-N 3.28Å; R676-L678 VanDerWaalsContact C-N 3.35Å; R676-L678 PolarHBondContact O-N 3.21Å; R676-Q679 PolarHBondContact O-N 3.16Å; R676-V680 WeakPolarHBondContact O-CG2 3.36Å; R676-V680 PolarHBondContact O-N 3.06Å; R676-V680 VanDerWaalsContact O-N 3.15Å; R676-L712 WeakPolarHBondContact CG-O 3.5Å; R676-L712 PolarHBondContact NE-O 3.12Å; R676-L713 HydrophobicContact CB-CD2 4.34Å; R676-L713 HydrophobicContact CG-CD2 4.27Å
677L96.7Very high95.2Very high0 Ų056 Ų560%027%0.269CS..Hα-helixtrans-57-48.5173.2177.1151.3000111.1I529 F533 V540 I543 T673 V674 V680 L681 L709 L713I529-L677 HydrophobicContact CB-CD1 4.4Å; I529-L677 HydrophobicContact CD1-CD1 3.87Å; I529-L677 HydrophobicContact CG1-CD1 3.81Å; I529-L677 HydrophobicContact CG2-CD1 3.69Å; F533-L677 HydrophobicContact CE2-CD1 4.46Å; V540-L677 HydrophobicContact CG1-CD1 4.37Å; V540-L677 HydrophobicContact CG1-CD2 4.38Å; V540-L677 HydrophobicContact CG2-CD1 4.36Å; I543-L677 HydrophobicContact CG2-CD2 4.23Å; T673-L677 PolarHBondContact O-N 3.31Å; V674-L677 WeakPolarHBondContact O-CB 3.4Å; V674-L677 PolarHBondContact O-N 2.93Å; L677-V680 PolarHBondContact O-N 3.31Å; L677-L681 HydrophobicContact CD1-CD1 4.34Å; L677-L681 HydrophobicContact CD2-CD1 4.06Å; L677-L681 HydrophobicContact CG-CD1 3.85Å; L677-L681 HydrophobicContact CG-CG 4.48Å; L677-L681 WeakPolarHBondContact O-CB 3.12Å; L677-L681 PolarHBondContact O-N 3.29Å; L677-L709 HydrophobicContact CD1-CD1 3.69Å; L677-L709 HydrophobicContact CG-CD1 4.05Å; L677-L713 HydrophobicContact CB-CD2 4.21Å
678L97.5Very high95.1Very high1 Ų149.8 Ų49.81%0.00524%0.24CC..Hα-helixtrans-62.3-44.4179.5-71.6174.1000111.9I543 I544 R547 F550 Y551 V674 M675 R676 V680 V682I543-L678 HydrophobicContact CG2-CD2 3.88Å; I543-L678 HydrophobicContact CG2-CG 4.34Å; I544-L678 HydrophobicContact CG1-CD2 4.29Å; R547-L678 HydrophobicContact CB-CD1 4Å; R547-L678 HydrophobicContact CB-CD2 3.67Å; R547-L678 HydrophobicContact CB-CG 4.47Å; F550-L678 HydrophobicContact CB-CD1 4.15Å; F550-L678 HydrophobicContact CD2-CD1 4.27Å; F550-L678 HydrophobicContact CG-CD1 4.39Å; Y551-L678 HydrophobicContact CE1-CD1 3.91Å; V674-L678 HydrophobicContact CG1-CD1 4.13Å; V674-L678 HydrophobicContact CG1-CG 4.35Å; V674-L678 WeakPolarHBondContact O-CG 3.5Å; V674-L678 PolarHBondContact O-N 3.49Å; M675-L678 PolarHBondContact O-N 3.21Å; M675-L678 HydrophobicContact SD-CD1 4.43Å; R676-L678 VanDerWaalsContact C-N 3.35Å; R676-L678 PolarHBondContact O-N 3.21Å; L678-V680 PolarHBondContact O-N 3.24Å; L678-V682 HydrophobicContact CB-CG2 4.23Å; L678-V682 HydrophobicContact CD2-CG2 3.87Å; L678-V682 WeakPolarHBondContact O-CB 3.29Å; L678-V682 WeakPolarHBondContact O-CG2 3.19Å; L678-V682 PolarHBondContact O-N 3.23Å
679Q96.2Very high94.9Very high112 Ų11246.6 Ų46.652%0.52323%0.231SC..Hα-helixtrans-58.3-35.9177.2-75.6169.80.900113M675 R676 P683M675-Q679 WeakPolarHBondContact O-CB 3.21Å; M675-Q679 VanDerWaalsContact O-CG 3.23Å; M675-Q679 WeakPolarHBondContact O-CG 3.44Å; M675-Q679 PolarHBondContact O-N 3.18Å; R676-Q679 PolarHBondContact O-N 3.16Å; Q679-P683 VanDerWaalsContact O-CD 3.31Å; Q679-P683 WeakPolarHBondContact O-CD 3.13Å; Q679-P683 WeakPolarHBondContact O-CG 3.38Å
680V94.9Very high94.7Very high22 Ų2251.8 Ų51.813%0.13326%0.257CS..Hα-helixtrans-82.7-49.7-178.5172.20000111.3R676 L677 L678 Q684 L709 L712R676-V680 WeakPolarHBondContact O-CG2 3.36Å; R676-V680 PolarHBondContact O-N 3.06Å; R676-V680 VanDerWaalsContact O-N 3.15Å; L677-V680 PolarHBondContact O-N 3.31Å; L678-V680 PolarHBondContact O-N 3.24Å; V680-Q684 WeakPolarHBondContact O-CG 3.32Å; V680-Q684 PolarHBondContact O-NE2 3.23Å; V680-L709 HydrophobicContact CG1-CD2 4.17Å; V680-L712 HydrophobicContact CG1-CD1 3.8Å
681L95.2Very high94.5Very high7 Ų755 Ų554%0.03727%0.272CS..Hα-helixtrans-87.1-31.6-168.5-65.4-177.1000113.8F533 V540 I544 L677 Q684 V685 L704 L709F533-L681 HydrophobicContact CE2-CD1 4.34Å; V540-L681 HydrophobicContact CG1-CD1 3.57Å; I544-L681 HydrophobicContact CD1-CB 3.9Å; I544-L681 HydrophobicContact CD1-CD1 4.35Å; L677-L681 HydrophobicContact CD1-CD1 4.34Å; L677-L681 HydrophobicContact CD2-CD1 4.06Å; L677-L681 HydrophobicContact CG-CD1 3.85Å; L677-L681 HydrophobicContact CG-CG 4.48Å; L677-L681 WeakPolarHBondContact O-CB 3.12Å; L677-L681 PolarHBondContact O-N 3.29Å; L681-Q684 PolarHBondContact O-N 2.77Å; L681-V685 WeakPolarHBondContact O-CB 3.3Å; L681-V685 WeakPolarHBondContact O-CG2 3.43Å; L681-V685 PolarHBondContact O-N 2.67Å; L681-L704 HydrophobicContact CD1-CD2 4.12Å; L681-L709 HydrophobicContact CD1-CD1 4.36Å; L681-L709 HydrophobicContact CD1-CD2 4.26Å; L681-L709 HydrophobicContact CD2-CD2 3.98Å; L681-L709 HydrophobicContact CG-CD2 4.08Å
682V95.7Very high94.2Very high12 Ų1261.9 Ų61.97%0.07330%0.297CS..Hα-helixtrans-59.4-50.6-178.8173.30000111.4I544 L678 Q684 V685 E686I544-V682 HydrophobicContact CG1-CG2 4.46Å; I544-V682 HydrophobicContact CG2-CG2 4.27Å; L678-V682 HydrophobicContact CB-CG2 4.23Å; L678-V682 HydrophobicContact CD2-CG2 3.87Å; L678-V682 WeakPolarHBondContact O-CB 3.29Å; L678-V682 WeakPolarHBondContact O-CG2 3.19Å; L678-V682 PolarHBondContact O-N 3.23Å; V682-Q684 VanDerWaalsContact C-N 3.28Å; V682-Q684 PolarHBondContact O-N 3.39Å; V682-V685 PolarHBondContact O-N 2.86Å; V682-E686 HydrophobicContact CG1-CG 4.27Å; V682-E686 WeakPolarHBondContact CG1-OE1 3.38Å; V682-E686 WeakPolarHBondContact O-CB 3.47Å; V682-E686 WeakPolarHBondContact O-CG 3.49Å; V682-E686 PolarHBondContact O-N 3.38Å
683P95.2Very high93.6Very high71 Ų7163 Ų6346%0.46130%0.304SS..Hα-helixtrans-63.7-33178.6-21.934.7000113.1Q679 K687Q679-P683 VanDerWaalsContact O-CD 3.31Å; Q679-P683 WeakPolarHBondContact O-CD 3.13Å; Q679-P683 WeakPolarHBondContact O-CG 3.38Å; P683-K687 WeakPolarHBondContact O-CB 3.36Å; P683-K687 PolarHBondContact O-N 3.24Å
684Q93.5Very high93Very high84 Ų8463.9 Ų63.939%0.39331%0.308SS..Hα-helixtrans-70.3-44.3178.4-66.6179.923.200111.8V680 L681 V682 K687 I688 F703V680-Q684 WeakPolarHBondContact O-CG 3.32Å; V680-Q684 PolarHBondContact O-NE2 3.23Å; L681-Q684 PolarHBondContact O-N 2.77Å; V682-Q684 VanDerWaalsContact C-N 3.28Å; V682-Q684 PolarHBondContact O-N 3.39Å; Q684-K687 PolarHBondContact O-N 2.88Å; Q684-I688 WeakPolarHBondContact O-CG2 3.35Å; Q684-I688 PolarHBondContact O-N 2.95Å; Q684-F703 HydrophobicContact CB-CE1 4.32Å; Q684-F703 HydrophobicContact CB-CZ 4.07Å
685V92.9Very high92.1Very high12 Ų1270.8 Ų70.87%0.07335%0.351CS..Hα-helixtrans-66.3-43.3176.51720000110.7I544 L681 V682 K687 I688 C689 V700 F703 L704I544-V685 HydrophobicContact CD1-CG2 4.08Å; L681-V685 WeakPolarHBondContact O-CB 3.3Å; L681-V685 WeakPolarHBondContact O-CG2 3.43Å; L681-V685 PolarHBondContact O-N 2.67Å; V682-V685 PolarHBondContact O-N 2.86Å; V685-K687 PolarHBondContact O-N 3.35Å; V685-I688 VanDerWaalsContact O-CG2 3.27Å; V685-I688 WeakPolarHBondContact O-CG2 3.48Å; V685-I688 PolarHBondContact O-N 3.35Å; V685-C689 WeakPolarHBondContact O-CB 3.38Å; V685-C689 PolarHBondContact O-N 3.39Å; V685-C689 PolarHBondContact O-SG 2.79Å; V685-V700 HydrophobicContact CG1-CG1 3.8Å; V685-V700 HydrophobicContact CG2-CG1 4.37Å; V685-F703 HydrophobicContact CG2-CD1 4.2Å; V685-F703 HydrophobicContact CG2-CE1 4.06Å; V685-L704 HydrophobicContact CG2-CD2 4.14Å
686E93.4Very high91.5Very high88 Ų8873.3 Ų73.341%0.41137%0.365SS..Hα-helixtrans-62.7-43.7175.7-72.7174.6172.800111.2R547 V682 C689 I690R547-E686 IonicContact CZ-OE1 3.73Å; R547-E686 IonicContact NH2-OE1 2.85Å; R547-E686 PolarHBondContact NH2-OE1 3.47Å; V682-E686 HydrophobicContact CG1-CG 4.27Å; V682-E686 WeakPolarHBondContact CG1-OE1 3.38Å; V682-E686 WeakPolarHBondContact O-CB 3.47Å; V682-E686 WeakPolarHBondContact O-CG 3.49Å; V682-E686 PolarHBondContact O-N 3.38Å; E686-C689 PolarHBondContact O-N 3.48Å; E686-I690 WeakPolarHBondContact O-CD1 3.28Å; E686-I690 VanDerWaalsContact O-CG1 3.28Å; E686-I690 WeakPolarHBondContact O-CG1 3.06Å; E686-I690 PolarHBondContact O-N 3.33Å
687K92.8Very high91Very high134 Ų13472 Ų7258%0.58336%0.363SS*.Hα-helixtrans-61.4-48.3176.7-178.4177178.9-177.80112.6P683 Q684 V685 C689 I690 D691P683-K687 WeakPolarHBondContact O-CB 3.36Å; P683-K687 PolarHBondContact O-N 3.24Å; Q684-K687 PolarHBondContact O-N 2.88Å; V685-K687 PolarHBondContact O-N 3.35Å; K687-C689 VanDerWaalsContact C-N 3.32Å; K687-C689 PolarHBondContact O-N 2.84Å; K687-I690 PolarHBondContact O-N 3.29Å; K687-D691 WeakPolarHBondContact CE-OD2 3.47Å; K687-D691 WeakPolarHBondContact CG-OD2 3.43Å; K687-D691 WeakPolarHBondContact O-CB 3.18Å; K687-D691 VanDerWaalsContact O-CG 3.28Å; K687-D691 PolarHBondContact O-N 3.44Å
688I90.6Very high90.6Very high19 Ų1973.1 Ų73.110%0.09738%0.375CS..Hα-helixtrans-66.7-35.6-179.5-165.1174.8000111.8Q684 V685 I690 R692 L694 F703Q684-I688 WeakPolarHBondContact O-CG2 3.35Å; Q684-I688 PolarHBondContact O-N 2.95Å; V685-I688 VanDerWaalsContact O-CG2 3.27Å; V685-I688 WeakPolarHBondContact O-CG2 3.48Å; V685-I688 PolarHBondContact O-N 3.35Å; I688-I690 VanDerWaalsContact C-N 3.31Å; I688-I690 PolarHBondContact O-N 3.08Å; I688-R692 HydrophobicContact CG1-CG 4.18Å; I688-R692 WeakPolarHBondContact O-CB 3.47Å; I688-R692 PolarHBondContact O-N 3.01Å; I688-L694 HydrophobicContact CG1-CD1 4.08Å; I688-L694 HydrophobicContact CG2-CD1 4.26Å; I688-F703 HydrophobicContact CD1-CB 4.1Å; I688-F703 HydrophobicContact CD1-CD2 3.62Å; I688-F703 HydrophobicContact CD1-CE2 4.29Å; I688-F703 HydrophobicContact CD1-CG 3.93Å
689C90.5Very high90.2Very high38 Ų3877.1 Ų77.126%0.25739%0.393SS..Hα-helixtrans-62.3-38.8173.8-73.60000111.9V685 E686 K687 M693 L694V685-C689 WeakPolarHBondContact O-CB 3.38Å; V685-C689 PolarHBondContact O-N 3.39Å; V685-C689 PolarHBondContact O-SG 2.79Å; E686-C689 PolarHBondContact O-N 3.48Å; K687-C689 VanDerWaalsContact C-N 3.32Å; K687-C689 PolarHBondContact O-N 2.84Å; C689-M693 CarbonylContact O-C 3.55Å; C689-M693 VanDerWaalsContact O-CA 3.25Å; C689-M693 WeakPolarHBondContact O-CA 3.44Å; C689-M693 PolarHBondContact O-N 3.21Å; C689-M693 VanDerWaalsContact O-N 3.15Å; C689-L694 PolarHBondContact O-N 3.16Å
690I91Very high89.9Confident125 Ų12572.1 Ų72.164%0.64137%0.371SS*.Hα-helixtrans-72.2-53.4175.9-66.6164.6000111E686 K687 I688 R692 M693E686-I690 WeakPolarHBondContact O-CD1 3.28Å; E686-I690 VanDerWaalsContact O-CG1 3.28Å; E686-I690 WeakPolarHBondContact O-CG1 3.06Å; E686-I690 PolarHBondContact O-N 3.33Å; K687-I690 PolarHBondContact O-N 3.29Å; I688-I690 VanDerWaalsContact C-N 3.31Å; I688-I690 PolarHBondContact O-N 3.08Å; I690-R692 VanDerWaalsContact C-N 3.29Å; I690-R692 PolarHBondContact O-N 3.28Å; I690-M693 PolarHBondContact O-N 3.12Å
691D90.9Very high89.8Confident112 Ų11272.4 Ų72.460%0.59937%0.371SS*.Hα-helixtrans-63.1-34.3-172.7-72.4-8.4000112.4K687K687-D691 WeakPolarHBondContact CE-OD2 3.47Å; K687-D691 WeakPolarHBondContact CG-OD2 3.43Å; K687-D691 WeakPolarHBondContact O-CB 3.18Å; K687-D691 VanDerWaalsContact O-CG 3.28Å; K687-D691 PolarHBondContact O-N 3.44Å
692R88.4Confident89.6Confident166 Ų16678.4 Ų78.463%0.62640%0.397SS*.THydrogen-bonded Turntrans-105.13.4-179.6-59.1-174.7-178.8-168.3-0113.9I688 I690 L694I688-R692 HydrophobicContact CG1-CG 4.18Å; I688-R692 WeakPolarHBondContact O-CB 3.47Å; I688-R692 PolarHBondContact O-N 3.01Å; I690-R692 VanDerWaalsContact C-N 3.29Å; I690-R692 PolarHBondContact O-N 3.28Å; R692-L694 VanDerWaalsContact C-N 3.26Å; R692-L694 HydrophobicContact CB-CD1 4.49Å; R692-L694 HydrophobicContact CB-CD2 3.49Å; R692-L694 VanDerWaalsContact CB-CD2 3.49Å; R692-L694 HydrophobicContact CB-CG 3.77Å; R692-L694 PolarHBondContact O-N 3.25Å
693M84.2Confident89.4Confident169 Ų16980.5 Ų80.583%0.83341%0.405SS*.THydrogen-bonded Turntrans48.745.8-173-62.2-170.2177.200112.9C689 I690 T695C689-M693 CarbonylContact O-C 3.55Å; C689-M693 VanDerWaalsContact O-CA 3.25Å; C689-M693 WeakPolarHBondContact O-CA 3.44Å; C689-M693 PolarHBondContact O-N 3.21Å; C689-M693 VanDerWaalsContact O-N 3.15Å; I690-M693 PolarHBondContact O-N 3.12Å; M693-T695 PolarHBondContact O-N 2.68Å
694L82.2Confident89.3Confident25 Ų2577.4 Ų77.413%0.13139%0.385CS..  trans-70.9127.8-175.6-55.5-176.7000111.4I688 C689 R692 E699I688-L694 HydrophobicContact CG1-CD1 4.08Å; I688-L694 HydrophobicContact CG2-CD1 4.26Å; C689-L694 PolarHBondContact O-N 3.16Å; R692-L694 VanDerWaalsContact C-N 3.26Å; R692-L694 HydrophobicContact CB-CD1 4.49Å; R692-L694 HydrophobicContact CB-CD2 3.49Å; R692-L694 VanDerWaalsContact CB-CD2 3.49Å; R692-L694 HydrophobicContact CB-CG 3.77Å; R692-L694 PolarHBondContact O-N 3.25Å; L694-E699 HydrophobicContact CD1-CB 4.03Å; L694-E699 HydrophobicContact CD2-CB 4.11Å; L694-E699 HydrophobicContact CD2-CG 4.4Å; L694-E699 WeakPolarHBondContact CD2-OE2 3.41Å
695T79.5Confident89.2Confident146 Ų14678.2 Ų78.290%0.89639%0.388SS*.  trans-112.9-19.217054.50000112.9M693M693-T695 PolarHBondContact O-N 2.68Å
696D83.3Confident88.9Confident94 Ų9484.5 Ų84.550%0.50342%0.422SS..  trans-89.6129.3-178-178.523.7000112.2G698 E699D696-G698 PolarHBondContact O-N 3.44Å; D696-G698 PolarHBondContact OD1-N 3.24Å; D696-G698 VanDerWaalsContact OD1-N 3.07Å; D696-E699 PolarHBondContact O-N 3.11Å
697E86.4Confident88.5Confident75 Ų7581.6 Ų81.635%0.3542%0.415SS..Hα-helixtrans-61.7-30.2174.4-53.4-161.1140.900111.5Y541 R545 E699 V700 L701Y541-E697 HydrophobicContact CE1-CB 4.36Å; Y541-E697 HydrophobicContact CE1-CG 4.41Å; Y541-E697 VanDerWaalsContact OH-CG 3.27Å; Y541-E697 WeakPolarHBondContact OH-CG 3.32Å; Y541-E697 PolarHBondContact OH-OE1 3.47Å; R545-E697 IonicContact CZ-OE1 3.57Å; R545-E697 IonicContact NH1-OE1 2.87Å; R545-E697 PolarHBondContact NH1-OE1 3.42Å; R545-E697 IonicContact NH2-OE1 3.59Å; E697-E699 VanDerWaalsContact C-N 3.29Å; E697-E699 PolarHBondContact O-N 3.33Å; E697-V700 PolarHBondContact O-N 3.49Å; E697-L701 WeakPolarHBondContact O-CG 3.34Å; E697-L701 PolarHBondContact O-N 3.28Å
698G88.3Confident88.3Confident24 Ų2479.7 Ų79.725%0.24742%0.415CS..Hα-helixtrans-59.5-35.6179.800000113.7D696 K702D696-G698 PolarHBondContact O-N 3.44Å; D696-G698 PolarHBondContact OD1-N 3.24Å; D696-G698 VanDerWaalsContact OD1-N 3.07Å; G698-K702 WeakPolarHBondContact O-CG 3.01Å; G698-K702 PolarHBondContact O-N 3.11Å
699E88.7Confident88.1Confident84 Ų8479.2 Ų79.239%0.39341%0.413SS..Hα-helixtrans-72.7-37.6177.5-67.9-156.1-155.600112.6L694 D696 E697 L701 K702 F703L694-E699 HydrophobicContact CD1-CB 4.03Å; L694-E699 HydrophobicContact CD2-CB 4.11Å; L694-E699 HydrophobicContact CD2-CG 4.4Å; L694-E699 WeakPolarHBondContact CD2-OE2 3.41Å; D696-E699 PolarHBondContact O-N 3.11Å; E697-E699 VanDerWaalsContact C-N 3.29Å; E697-E699 PolarHBondContact O-N 3.33Å; E699-L701 VanDerWaalsContact C-N 3.33Å; E699-K702 PolarHBondContact O-N 3.46Å; E699-F703 PolarHBondContact O-N 3.21Å
700V90.7Very high87.6Confident8 Ų883.5 Ų83.55%0.04844%0.437CS..Hα-helixtrans-64-42174.5-177.40000110.3Y541 V685 E697 F703 L704Y541-V700 HydrophobicContact CD2-CB 4.37Å; Y541-V700 HydrophobicContact CD2-CG1 3.7Å; Y541-V700 HydrophobicContact CE2-CB 4.16Å; Y541-V700 HydrophobicContact CE2-CG1 3.8Å; V685-V700 HydrophobicContact CG1-CG1 3.8Å; V685-V700 HydrophobicContact CG2-CG1 4.37Å; E697-V700 PolarHBondContact O-N 3.49Å; V700-F703 WeakPolarHBondContact O-CB 3.29Å; V700-F703 PolarHBondContact O-N 3.37Å; V700-L704 HydrophobicContact CG1-CD1 4.25Å; V700-L704 WeakPolarHBondContact O-CG 3.2Å; V700-L704 PolarHBondContact O-N 3.22Å
701L92.8Very high87.4Confident28 Ų2881.3 Ų81.315%0.14745%0.446CS..Hα-helixtrans-63-42.9176.2-70.2171.7000112.1M489 Y541 E697 E699 F703 L704 Q705M489-L701 HydrophobicContact CE-CD1 4.17Å; M489-L701 HydrophobicContact CE-CD2 4.17Å; Y541-L701 HydrophobicContact CD1-CD2 4.34Å; Y541-L701 HydrophobicContact CG-CD2 4.04Å; E697-L701 WeakPolarHBondContact O-CG 3.34Å; E697-L701 PolarHBondContact O-N 3.28Å; E699-L701 VanDerWaalsContact C-N 3.33Å; L701-F703 VanDerWaalsContact C-N 3.3Å; L701-F703 PolarHBondContact O-N 3.01Å; L701-L704 PolarHBondContact O-N 3.17Å; L701-Q705 WeakPolarHBondContact O-CB 3.49Å; L701-Q705 VanDerWaalsContact O-CG 3.25Å; L701-Q705 WeakPolarHBondContact O-CG 3.46Å; L701-Q705 PolarHBondContact O-N 3.39Å
702K90.8Very high87.3Confident133 Ų13379.1 Ų79.158%0.57843%0.434SS*.Hα-helixtrans-61.4-37.9174.2-74.7174.4-175.6171.90112.5G698 E699 N706G698-K702 WeakPolarHBondContact O-CG 3.01Å; G698-K702 PolarHBondContact O-N 3.11Å; E699-K702 PolarHBondContact O-N 3.46Å; K702-N706 PolarHBondContact O-N 3.1Å; K702-N706 PolarHBondContact O-ND2 3.12Å
703F91.2Very high87.5Confident56 Ų5673 Ų7325%0.24641%0.413CS..Hα-helixtrans-62.9-48.8174168.9-101000111.1Q684 V685 I688 E699 V700 L701 Q705 N706 G707Q684-F703 HydrophobicContact CB-CE1 4.32Å; Q684-F703 HydrophobicContact CB-CZ 4.07Å; V685-F703 HydrophobicContact CG2-CD1 4.2Å; V685-F703 HydrophobicContact CG2-CE1 4.06Å; I688-F703 HydrophobicContact CD1-CB 4.1Å; I688-F703 HydrophobicContact CD1-CD2 3.62Å; I688-F703 HydrophobicContact CD1-CE2 4.29Å; I688-F703 HydrophobicContact CD1-CG 3.93Å; E699-F703 PolarHBondContact O-N 3.21Å; V700-F703 WeakPolarHBondContact O-CB 3.29Å; V700-F703 PolarHBondContact O-N 3.37Å; L701-F703 VanDerWaalsContact C-N 3.3Å; L701-F703 PolarHBondContact O-N 3.01Å; F703-Q705 VanDerWaalsContact C-N 3.34Å; F703-Q705 PolarHBondContact O-N 3.48Å; F703-N706 PolarHBondContact O-N 2.99Å; F703-G707 PolarHBondContact O-N 2.96Å
704L92.6Very high87.8Confident6 Ų666.3 Ų66.33%0.03138%0.383CS..Hα-helixtrans-63.3-37.2-179.9-68.4173.5000112.7V540 Y541 I544 L681 V685 V700 L701 N706 G707V540-L704 HydrophobicContact CG1-CD1 4.25Å; V540-L704 HydrophobicContact CG1-CD2 4.08Å; Y541-L704 HydrophobicContact CD2-CD1 4.37Å; I544-L704 HydrophobicContact CD1-CD1 4.45Å; I544-L704 HydrophobicContact CD1-CD2 4.19Å; L681-L704 HydrophobicContact CD1-CD2 4.12Å; V685-L704 HydrophobicContact CG2-CD2 4.14Å; V700-L704 HydrophobicContact CG1-CD1 4.25Å; V700-L704 WeakPolarHBondContact O-CG 3.2Å; V700-L704 PolarHBondContact O-N 3.22Å; L701-L704 PolarHBondContact O-N 3.17Å; L704-N706 VanDerWaalsContact C-N 3.28Å; L704-N706 PolarHBondContact O-N 3.02Å; L704-G707 PolarHBondContact O-N 3.14Å; L704-G707 VanDerWaalsContact O-N 3.14Å
705Q91.7Very high88.1Confident100 Ų10071.4 Ų71.447%0.46742%0.415SS..Hα-helixtrans-62.9-30.7176.3-76170.2-7.300113.5L701 F703L701-Q705 WeakPolarHBondContact O-CB 3.49Å; L701-Q705 VanDerWaalsContact O-CG 3.25Å; L701-Q705 WeakPolarHBondContact O-CG 3.46Å; L701-Q705 PolarHBondContact O-N 3.39Å; F703-Q705 VanDerWaalsContact C-N 3.34Å; F703-Q705 PolarHBondContact O-N 3.48Å
706N87.5Confident88.4Confident144 Ų14467.8 Ų67.877%0.7739%0.393SS*.THydrogen-bonded Turntrans-92-4.3177-66.2-53.4000112.7K702 F703 L704K702-N706 PolarHBondContact O-N 3.1Å; K702-N706 PolarHBondContact O-ND2 3.12Å; F703-N706 PolarHBondContact O-N 2.99Å; L704-N706 VanDerWaalsContact C-N 3.28Å; L704-N706 PolarHBondContact O-N 3.02Å
707G85.2Confident88.5Confident27 Ų2765.2 Ų65.228%0.27838%0.378SS..  trans-77.6157.5-179.900000112.2F703 L704F703-G707 PolarHBondContact O-N 2.96Å; L704-G707 PolarHBondContact O-N 3.14Å; L704-G707 VanDerWaalsContact O-N 3.14Å
708T87.2Confident88.6Confident95 Ų9565.3 Ų65.358%0.58339%0.386SS*.  trans-132.8141.9170.5-176.40000110.5V710T708-V710 VanDerWaalsContact OG1-CG2 3.31Å; T708-V710 WeakPolarHBondContact OG1-CG2 3.09Å; T708-V710 PolarHBondContact OG1-N 3.14Å
709L86.5Confident88.7Confident9 Ų967.2 Ų67.25%0.04739%0.389CS..  trans-107.99.2174.3-66.9-176000112.7F533 L677 V680 L681 G711 L712 L713F533-L709 HydrophobicContact CD2-CD1 3.53Å; F533-L709 HydrophobicContact CD2-CG 4.15Å; F533-L709 HydrophobicContact CE1-CG 4.16Å; F533-L709 HydrophobicContact CE2-CD1 3.25Å; F533-L709 HydrophobicContact CE2-CG 3.7Å; F533-L709 HydrophobicContact CG-CD1 4.3Å; F533-L709 HydrophobicContact CZ-CD1 3.83Å; F533-L709 HydrophobicContact CZ-CG 3.71Å; L677-L709 HydrophobicContact CD1-CD1 3.69Å; L677-L709 HydrophobicContact CG-CD1 4.05Å; V680-L709 HydrophobicContact CG1-CD2 4.17Å; L681-L709 HydrophobicContact CD1-CD1 4.36Å; L681-L709 HydrophobicContact CD1-CD2 4.26Å; L681-L709 HydrophobicContact CD2-CD2 3.98Å; L681-L709 HydrophobicContact CG-CD2 4.08Å; L709-G711 PolarHBondContact O-N 2.87Å; L709-L712 HydrophobicContact CD2-CD1 4.37Å; L709-L712 PolarHBondContact O-N 3.39Å; L709-L713 HydrophobicContact CB-CD1 3.79Å; L709-L713 HydrophobicContact CB-CG 3.95Å; L709-L713 HydrophobicContact CD1-CD1 3.87Å; L709-L713 HydrophobicContact CD1-CD2 4.25Å; L709-L713 HydrophobicContact CD1-CG 4.21Å; L709-L713 HydrophobicContact CG-CD1 4.5Å; L709-L713 PolarHBondContact O-N 3.07Å
710V81.7Confident88.8Confident127 Ų12765.5 Ų65.577%0.7738%0.383SS*.THydrogen-bonded Turntrans-58.8127178.8174.90000110T708 L712T708-V710 VanDerWaalsContact OG1-CG2 3.31Å; T708-V710 WeakPolarHBondContact OG1-CG2 3.09Å; T708-V710 PolarHBondContact OG1-N 3.14Å; V710-L712 PolarHBondContact O-N 3.09Å
711G86.4Confident88.9Confident80 Ų8067.2 Ų67.283%0.82539%0.391SS*.THydrogen-bonded Turntrans75.4-3.3-177.700000115.5L709L709-G711 PolarHBondContact O-N 2.87Å
712L89.1Confident88.9Confident66 Ų6667.3 Ų67.335%0.34639%0.389SS..THydrogen-bonded Turntrans-100-27.7-179.3-60.2-179.5000113.3R676 V680 L709 V710R676-L712 WeakPolarHBondContact CG-O 3.5Å; R676-L712 PolarHBondContact NE-O 3.12Å; V680-L712 HydrophobicContact CG1-CD1 3.8Å; L709-L712 HydrophobicContact CD2-CD1 4.37Å; L709-L712 PolarHBondContact O-N 3.39Å; V710-L712 PolarHBondContact O-N 3.09Å
713L91.4Very high89Confident37 Ų3764.3 Ų64.319%0.19438%0.376CS..SBendtrans-87.3159178.6-66.8174.5000112.2I529 T673 R676 L677 L709I529-L713 HydrophobicContact CG2-CD1 3.65Å; I529-L713 HydrophobicContact CG2-CD2 4.36Å; T673-L713 HydrophobicContact CG2-CD2 4.39Å; R676-L713 HydrophobicContact CB-CD2 4.34Å; R676-L713 HydrophobicContact CG-CD2 4.27Å; L677-L713 HydrophobicContact CB-CD2 4.21Å; L709-L713 HydrophobicContact CB-CD1 3.79Å; L709-L713 HydrophobicContact CB-CG 3.95Å; L709-L713 HydrophobicContact CD1-CD1 3.87Å; L709-L713 HydrophobicContact CD1-CD2 4.25Å; L709-L713 HydrophobicContact CD1-CG 4.21Å; L709-L713 HydrophobicContact CG-CD1 4.5Å; L709-L713 PolarHBondContact O-N 3.07Å
714P90.3Very high88.9Confident29 Ų2962 Ų6219%0.18837%0.366CS..PPolyproline II helixtrans-57.9161.5168.3-19.232.1000111.8Q672Q672-P714 HydrophobicContact CG-CG 3.8Å
715V88.3Confident88.6Confident132 Ų13265.6 Ų65.680%0.838%0.383SS*.PPolyproline II helixtrans-55130.7174.3-179.40000109.4H717V715-H717 PolarHBondContact O-N 3.41Å
716P85.6Confident88.1Confident69 Ų6963.1 Ų63.145%0.44838%0.376SS..PPolyproline II helixtrans-56.6137.1178.4-27.235.4000112.6Q530 Y531Q530-P716 HydrophobicContact CB-CB 4.35Å; Y531-P716 HydrophobicContact CE1-CB 4.32Å
717H86.1Confident87.9Confident41 Ų4157.7 Ų57.719%0.1935%0.347CS..PPolyproline II helixtrans-79.8150.8174.46379000110.2N527 Q530 Y531 V715 I719N527-H717 PolarHBondContact OD1-CE1 3.35Å; Q530-H717 PolarHBondContact OE1-CD2 2.93Å; Q530-H717 PolarHBondContact OE1-NE2 3.26Å; Y531-H717 PolarHBondContact OH-O 3.34Å; V715-H717 PolarHBondContact O-N 3.41Å; H717-I719 PolarHBondContact O-N 3.36Å
718P89.5Confident87.8Confident77 Ų7761.2 Ų61.250%0.535%0.352SS..PPolyproline II helixtrans-53.1141.8175.3-25.534.6000112.2L633 L720L633-P718 HydrophobicContact CD1-CG 4.36Å; P718-L720 PolarHBondContact O-N 3.04Å
719I89.4Confident87.7Confident64 Ų6458.2 Ų58.233%0.32834%0.34SS..PPolyproline II helixtrans-72.2116.9173.4-65.4169.3000108.2P482 Y531 H717 I721P482-I719 HydrophobicContact CB-CD1 3.71Å; P482-I719 HydrophobicContact CB-CG1 4.05Å; P482-I719 HydrophobicContact CB-CG2 4.14Å; P482-I719 HydrophobicContact CG-CB 4.5Å; P482-I719 HydrophobicContact CG-CD1 4.33Å; P482-I719 HydrophobicContact CG-CG1 4.18Å; P482-I719 HydrophobicContact CG-CG2 3.58Å; Y531-I719 HydrophobicContact CD1-CD1 4.14Å; Y531-I719 HydrophobicContact CD2-CD1 4.22Å; Y531-I719 HydrophobicContact CD2-CG1 4.04Å; Y531-I719 HydrophobicContact CE1-CD1 3.97Å; Y531-I719 HydrophobicContact CE1-CG1 4.14Å; Y531-I719 HydrophobicContact CE2-CD1 4.07Å; Y531-I719 HydrophobicContact CE2-CG1 3.52Å; Y531-I719 HydrophobicContact CG-CD1 4.26Å; H717-I719 PolarHBondContact O-N 3.36Å; I719-I721 HydrophobicContact CG2-CD1 3.66Å; I719-I721 HydrophobicContact CG2-CG1 4.02Å
720L90.5Very high87.6Confident48 Ų4857.8 Ų57.825%0.25134%0.338SS..  trans-101.4103.1179-59.3-179.3000110.2P626 P718P626-L720 HydrophobicContact CB-CD2 4.04Å; P718-L720 PolarHBondContact O-N 3.04Å
721I93.1Very high87.8Confident44 Ų4451.9 Ų51.923%0.22630%0.302CS..  trans-91.8121.7174.4-55.2-57.8000109.4G420 N479 Y483 I719 K723G420-I721 WeakPolarHBondContact O-CG2 3.24Å; N479-I721 WeakPolarHBondContact O-CD1 3.44Å; Y483-I721 HydrophobicContact CE2-CD1 4.11Å; I719-I721 HydrophobicContact CG2-CD1 3.66Å; I719-I721 HydrophobicContact CG2-CG1 4.02Å; I721-K723 HydrophobicContact CG2-CG 4.09Å; I721-K723 PolarHBondContact O-N 2.88Å
722R93.4Very high87.9Confident30 Ų3049.5 Ų49.511%0.11327%0.27CS..  trans-94.189.3177.9-64.5166.9-178.585.2-12.8108.7T475 N479 E523 T623T475-R722 HydrophobicContact CG2-CB 3.84Å; T475-R722 HydrophobicContact CG2-CG 4.4Å; N479-R722 PolarHBondContact ND2-O 2.82Å; N479-R722 PolarHBondContact OD1-N 3.41Å; E523-R722 IonicContact OE1-CZ 3.75Å; E523-R722 IonicContact OE1-NH1 3.64Å; E523-R722 PolarHBondContact OE1-NH1 3.4Å; E523-R722 IonicContact OE1-NH2 3.35Å; E523-R722 PolarHBondContact OE1-NH2 3.13Å; E523-R722 IonicContact OE2-CZ 3.96Å; E523-R722 IonicContact OE2-NH1 3.7Å; E523-R722 IonicContact OE2-NH2 2.74Å; E523-R722 PolarHBondContact OE2-NH2 3.48Å; T623-R722 HydrophobicContact CG2-CB 4.14Å
723K91.7Very high88Confident69 Ų6946.5 Ų46.530%0.325%0.254SS..  trans-74.7145.8179.3-60.7-167174.5-153.60111.1G420 E421 T623 E624 I721G420-K723 VanDerWaalsContact O-CE 3.24Å; G420-K723 WeakPolarHBondContact O-CE 3.36Å; E421-K723 IonicContact OE1-NZ 3.06Å; E421-K723 PolarHBondContact OE1-NZ 3.4Å; E421-K723 IonicContact OE2-NZ 2.79Å; T623-K723 CarbonylContact C-O 3.53Å; T623-K723 WeakPolarHBondContact CA-O 3.26Å; E624-K723 HydrophobicContact CG-CB 3.93Å; E624-K723 WeakPolarHBondContact CG-O 3.32Å; E624-K723 PolarHBondContact N-O 3.45Å; I721-K723 HydrophobicContact CG2-CG 4.09Å; I721-K723 PolarHBondContact O-N 2.88Å
724Y90.2Very high87.9Confident8 Ų844.9 Ų44.93%0.03125%0.246CC..BIsolated β-bridgetrans-64.4135174.9170.7-100.3000111.8W365 L416 L417 M622 S726 T730W365-Y724 AromaticContact CH2-CD1 3.88Å; W365-Y724 HydrophobicContact CH2-CD1 3.88Å; W365-Y724 HydrophobicContact CH2-CD2 4Å; W365-Y724 AromaticContact CH2-CE1 3.57Å; W365-Y724 HydrophobicContact CH2-CE1 3.57Å; W365-Y724 AromaticContact CH2-CE2 3.73Å; W365-Y724 HydrophobicContact CH2-CE2 3.73Å; W365-Y724 HydrophobicContact CH2-CG 4.08Å; W365-Y724 AromaticContact CH2-CZ 3.51Å; W365-Y724 HydrophobicContact CZ2-CD1 4.22Å; W365-Y724 AromaticContact CZ2-CE1 3.47Å; W365-Y724 HydrophobicContact CZ2-CE1 3.47Å; W365-Y724 VanDerWaalsContact CZ2-CE1 3.47Å; W365-Y724 AromaticContact CZ2-CE2 3.99Å; W365-Y724 HydrophobicContact CZ2-CE2 3.99Å; W365-Y724 AromaticContact CZ2-CZ 3.34Å; W365-Y724 WeakPolarHBondContact CZ2-OH 3.45Å; L416-Y724 HydrophobicContact CD2-CD2 4.15Å; L417-Y724 HydrophobicContact CD1-CD1 3.79Å; L417-Y724 HydrophobicContact CD1-CG 4.38Å; M622-Y724 HydrophobicContact CB-CD2 4.32Å; M622-Y724 HydrophobicContact CB-CE2 4.36Å; M622-Y724 HydrophobicContact CE-CD2 4.44Å; M622-Y724 HydrophobicContact CE-CE2 3.98Å; M622-Y724 CarbonylContact O-C 3.54Å; M622-Y724 VanDerWaalsContact O-CA 3.25Å; M622-Y724 WeakPolarHBondContact O-CA 3.45Å; M622-Y724 VanDerWaalsContact O-CD2 3.29Å; M622-Y724 WeakPolarHBondContact O-CD2 3.48Å; Y724-S726 VanDerWaalsContact CE1-OG 3.3Å; Y724-S726 WeakPolarHBondContact CE1-OG 3.46Å; Y724-S726 WeakPolarHBondContact OH-CA 3.45Å; Y724-T730 HydrophobicContact CE2-CG2 4.21Å; Y724-T730 VanDerWaalsContact OH-CG2 3.27Å; Y724-T730 WeakPolarHBondContact OH-CG2 3.45Å
725Q85.4Confident88Confident81 Ų8144.4 Ų44.438%0.37924%0.24SC..  trans-118.6128.5169.9-62.5-165.4-33.700111.1M622 E624 N727M622-Q725 PolarHBondContact O-N 2.94Å; E624-Q725 HydrophobicContact CB-CG 4.11Å; E624-Q725 VanDerWaalsContact CB-NE2 3.27Å; E624-Q725 VanDerWaalsContact CD-NE2 3.29Å; E624-Q725 HydrophobicContact CG-CG 3.57Å; E624-Q725 PolarHBondContact OE1-NE2 3.2Å; Q725-N727 PolarHBondContact O-N 2.86Å; Q725-N727 PolarHBondContact O-ND2 3.2Å
726S82Confident88.2Confident48 Ų4838.4 Ų38.434%0.33620%0.204SC..  trans-65128.7173.8-53.80000110.1D369 Y724D369-S726 PolarHBondContact OD1-OG 2.82Å; D369-S726 PolarHBondContact OD2-OG 3.23Å; Y724-S726 VanDerWaalsContact CE1-OG 3.3Å; Y724-S726 WeakPolarHBondContact CE1-OG 3.46Å; Y724-S726 WeakPolarHBondContact OH-CA 3.45Å
727N82.9Confident88.7Confident30 Ų3035.6 Ų35.616%0.1618%0.184CC..  trans-140.8157.5-178.866.482.1000109.4M621 Q725 G729 T730 N731M621-N727 PolarHBondContact O-ND2 2.82Å; M621-N727 VanDerWaalsContact O-ND2 3.09Å; Q725-N727 PolarHBondContact O-N 2.86Å; Q725-N727 PolarHBondContact O-ND2 3.2Å; N727-G729 VanDerWaalsContact C-N 3.35Å; N727-G729 PolarHBondContact O-N 3.26Å; N727-G729 PolarHBondContact OD1-N 2.96Å; N727-T730 PolarHBondContact ND2-OG1 2.97Å; N727-T730 PolarHBondContact O-N 3.45Å; N727-T730 PolarHBondContact OD1-N 3.21Å; N727-T730 PolarHBondContact OD1-OG1 2.94Å; N727-N731 PolarHBondContact O-N 2.71Å; N727-N731 VanDerWaalsContact O-N 3.14Å; N727-N731 PolarHBondContact O-ND2 3.04Å
728R82.9Confident89.1Confident102 Ų10233.9 Ų33.939%0.38518%0.176SC..Hα-helixtrans-57.7-44.1-177.9179.1172.8174.6-179.64.7113S224 T730 N731 D732S224-R728 PolarHBondContact O-NE 3.11Å; S224-R728 PolarHBondContact O-NH2 3.38Å; R728-T730 VanDerWaalsContact C-N 3.28Å; R728-T730 PolarHBondContact O-N 2.99Å; R728-N731 PolarHBondContact O-N 2.84Å; R728-D732 PolarHBondContact O-N 3.43Å
729G84.6Confident89.4Confident31 Ų3130.3 Ų30.332%0.3215%0.153SC..Hα-helixtrans-59.9-39179.800000112.7P617 N727 W733P617-G729 WeakPolarHBondContact CG-O 3.32Å; N727-G729 VanDerWaalsContact C-N 3.35Å; N727-G729 PolarHBondContact O-N 3.26Å; N727-G729 PolarHBondContact OD1-N 2.96Å; G729-W733 WeakPolarHBondContact O-CB 3.18Å; G729-W733 PolarHBondContact O-N 3.16Å
730T85.2Confident89.6Confident0 Ų027.5 Ų27.50%014%0.14CC..Hα-helixtrans-68.1-38.7175.7-650000111M622 Y724 N727 R728 W733 F734M622-T730 HydrophobicContact CE-CG2 4.01Å; M622-T730 WeakPolarHBondContact CE-OG1 3.31Å; Y724-T730 HydrophobicContact CE2-CG2 4.21Å; Y724-T730 VanDerWaalsContact OH-CG2 3.27Å; Y724-T730 WeakPolarHBondContact OH-CG2 3.45Å; N727-T730 PolarHBondContact ND2-OG1 2.97Å; N727-T730 PolarHBondContact O-N 3.45Å; N727-T730 PolarHBondContact OD1-N 3.21Å; N727-T730 PolarHBondContact OD1-OG1 2.94Å; R728-T730 VanDerWaalsContact C-N 3.28Å; R728-T730 PolarHBondContact O-N 2.99Å; T730-W733 WeakPolarHBondContact O-CB 3.34Å; T730-W733 PolarHBondContact O-N 3.23Å; T730-F734 HydrophobicContact CG2-CD2 3.52Å; T730-F734 HydrophobicContact CG2-CE2 3.24Å; T730-F734 HydrophobicContact CG2-CZ 4.38Å; T730-F734 WeakPolarHBondContact O-CD2 3.45Å; T730-F734 PolarHBondContact O-N 2.7Å
731N85.9Confident89.8Confident4 Ų425.5 Ų25.52%0.02113%0.13CC..Hα-helixtrans-67.7-41.6175.9-75.7-40.7000113.3T294 N727 R728 W733 F734 R735T294-N731 WeakPolarHBondContact CB-ND2 3.25Å; T294-N731 WeakPolarHBondContact CG2-ND2 3.26Å; T294-N731 PolarHBondContact OG1-ND2 2.81Å; N727-N731 PolarHBondContact O-N 2.71Å; N727-N731 VanDerWaalsContact O-N 3.14Å; N727-N731 PolarHBondContact O-ND2 3.04Å; R728-N731 PolarHBondContact O-N 2.84Å; N731-W733 VanDerWaalsContact C-N 3.29Å; N731-W733 PolarHBondContact O-N 2.8Å; N731-F734 PolarHBondContact O-N 3.09Å; N731-R735 WeakPolarHBondContact O-CB 3.46Å; N731-R735 PolarHBondContact O-N 3.16Å
732D88.5Confident89.9Confident30 Ų3023.4 Ų23.416%0.1612%0.119CC..Hα-helixtrans-62.4-40174.9-65.9-26.6000111.2S224 R728 T736S224-D732 WeakPolarHBondContact CB-OD2 3.48Å; R728-D732 PolarHBondContact O-N 3.43Å; D732-T736 PolarHBondContact O-N 3.47Å; D732-T736 PolarHBondContact O-OG1 2.96Å
733W90.5Very high90Very high2 Ų222.5 Ų22.51%0.00812%0.115CC..Hα-helixtrans-61.3-48.8172.7-17993.8000111.7H409 M410 F413 V613 G614 G729 T730 N731 R735 T736 Y737H409-W733 HydrophobicContact CB-CH2 3.52Å; H409-W733 HydrophobicContact CB-CZ2 3.21Å; H409-W733 AromaticContact CG-CZ2 3.87Å; M410-W733 HydrophobicContact CB-CH2 4.38Å; F413-W733 HydrophobicContact CD2-CE3 4.04Å; F413-W733 HydrophobicContact CD2-CH2 4.3Å; F413-W733 AromaticContact CD2-CZ3 3.79Å; F413-W733 HydrophobicContact CD2-CZ3 3.79Å; F413-W733 AromaticContact CE2-CD2 3.92Å; F413-W733 HydrophobicContact CE2-CD2 3.92Å; F413-W733 AromaticContact CE2-CE3 3.63Å; F413-W733 HydrophobicContact CE2-CE3 3.63Å; F413-W733 HydrophobicContact CE2-CH2 4.17Å; F413-W733 HydrophobicContact CE2-CZ2 4.41Å; F413-W733 AromaticContact CE2-CZ3 3.75Å; F413-W733 HydrophobicContact CE2-CZ3 3.75Å; V613-W733 HydrophobicContact CG1-CZ2 3.77Å; G614-W733 VanDerWaalsContact O-CD1 3.3Å; G729-W733 WeakPolarHBondContact O-CB 3.18Å; G729-W733 PolarHBondContact O-N 3.16Å; T730-W733 WeakPolarHBondContact O-CB 3.34Å; T730-W733 PolarHBondContact O-N 3.23Å; N731-W733 VanDerWaalsContact C-N 3.29Å; N731-W733 PolarHBondContact O-N 2.8Å; W733-R735 PolarHBondContact O-N 2.8Å; W733-T736 PolarHBondContact O-N 3.26Å; W733-Y737 HydrophobicContact CH2-CD1 4.14Å; W733-Y737 HydrophobicContact CH2-CG 4.06Å; W733-Y737 HydrophobicContact CZ2-CG 4.49Å; W733-Y737 HydrophobicContact CZ3-CD1 4.28Å; W733-Y737 HydrophobicContact CZ3-CG 4.43Å; W733-Y737 WeakPolarHBondContact O-CB 3.46Å; W733-Y737 PolarHBondContact O-N 2.87Å
734F90.5Very high90Very high3 Ų321.6 Ų21.61%0.01311%0.114CC..Hα-helixtrans-60.5-43.4178.2-87-62.1000112.1W365 M410 F413 T730 N731 Y737 L738W365-F734 AromaticContact CD1-CZ 3.83Å; W365-F734 HydrophobicContact CD2-CE1 4.27Å; W365-F734 HydrophobicContact CD2-CE2 4.08Å; W365-F734 AromaticContact CD2-CZ 3.54Å; W365-F734 HydrophobicContact CD2-CZ 3.54Å; W365-F734 AromaticContact CE2-CE2 3.31Å; W365-F734 AromaticContact CE2-CZ 3.28Å; W365-F734 HydrophobicContact CE3-CZ 4.15Å; W365-F734 HydrophobicContact CG-CE1 4.19Å; W365-F734 HydrophobicContact CG-CE2 4.48Å; W365-F734 AromaticContact CG-CZ 3.89Å; W365-F734 HydrophobicContact CG-CZ 3.89Å; W365-F734 HydrophobicContact CH2-CE2 4.3Å; W365-F734 HydrophobicContact CH2-CZ 4.24Å; W365-F734 AromaticContact CZ2-CE2 3.43Å; W365-F734 HydrophobicContact CZ2-CE2 3.43Å; W365-F734 VanDerWaalsContact CZ2-CE2 3.43Å; W365-F734 AromaticContact CZ2-CZ 3.64Å; W365-F734 HydrophobicContact CZ2-CZ 3.64Å; W365-F734 HydrophobicContact CZ3-CZ 4.47Å; W365-F734 AromaticContact NE1-CD2 3.95Å; W365-F734 AromaticContact NE1-CE2 3.33Å; W365-F734 VanDerWaalsContact NE1-CE2 3.33Å; W365-F734 AromaticContact NE1-CZ 3.49Å; M410-F734 HydrophobicContact CE-CE1 3.53Å; M410-F734 HydrophobicContact CE-CZ 4.13Å; M410-F734 HydrophobicContact SD-CD1 4.13Å; M410-F734 HydrophobicContact SD-CE1 3.51Å; M410-F734 VanDerWaalsContact SD-CE1 3.51Å; F413-F734 HydrophobicContact CB-CZ 4.3Å; F413-F734 HydrophobicContact CD2-CE1 4.41Å; F413-F734 HydrophobicContact CD2-CE2 4.29Å; F413-F734 AromaticContact CD2-CZ 3.8Å; F413-F734 HydrophobicContact CD2-CZ 3.8Å; T730-F734 HydrophobicContact CG2-CD2 3.52Å; T730-F734 HydrophobicContact CG2-CE2 3.24Å; T730-F734 HydrophobicContact CG2-CZ 4.38Å; T730-F734 WeakPolarHBondContact O-CD2 3.45Å; T730-F734 PolarHBondContact O-N 2.7Å; N731-F734 PolarHBondContact O-N 3.09Å; F734-Y737 PolarHBondContact O-N 2.95Å; F734-L738 WeakPolarHBondContact O-CB 3.39Å; F734-L738 PolarHBondContact O-N 3.27Å
735R92.1Very high90.1Very high19 Ų1925 Ų257%0.07213%0.126CC..Hα-helixtrans-60-48.3176.9176.6176.9-66.7151.37.7111.5V223 D291 N731 W733 L738 W739V223-R735 VanDerWaalsContact CG1-CD 3.43Å; D291-R735 IonicContact OD1-CZ 3.08Å; D291-R735 IonicContact OD1-NE 3.33Å; D291-R735 PolarHBondContact OD1-NE 3.09Å; D291-R735 IonicContact OD1-NH2 3.34Å; D291-R735 PolarHBondContact OD1-NH2 3.04Å; D291-R735 WeakPolarHBondContact OD2-CG 3.22Å; D291-R735 IonicContact OD2-CZ 2.89Å; D291-R735 IonicContact OD2-NE 3.83Å; D291-R735 PolarHBondContact OD2-NE 3.41Å; D291-R735 IonicContact OD2-NH2 3.38Å; N731-R735 WeakPolarHBondContact O-CB 3.46Å; N731-R735 PolarHBondContact O-N 3.16Å; W733-R735 PolarHBondContact O-N 2.8Å; R735-L738 PolarHBondContact O-N 3.22Å; R735-W739 PolarHBondContact O-N 2.81Å
736T93.3Very high90.4Very high6 Ų621.5 Ų21.54%0.03711%0.11CC..Hα-helixtrans-62.8-45.4179.2-54.30000111D732 W733 G740 F760D732-T736 PolarHBondContact O-N 3.47Å; D732-T736 PolarHBondContact O-OG1 2.96Å; W733-T736 PolarHBondContact O-N 3.26Å; T736-G740 PolarHBondContact O-N 2.89Å; T736-F760 HydrophobicContact CG2-CB 4.09Å; T736-F760 HydrophobicContact CG2-CD1 4.49Å
737Y94.3Very high90.8Very high10 Ų1022 Ų224%0.03911%0.112CC..Hα-helixtrans-61.9-49176.8172.3-115000111.9Q358 V362 G406 M410 W733 F734 G740 V741Q358-Y737 PolarHBondContact OE1-OH 3.33Å; V362-Y737 HydrophobicContact CG2-CD1 4.06Å; V362-Y737 HydrophobicContact CG2-CE1 3.72Å; G406-Y737 VanDerWaalsContact C-CE2 3.45Å; M410-Y737 HydrophobicContact CB-CE1 3.86Å; M410-Y737 HydrophobicContact CG-CE1 3.93Å; M410-Y737 HydrophobicContact SD-CD1 4.31Å; M410-Y737 HydrophobicContact SD-CE1 3.89Å; W733-Y737 HydrophobicContact CH2-CD1 4.14Å; W733-Y737 HydrophobicContact CH2-CG 4.06Å; W733-Y737 HydrophobicContact CZ2-CG 4.49Å; W733-Y737 HydrophobicContact CZ3-CD1 4.28Å; W733-Y737 HydrophobicContact CZ3-CG 4.43Å; W733-Y737 WeakPolarHBondContact O-CB 3.46Å; W733-Y737 PolarHBondContact O-N 2.87Å; F734-Y737 PolarHBondContact O-N 2.95Å; Y737-G740 PolarHBondContact O-N 3.01Å; Y737-V741 HydrophobicContact CD2-CG2 4.07Å; Y737-V741 HydrophobicContact CE1-CG2 4.27Å; Y737-V741 HydrophobicContact CE2-CG2 3.53Å; Y737-V741 WeakPolarHBondContact O-CG2 3.19Å; Y737-V741 PolarHBondContact O-N 3.23Å
738L94.7Very high91Very high5 Ų524.9 Ų24.93%0.02613%0.127CC..Hα-helixtrans-53.7-58.1179.1170.760.8000110.9V287 V362 F734 R735 G740 V741 L742V287-L738 HydrophobicContact CB-CD1 4.12Å; V287-L738 HydrophobicContact CG1-CD1 3.4Å; V287-L738 VanDerWaalsContact CG1-CD1 3.4Å; V287-L738 HydrophobicContact CG1-CD2 3.77Å; V287-L738 HydrophobicContact CG1-CG 4.2Å; V362-L738 HydrophobicContact CG1-CD1 4.47Å; F734-L738 WeakPolarHBondContact O-CB 3.39Å; F734-L738 PolarHBondContact O-N 3.27Å; R735-L738 PolarHBondContact O-N 3.22Å; L738-G740 VanDerWaalsContact C-N 3.26Å; L738-G740 PolarHBondContact O-N 2.87Å; L738-V741 WeakPolarHBondContact O-CB 3.31Å; L738-V741 PolarHBondContact O-N 3.46Å; L738-V741 VanDerWaalsContact O-N 3.07Å; L738-L742 HydrophobicContact CD1-CD1 4.16Å; L738-L742 HydrophobicContact CD1-CD2 4.28Å; L738-L742 HydrophobicContact CD1-CG 4.02Å; L738-L742 HydrophobicContact CG-CD1 4.29Å; L738-L742 HydrophobicContact CG-CG 4.41Å; L738-L742 WeakPolarHBondContact O-CG 3.29Å; L738-L742 PolarHBondContact O-N 3.12Å
739W95.6Very high91.3Very high3 Ų320 Ų201%0.01111%0.108CC..Hα-helixtrans-66.2-29.7-177.4-76.7105.2000112.8L209 L212 S213 V215 I216 A288 R735 L742 Y743 W752 L759 F760L209-W739 HydrophobicContact CD1-CH2 4.09Å; L209-W739 HydrophobicContact CD1-CZ3 4.36Å; L212-W739 HydrophobicContact CB-CH2 3.99Å; L212-W739 HydrophobicContact CB-CZ2 4.22Å; L212-W739 WeakPolarHBondContact O-CZ2 3.45Å; S213-W739 VanDerWaalsContact CA-CH2 3.41Å; S213-W739 VanDerWaalsContact CB-CZ3 3.5Å; V215-W739 HydrophobicContact CG1-CD2 3.92Å; V215-W739 HydrophobicContact CG1-CG 4.11Å; V215-W739 HydrophobicContact CG1-CZ2 3.82Å; V215-W739 VanDerWaalsContact CG1-NE1 3.26Å; I216-W739 HydrophobicContact CG2-CB 3.7Å; I216-W739 HydrophobicContact CG2-CD2 3.73Å; I216-W739 HydrophobicContact CG2-CE3 3.67Å; I216-W739 HydrophobicContact CG2-CG 3.76Å; A288-W739 HydrophobicContact CB-CH2 4.25Å; A288-W739 HydrophobicContact CB-CZ2 4Å; R735-W739 PolarHBondContact O-N 2.81Å; W739-L742 HydrophobicContact CD2-CD1 4.24Å; W739-L742 HydrophobicContact CE3-CB 4.27Å; W739-L742 HydrophobicContact CE3-CD1 3.8Å; W739-L742 HydrophobicContact CH2-CD1 4.28Å; W739-L742 HydrophobicContact CZ3-CD1 3.81Å; W739-L742 PolarHBondContact O-N 3.43Å; W739-Y743 VanDerWaalsContact O-CB 3.31Å; W739-Y743 WeakPolarHBondContact O-CB 3.44Å; W739-Y743 PolarHBondContact O-N 3.05Å; W739-W752 HydrophobicContact CZ3-CZ2 4.26Å; W739-L759 HydrophobicContact CB-CD2 4Å; W739-L759 HydrophobicContact CG-CD2 4.35Å; W739-F760 HydrophobicContact CB-CE1 3.83Å
740G94.6Very high91.6Very high4 Ų420.2 Ų20.24%0.04110%0.104CC..Hα-helixtrans-62.5-42.817000000112.7T736 Y737 L738 L744T736-G740 PolarHBondContact O-N 2.89Å; Y737-G740 PolarHBondContact O-N 3.01Å; L738-G740 VanDerWaalsContact C-N 3.26Å; L738-G740 PolarHBondContact O-N 2.87Å; G740-L744 VanDerWaalsContact O-CG 3.31Å; G740-L744 WeakPolarHBondContact O-CG 3.38Å; G740-L744 PolarHBondContact O-N 3.3Å; G740-L744 VanDerWaalsContact O-N 3.16Å
741V94.3Very high92Very high7 Ų720.2 Ų20.24%0.04210%0.104CC..Hα-helixtrans-64.8-47.5174172.50000110.8Q358 E359 Y737 L738 Y743 L744 R745Q358-V741 HydrophobicContact CB-CG1 3.8Å; Q358-V741 HydrophobicContact CB-CG2 4.2Å; E359-V741 HydrophobicContact CG-CG1 4.01Å; Y737-V741 HydrophobicContact CD2-CG2 4.07Å; Y737-V741 HydrophobicContact CE1-CG2 4.27Å; Y737-V741 HydrophobicContact CE2-CG2 3.53Å; Y737-V741 WeakPolarHBondContact O-CG2 3.19Å; Y737-V741 PolarHBondContact O-N 3.23Å; L738-V741 WeakPolarHBondContact O-CB 3.31Å; L738-V741 PolarHBondContact O-N 3.46Å; L738-V741 VanDerWaalsContact O-N 3.07Å; V741-Y743 VanDerWaalsContact C-N 3.3Å; V741-Y743 PolarHBondContact O-N 3.03Å; V741-L744 PolarHBondContact O-N 3.43Å; V741-R745 HydrophobicContact CG1-CG 4.06Å; V741-R745 WeakPolarHBondContact O-CB 3.43Å; V741-R745 VanDerWaalsContact O-CG 3.25Å; V741-R745 WeakPolarHBondContact O-CG 3.09Å; V741-R745 PolarHBondContact O-N 3.23Å
742L95.5Very high92.4Very high0 Ų020.1 Ų20.10%010%0.103CC..Hα-helixtrans-58.3-44.2179.6-64.5-168.2000111.6L209 Q284 A288 E359 L738 W739 R745 N746 W752L209-L742 HydrophobicContact CD1-CD1 4.14Å; Q284-L742 HydrophobicContact CB-CD2 3.56Å; Q284-L742 HydrophobicContact CG-CD2 3.31Å; A288-L742 HydrophobicContact CB-CD1 4.48Å; E359-L742 HydrophobicContact CG-CD2 4.21Å; L738-L742 HydrophobicContact CD1-CD1 4.16Å; L738-L742 HydrophobicContact CD1-CD2 4.28Å; L738-L742 HydrophobicContact CD1-CG 4.02Å; L738-L742 HydrophobicContact CG-CD1 4.29Å; L738-L742 HydrophobicContact CG-CG 4.41Å; L738-L742 WeakPolarHBondContact O-CG 3.29Å; L738-L742 PolarHBondContact O-N 3.12Å; W739-L742 HydrophobicContact CD2-CD1 4.24Å; W739-L742 HydrophobicContact CE3-CB 4.27Å; W739-L742 HydrophobicContact CE3-CD1 3.8Å; W739-L742 HydrophobicContact CH2-CD1 4.28Å; W739-L742 HydrophobicContact CZ3-CD1 3.81Å; W739-L742 PolarHBondContact O-N 3.43Å; L742-R745 PolarHBondContact O-N 3.11Å; L742-N746 PolarHBondContact O-N 2.72Å; L742-N746 VanDerWaalsContact O-N 3.14Å; L742-N746 PolarHBondContact O-ND2 2.84Å; L742-W752 HydrophobicContact CB-CZ3 4.39Å; L742-W752 WeakPolarHBondContact O-CZ3 3.41Å
743Y95.2Very high92.6Very high10 Ų1019.7 Ų19.74%0.03910%0.1CC..Hα-helixtrans-55.5-53.7174.4175.9-89.2000112W739 V741 R745 N746 W752 Y753 I757 F760 I762W739-Y743 VanDerWaalsContact O-CB 3.31Å; W739-Y743 WeakPolarHBondContact O-CB 3.44Å; W739-Y743 PolarHBondContact O-N 3.05Å; V741-Y743 VanDerWaalsContact C-N 3.3Å; V741-Y743 PolarHBondContact O-N 3.03Å; Y743-R745 VanDerWaalsContact C-N 3.26Å; Y743-R745 PolarHBondContact O-N 3.22Å; Y743-N746 PolarHBondContact O-N 2.95Å; Y743-W752 HydrophobicContact CD2-CB 3.51Å; Y743-W752 HydrophobicContact CD2-CG 4.47Å; Y743-W752 HydrophobicContact CE2-CB 3.7Å; Y743-W752 WeakPolarHBondContact CE2-O 3.33Å; Y743-Y753 HydrophobicContact CE1-CE2 4.29Å; Y743-Y753 WeakPolarHBondContact O-CE2 3.49Å; Y743-I757 HydrophobicContact CD2-CD1 3.2Å; Y743-I757 HydrophobicContact CE2-CD1 3.09Å; Y743-I757 HydrophobicContact CG-CD1 4.19Å; Y743-F760 HydrophobicContact CD1-CE2 4.37Å; Y743-F760 HydrophobicContact CG-CE2 4.07Å; Y743-F760 HydrophobicContact CG-CZ 4.16Å; Y743-I762 HydrophobicContact CD1-CD1 4.12Å; Y743-I762 HydrophobicContact CD1-CG1 4.3Å; Y743-I762 HydrophobicContact CD2-CD1 4.39Å; Y743-I762 HydrophobicContact CE1-CD1 3.46Å; Y743-I762 VanDerWaalsContact CE1-CD1 3.46Å; Y743-I762 HydrophobicContact CE1-CG1 3.85Å; Y743-I762 HydrophobicContact CE1-CG2 4.29Å; Y743-I762 HydrophobicContact CE2-CD1 3.76Å; Y743-I762 WeakPolarHBondContact OH-CD1 3.12Å
744L92.5Very high92.5Very high51 Ų5125.1 Ų25.127%0.26713%0.129SC..Hα-helixtrans-68.5-23.7-176.3-67.1172.3000113.5A611 G740 V741A611-L744 HydrophobicContact CB-CD1 4.06Å; A611-L744 HydrophobicContact CB-CG 4.42Å; G740-L744 VanDerWaalsContact O-CG 3.31Å; G740-L744 WeakPolarHBondContact O-CG 3.38Å; G740-L744 PolarHBondContact O-N 3.3Å; G740-L744 VanDerWaalsContact O-N 3.16Å; V741-L744 PolarHBondContact O-N 3.43Å
745R91.5Very high92.5Very high79 Ų7925.6 Ų25.630%0.29813%0.133SC..Hα-helixtrans-87.4-25.9-178.3-72.6-70.9-60.1156.88.9113.3E280 E359 V741 L742 Y743 T747E280-R745 IonicContact OE1-NH2 3.57Å; E280-R745 IonicContact OE2-NH2 3.72Å; E280-R745 PolarHBondContact OE2-NH2 3.2Å; E359-R745 WeakPolarHBondContact OE1-CG 3.4Å; E359-R745 IonicContact OE1-NE 2.71Å; V741-R745 HydrophobicContact CG1-CG 4.06Å; V741-R745 WeakPolarHBondContact O-CB 3.43Å; V741-R745 VanDerWaalsContact O-CG 3.25Å; V741-R745 WeakPolarHBondContact O-CG 3.09Å; V741-R745 PolarHBondContact O-N 3.23Å; L742-R745 PolarHBondContact O-N 3.11Å; Y743-R745 VanDerWaalsContact C-N 3.26Å; Y743-R745 PolarHBondContact O-N 3.22Å; R745-T747 VanDerWaalsContact C-N 3.31Å; R745-T747 PolarHBondContact O-N 3.26Å; R745-T747 VanDerWaalsContact O-N 3.11Å
746N92.7Very high92.6Very high8 Ų830.6 Ų30.64%0.04315%0.152CC..  trans-89.269.9-179.5-77.7-94.9000110.8Q284 L742 Y743 P749 P750 W752Q284-N746 PolarHBondContact NE2-ND2 3.47Å; Q284-N746 PolarHBondContact OE1-ND2 3.21Å; L742-N746 PolarHBondContact O-N 2.72Å; L742-N746 VanDerWaalsContact O-N 3.14Å; L742-N746 PolarHBondContact O-ND2 2.84Å; Y743-N746 PolarHBondContact O-N 2.95Å; N746-P749 CarbonylContact C-O 3.57Å; N746-P750 WeakPolarHBondContact O-CA 3.42Å; N746-W752 HydrophobicContact CB-CE3 3.75Å; N746-W752 HydrophobicContact CB-CH2 4.4Å; N746-W752 HydrophobicContact CB-CZ3 3.41Å; N746-W752 VanDerWaalsContact CB-CZ3 3.41Å; N746-W752 WeakPolarHBondContact ND2-CZ3 3.41Å
747T88.9Confident92.6Very high59 Ų5931.7 Ų31.736%0.36216%0.157SC..  trans-92.5-23175.155.10000113.4R745 P749 P750 Y753R745-T747 VanDerWaalsContact C-N 3.31Å; R745-T747 PolarHBondContact O-N 3.26Å; R745-T747 VanDerWaalsContact O-N 3.11Å; T747-P749 VanDerWaalsContact C-C 3.46Å; T747-P749 CarbonylContact C-O 3.5Å; T747-P749 CarbonylContact O-C 3.38Å; T747-P750 WeakPolarHBondContact O-CD 3.12Å; T747-Y753 HydrophobicContact CG2-CE2 3.92Å; T747-Y753 WeakPolarHBondContact CG2-OH 3.2Å
748D87.5Confident92.6Very high89 Ų8935.4 Ų35.448%0.47618%0.175SC..SBendtrans-134.498.8178.3-174.119.8000111.3Q45 R206Q45-D748 WeakPolarHBondContact CG-OD1 3.36Å; Q45-D748 PolarHBondContact NE2-OD1 2.7Å; Q45-D748 PolarHBondContact NE2-OD2 3.38Å; R206-D748 PolarHBondContact NH2-O 3.39Å
749P89Confident92.5Very high0 Ų035.5 Ų35.50%018%0.175CC..SBendcis-72.2157.8-5.932.6-35.7000112V44 F48 N746 T747 I751V44-P749 HydrophobicContact CB-CG 4.47Å; V44-P749 HydrophobicContact CG1-CB 4.11Å; V44-P749 HydrophobicContact CG1-CG 3.88Å; V44-P749 HydrophobicContact CG2-CB 4.09Å; V44-P749 HydrophobicContact CG2-CG 3.75Å; F48-P749 HydrophobicContact CD2-CB 3.74Å; F48-P749 HydrophobicContact CE1-CB 4.48Å; F48-P749 HydrophobicContact CE2-CB 3.54Å; F48-P749 HydrophobicContact CE2-CG 4.03Å; F48-P749 HydrophobicContact CG-CB 4.33Å; F48-P749 HydrophobicContact CZ-CB 3.95Å; F48-P749 HydrophobicContact CZ-CG 4.37Å; N746-P749 CarbonylContact C-O 3.57Å; T747-P749 VanDerWaalsContact C-C 3.46Å; T747-P749 CarbonylContact C-O 3.5Å; T747-P749 CarbonylContact O-C 3.38Å; P749-I751 HydrophobicContact CG-CD1 4.42Å; P749-I751 HydrophobicContact CG-CG1 3.9Å; P749-I751 PolarHBondContact O-N 2.93Å
750P92.1Very high92.4Very high36 Ų3635.8 Ų35.823%0.23418%0.176CC..  trans-79.366.2-179.334.1-36.5000111.6F48 N746 T747 W752 Y753F48-P750 HydrophobicContact CD1-CG 3.9Å; F48-P750 HydrophobicContact CE1-CG 4.42Å; F48-P750 WeakPolarHBondContact CE1-O 3.49Å; F48-P750 HydrophobicContact CG-CG 4.49Å; N746-P750 WeakPolarHBondContact O-CA 3.42Å; T747-P750 WeakPolarHBondContact O-CD 3.12Å; P750-W752 PolarHBondContact O-N 3.26Å; P750-Y753 HydrophobicContact CB-CD2 4.11Å; P750-Y753 HydrophobicContact CB-CG 4.15Å; P750-Y753 PolarHBondContact O-N 3.24Å
751I93.4Very high92.1Very high0 Ų042 Ų420%020%0.204CC..SBendtrans-53-48.3-166.9-60.9177.8000112.8F48 T103 P107 R206 T210 P749F48-I751 HydrophobicContact CZ-CG1 4.3Å; T103-I751 HydrophobicContact CG2-CD1 4.19Å; T103-I751 HydrophobicContact CG2-CG1 4.26Å; T103-I751 HydrophobicContact CG2-CG2 4.48Å; P107-I751 HydrophobicContact CG-CG2 3.93Å; P107-I751 WeakPolarHBondContact CG-O 3.43Å; R206-I751 HydrophobicContact CB-CD1 4.36Å; R206-I751 HydrophobicContact CG-CD1 4.46Å; T210-I751 HydrophobicContact CG2-CG2 4.11Å; P749-I751 HydrophobicContact CG-CD1 4.42Å; P749-I751 HydrophobicContact CG-CG1 3.9Å; P749-I751 PolarHBondContact O-N 2.93Å
752W94.9Very high91.8Very high1 Ų144.3 Ų44.30%0.00422%0.216CC..SBendtrans-105.4-7.3-173.1-58-70.6000113.8L209 S213 I216 W739 L742 Y743 N746 P750 S755L209-W752 HydrophobicContact CD2-CH2 3.95Å; L209-W752 HydrophobicContact CG-CH2 4.02Å; L209-W752 HydrophobicContact CG-CZ2 4.3Å; S213-W752 PolarHBondContact OG-NE1 3.15Å; I216-W752 HydrophobicContact CD1-CB 4.29Å; I216-W752 VanDerWaalsContact CD1-CD1 3.5Å; I216-W752 HydrophobicContact CD1-CG 3.87Å; W739-W752 HydrophobicContact CZ3-CZ2 4.26Å; L742-W752 HydrophobicContact CB-CZ3 4.39Å; L742-W752 WeakPolarHBondContact O-CZ3 3.41Å; Y743-W752 HydrophobicContact CD2-CB 3.51Å; Y743-W752 HydrophobicContact CD2-CG 4.47Å; Y743-W752 HydrophobicContact CE2-CB 3.7Å; Y743-W752 WeakPolarHBondContact CE2-O 3.33Å; N746-W752 HydrophobicContact CB-CE3 3.75Å; N746-W752 HydrophobicContact CB-CH2 4.4Å; N746-W752 HydrophobicContact CB-CZ3 3.41Å; N746-W752 VanDerWaalsContact CB-CZ3 3.41Å; N746-W752 WeakPolarHBondContact ND2-CZ3 3.41Å; P750-W752 PolarHBondContact O-N 3.26Å; W752-S755 VanDerWaalsContact O-CB 3.25Å; W752-S755 WeakPolarHBondContact O-CB 3.36Å; W752-S755 PolarHBondContact O-N 3Å; W752-S755 VanDerWaalsContact O-N 3.11Å; W752-S755 PolarHBondContact O-OG 3.11Å
753Y91.1Very high91.1Very high22 Ų2248.5 Ų48.59%0.08624%0.235CC..THydrogen-bonded Turntrans-60.5145.7179.2-82.3-109.9000110.3Y609 Y743 T747 P750 S755Y609-Y753 AromaticContact CD2-CE1 3.69Å; Y609-Y753 HydrophobicContact CD2-CE1 3.69Å; Y609-Y753 HydrophobicContact CE2-CD1 4.37Å; Y609-Y753 AromaticContact CE2-CE1 3.76Å; Y609-Y753 HydrophobicContact CE2-CE1 3.76Å; Y743-Y753 HydrophobicContact CE1-CE2 4.29Å; Y743-Y753 WeakPolarHBondContact O-CE2 3.49Å; T747-Y753 HydrophobicContact CG2-CE2 3.92Å; T747-Y753 WeakPolarHBondContact CG2-OH 3.2Å; P750-Y753 HydrophobicContact CB-CD2 4.11Å; P750-Y753 HydrophobicContact CB-CG 4.15Å; P750-Y753 PolarHBondContact O-N 3.24Å; Y753-S755 PolarHBondContact O-N 2.92Å; Y753-S755 VanDerWaalsContact O-N 3.13Å
754D88.6Confident90.1Very high115 Ų11555.2 Ų55.262%0.61527%0.265SS*.THydrogen-bonded Turntrans63.22.9-172.7-52.1-40.4000115.6R57R57-D754 PolarHBondContact NH2-O 2.84Å
755S91.8Very high89Confident13 Ų1358.7 Ų58.79%0.09129%0.288CS..SBendtrans-81.7154.3175.575.30000112.9E111 Y217 W752 Y753 I757E111-S755 WeakPolarHBondContact OE1-CA 3.34Å; Y217-S755 PolarHBondContact OH-OG 2.92Å; W752-S755 VanDerWaalsContact O-CB 3.25Å; W752-S755 WeakPolarHBondContact O-CB 3.36Å; W752-S755 PolarHBondContact O-N 3Å; W752-S755 VanDerWaalsContact O-N 3.11Å; W752-S755 PolarHBondContact O-OG 3.11Å; Y753-S755 PolarHBondContact O-N 2.92Å; Y753-S755 VanDerWaalsContact O-N 3.13Å; S755-I757 VanDerWaalsContact C-N 3.35Å; S755-I757 PolarHBondContact O-N 3.22Å
756R92.8Very high88.8Confident125 Ų12557.7 Ų57.747%0.47229%0.287SS..  trans-8170.5-177.3-63.3-178.7-178.2167.83113.1E111 E112E111-R756 HydrophobicContact CB-CB 4.33Å; E111-R756 HydrophobicContact CG-CB 3.93Å; E111-R756 HydrophobicContact CG-CG 4.4Å; E111-R756 PolarHBondContact OE1-N 3.27Å; E111-R756 VanDerWaalsContact OE1-N 3.07Å; E112-R756 IonicContact OE1-NH1 3.54Å
757I93.4Very high88.6Confident28 Ų2860.3 Ų60.314%0.14430%0.3CS..  trans-68145.1179.8-65.8162000111.6I216 Y217 Y743 S755 F760 I762I216-I757 HydrophobicContact CB-CG2 4.32Å; I216-I757 HydrophobicContact CD1-CD1 4.2Å; I216-I757 HydrophobicContact CD1-CG1 3.99Å; I216-I757 HydrophobicContact CG1-CG1 4.1Å; I216-I757 WeakPolarHBondContact O-CG2 3.42Å; Y217-I757 HydrophobicContact CE1-CG1 4.42Å; Y743-I757 HydrophobicContact CD2-CD1 3.2Å; Y743-I757 HydrophobicContact CE2-CD1 3.09Å; Y743-I757 HydrophobicContact CG-CD1 4.19Å; S755-I757 VanDerWaalsContact C-N 3.35Å; S755-I757 PolarHBondContact O-N 3.22Å; I757-F760 HydrophobicContact CD1-CE2 4.42Å; I757-F760 HydrophobicContact CG2-CD2 4.15Å; I757-F760 HydrophobicContact CG2-CE1 4.35Å; I757-F760 HydrophobicContact CG2-CE2 3.91Å; I757-F760 HydrophobicContact CG2-CG 4.48Å; I757-F760 HydrophobicContact CG2-CZ 4.01Å; I757-I762 HydrophobicContact CD1-CD1 3.68Å
758Q94Very high88.6Confident89 Ų8960.3 Ų60.342%0.41630%0.297SS..  trans-128-17.8-178.1-58.1-173.913.100114.1I216 Y217 H218 P219I216-Q758 PolarHBondContact O-N 3.28Å; Y217-Q758 PolarHBondContact O-OE1 3.15Å; H218-Q758 CarbonylContact O-C 3.12Å; P219-Q758 VanDerWaalsContact CD-OE1 3.23Å; P219-Q758 VanDerWaalsContact CG-OE1 3.31Å
759L92.8Very high88.7Confident6 Ų658.6 Ų58.63%0.03129%0.286CS..SBendtrans-69.5-37.2-178.217861000112.5V215 I216 H218 V223 W739V215-L759 HydrophobicContact CG2-CD2 4.47Å; I216-L759 HydrophobicContact CB-CB 4.48Å; I216-L759 HydrophobicContact CG2-CD2 4.35Å; I216-L759 PolarHBondContact O-N 2.92Å; H218-L759 WeakPolarHBondContact O-CA 3.44Å; H218-L759 PolarHBondContact O-N 3.01Å; V223-L759 HydrophobicContact CB-CD1 4.14Å; V223-L759 HydrophobicContact CG1-CD1 4.14Å; V223-L759 HydrophobicContact CG2-CD1 4.03Å; W739-L759 HydrophobicContact CB-CD2 4Å; W739-L759 HydrophobicContact CG-CD2 4.35Å
760F93Very high88.7Confident10 Ų1062.3 Ų62.34%0.04430%0.304CS..SBendtrans-144.5156.9178.749.7-97.2000110.4I216 A611 S612 T736 W739 Y743 I757 I762I216-F760 HydrophobicContact CB-CE1 4.49Å; I216-F760 HydrophobicContact CG2-CE1 4.29Å; A611-F760 HydrophobicContact CB-CD2 3.84Å; A611-F760 HydrophobicContact CB-CE2 4.15Å; A611-F760 HydrophobicContact CB-CG 4.47Å; S612-F760 WeakPolarHBondContact O-CB 3.46Å; S612-F760 WeakPolarHBondContact OG-CB 3.44Å; T736-F760 HydrophobicContact CG2-CB 4.09Å; T736-F760 HydrophobicContact CG2-CD1 4.49Å; W739-F760 HydrophobicContact CB-CE1 3.83Å; Y743-F760 HydrophobicContact CD1-CE2 4.37Å; Y743-F760 HydrophobicContact CG-CE2 4.07Å; Y743-F760 HydrophobicContact CG-CZ 4.16Å; I757-F760 HydrophobicContact CD1-CE2 4.42Å; I757-F760 HydrophobicContact CG2-CD2 4.15Å; I757-F760 HydrophobicContact CG2-CE1 4.35Å; I757-F760 HydrophobicContact CG2-CE2 3.91Å; I757-F760 HydrophobicContact CG2-CG 4.48Å; I757-F760 HydrophobicContact CG2-CZ 4.01Å; F760-I762 HydrophobicContact CD2-CG1 4.23Å; F760-I762 HydrophobicContact CE2-CD1 4.39Å; F760-I762 HydrophobicContact CE2-CG1 4.13Å
761E89.4Confident88.4Confident133 Ų13364.1 Ų64.162%0.62131%0.309SS*.  trans-88142.4175.4-62.5178.2179.500110.8A611 S612A611-E761 CarbonylContact C-O 3.57Å; A611-E761 WeakPolarHBondContact CA-O 3.38Å; S612-E761 PolarHBondContact N-O 3.24Å; S612-E761 PolarHBondContact OG-N 3.44Å
762I87Confident88.1Confident57 Ų5768.6 Ų68.629%0.29233%0.331SS..EExtended strand (participates in β ladder)trans-106.2121175.6-64.1153.9000108.4Y609 S610 Y743 I757 F760Y609-I762 HydrophobicContact CD1-CG2 3.65Å; Y609-I762 HydrophobicContact CE1-CG2 4.46Å; Y609-I762 HydrophobicContact CG-CG2 4.15Å; S610-I762 WeakPolarHBondContact O-CA 3.45Å; Y743-I762 HydrophobicContact CD1-CD1 4.12Å; Y743-I762 HydrophobicContact CD1-CG1 4.3Å; Y743-I762 HydrophobicContact CD2-CD1 4.39Å; Y743-I762 HydrophobicContact CE1-CD1 3.46Å; Y743-I762 VanDerWaalsContact CE1-CD1 3.46Å; Y743-I762 HydrophobicContact CE1-CG1 3.85Å; Y743-I762 HydrophobicContact CE1-CG2 4.29Å; Y743-I762 HydrophobicContact CE2-CD1 3.76Å; Y743-I762 WeakPolarHBondContact OH-CD1 3.12Å; I757-I762 HydrophobicContact CD1-CD1 3.68Å; F760-I762 HydrophobicContact CD2-CG1 4.23Å; F760-I762 HydrophobicContact CE2-CD1 4.39Å; F760-I762 HydrophobicContact CE2-CG1 4.13Å
763Q81.7Confident87.6Confident87 Ų8773.8 Ų73.841%0.40736%0.356SS..EExtended strand (participates in β ladder)trans-109130.6177.8-63.7-178.2-5.900109.6Y609 S610Y609-Q763 CarbonylContact C-O 3.06Å; Y609-Q763 WeakPolarHBondContact CA-O 3.34Å; S610-Q763 PolarHBondContact N-O 3.08Å; S610-Q763 PolarHBondContact O-N 2.74Å
764K75Confident87.3Confident151 Ų15178.2 Ų78.266%0.65738%0.378SS*.EExtended strand (participates in β ladder)trans-76.3127.6169-165.2174.7-177.61760108.4Y609Y609-K764 HydrophobicContact CD1-CB 4.27Å; Y609-K764 HydrophobicContact CD1-CG 4.48Å; Y609-K764 HydrophobicContact CE1-CB 4.15Å; Y609-K764 HydrophobicContact CE1-CG 4.16Å
765V67.7Low87.1Confident124 Ų12474.8 Ų74.875%0.75236%0.357SS*.  trans-92.40-176-175.70000110.7T403 A608T403-V765 HydrophobicContact CG2-CB 4.49Å; T403-V765 HydrophobicContact CG2-CG1 4Å; T403-V765 HydrophobicContact CG2-CG2 3.63Å; A608-V765 HydrophobicContact CB-CB 4.15Å; A608-V765 WeakPolarHBondContact O-CA 3.3Å; A608-V765 WeakPolarHBondContact O-CB 3.19Å; A608-V765 WeakPolarHBondContact O-CG2 3.33Å; A608-V765 PolarHBondContact O-N 3.01Å

Retrieved 765 of 765 residues in 237.9 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).