A0A087YAB2_POEFO Loading...

TEPSIN adaptor related protein complex 4 accessory protein

AlphaFold DB , UniProt , Accession A0A087YAB2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 615 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
1M66.3Low84.7Confident180 Ų18074.5 Ų74.589%0.88738%0.384SS*.  0133.80-155.6171-157.300108
2A77.2Confident85.6Confident14 Ų1481.1 Ų81.112%0.11641%0.412CS..  trans-70.6147.4177.700000111.2R7 Q48A2-R7 HydrophobicContact CB-CG 4.12Å; A2-Q48 HydrophobicContact CB-CB 4.48Å
3A84.7Confident86.4Confident52 Ų5278.4 Ų78.443%0.4340%0.395SS..  trans-69.8151.1173.300000111M5 E6 R7A3-M5 VanDerWaalsContact C-N 3.26Å; A3-M5 PolarHBondContact O-N 3.49Å; A3-E6 HydrophobicContact CB-CG 4.14Å; A3-E6 WeakPolarHBondContact CB-OE2 3.4Å; A3-E6 PolarHBondContact N-OE2 3.48Å; A3-E6 WeakPolarHBondContact O-CB 3.17Å; A3-E6 PolarHBondContact O-N 3.38Å; A3-R7 PolarHBondContact O-N 3.43Å
4F82.1Confident87.1Confident147 Ų14774.7 Ų74.765%0.64538%0.377SS*.Hα-helixtrans-54.8-40.7-179.9177-107.1000113E6 R7 L8F4-E6 PolarHBondContact O-N 3.21Å; F4-R7 PolarHBondContact O-N 3.46Å; F4-L8 HydrophobicContact CD1-CD1 4.05Å; F4-L8 HydrophobicContact CD1-CG 4.5Å; F4-L8 HydrophobicContact CE1-CD1 3.44Å; F4-L8 VanDerWaalsContact CE1-CD1 3.44Å; F4-L8 HydrophobicContact CE1-CG 4.1Å; F4-L8 HydrophobicContact CE2-CD1 4.49Å; F4-L8 HydrophobicContact CE2-CD2 4.5Å; F4-L8 HydrophobicContact CE2-CG 4.33Å; F4-L8 HydrophobicContact CZ-CD1 3.69Å; F4-L8 HydrophobicContact CZ-CD2 4.23Å; F4-L8 HydrophobicContact CZ-CG 4Å; F4-L8 PolarHBondContact O-N 3.03Å
5M88.1Confident87.7Confident135 Ų13575.9 Ų75.967%0.66539%0.392SS*.Hα-helixtrans-65.6-36.2176.5-63.6-56.6-64.100112.8A3 L8 S9A3-M5 VanDerWaalsContact C-N 3.26Å; A3-M5 PolarHBondContact O-N 3.49Å; M5-L8 PolarHBondContact O-N 3.48Å; M5-L8 HydrophobicContact SD-CD1 4.43Å; M5-S9 PolarHBondContact O-N 3.02Å; M5-S9 PolarHBondContact O-OG 3.15Å; M5-S9 VanDerWaalsContact O-OG 3.1Å
6E87.1Confident88.3Confident49 Ų4973.4 Ų73.423%0.22938%0.381CS..Hα-helixtrans-67.4-40.6174.8-63.1176.9110.300111.1A3 F4 S9 F10 S43 G45 Y46A3-E6 HydrophobicContact CB-CG 4.14Å; A3-E6 WeakPolarHBondContact CB-OE2 3.4Å; A3-E6 PolarHBondContact N-OE2 3.48Å; A3-E6 WeakPolarHBondContact O-CB 3.17Å; A3-E6 PolarHBondContact O-N 3.38Å; F4-E6 PolarHBondContact O-N 3.21Å; E6-S9 PolarHBondContact O-N 3.38Å; E6-S9 PolarHBondContact O-OG 2.69Å; E6-F10 WeakPolarHBondContact O-CB 3.31Å; E6-F10 PolarHBondContact O-N 3.21Å; E6-S43 VanDerWaalsContact OE1-CB 3.27Å; E6-S43 WeakPolarHBondContact OE1-CB 3.25Å; E6-S43 PolarHBondContact OE1-OG 3.4Å; E6-G45 WeakPolarHBondContact OE1-CA 3.28Å; E6-G45 PolarHBondContact OE1-N 3.4Å; E6-G45 WeakPolarHBondContact OE2-CA 3.36Å; E6-Y46 HydrophobicContact CB-CD2 4.2Å; E6-Y46 HydrophobicContact CB-CE2 4.19Å; E6-Y46 WeakPolarHBondContact O-CE2 3.43Å
7R86.6Confident88.8Confident56 Ų5669.1 Ų69.121%0.21136%0.359CS..Hα-helixtrans-61.3-44.2174.1-86177160.3-167.7-6.7111.8A2 A3 F4 F10 L11 C49 E52A2-R7 HydrophobicContact CB-CG 4.12Å; A3-R7 PolarHBondContact O-N 3.43Å; F4-R7 PolarHBondContact O-N 3.46Å; R7-F10 PolarHBondContact O-N 3.38Å; R7-L11 WeakPolarHBondContact O-CG 3.42Å; R7-L11 PolarHBondContact O-N 3.39Å; R7-C49 WeakPolarHBondContact CG-SG 3.31Å; R7-E52 IonicContact CZ-OE1 3.85Å; R7-E52 IonicContact CZ-OE2 2.72Å; R7-E52 IonicContact NE-OE2 2.8Å; R7-E52 IonicContact NH2-OE1 3.05Å; R7-E52 PolarHBondContact NH2-OE1 2.97Å; R7-E52 IonicContact NH2-OE2 2.72Å; R7-E52 PolarHBondContact NH2-OE2 3.41Å
8L85.7Confident89.3Confident78 Ų7868.3 Ų68.341%0.40835%0.354SS..Hα-helixtrans-63.6-43.7176-74.7-177.3000112.9F4 M5 L11F4-L8 HydrophobicContact CD1-CD1 4.05Å; F4-L8 HydrophobicContact CD1-CG 4.5Å; F4-L8 HydrophobicContact CE1-CD1 3.44Å; F4-L8 VanDerWaalsContact CE1-CD1 3.44Å; F4-L8 HydrophobicContact CE1-CG 4.1Å; F4-L8 HydrophobicContact CE2-CD1 4.49Å; F4-L8 HydrophobicContact CE2-CD2 4.5Å; F4-L8 HydrophobicContact CE2-CG 4.33Å; F4-L8 HydrophobicContact CZ-CD1 3.69Å; F4-L8 HydrophobicContact CZ-CD2 4.23Å; F4-L8 HydrophobicContact CZ-CG 4Å; F4-L8 PolarHBondContact O-N 3.03Å; M5-L8 PolarHBondContact O-N 3.48Å; M5-L8 HydrophobicContact SD-CD1 4.43Å; L8-L11 HydrophobicContact CD2-CD1 4.22Å; L8-L11 WeakPolarHBondContact O-CB 3.42Å; L8-L11 WeakPolarHBondContact O-CG 3.38Å; L8-L11 PolarHBondContact O-N 3.39Å
9S87.8Confident89.8Confident37 Ų3770.9 Ų70.926%0.25936%0.362SS..Hα-helixtrans-75.6-26.8-18062.70000112.6M5 E6 L11 Q12 Y46M5-S9 PolarHBondContact O-N 3.02Å; M5-S9 PolarHBondContact O-OG 3.15Å; M5-S9 VanDerWaalsContact O-OG 3.1Å; E6-S9 PolarHBondContact O-N 3.38Å; E6-S9 PolarHBondContact O-OG 2.69Å; S9-L11 PolarHBondContact O-N 2.88Å; S9-Q12 WeakPolarHBondContact O-CB 3.43Å; S9-Q12 WeakPolarHBondContact O-CG 3.41Å; S9-Q12 PolarHBondContact O-N 2.74Å; S9-Y46 VanDerWaalsContact C-OH 3.25Å; S9-Y46 WeakPolarHBondContact CB-OH 3.49Å; S9-Y46 PolarHBondContact O-OH 3.08Å; S9-Y46 WeakPolarHBondContact OG-CE2 3.34Å; S9-Y46 PolarHBondContact OG-OH 3.12Å
10F94.5Very high90.2Very high1 Ų167.4 Ų67.40%0.00434%0.344CS..Hα-helixtrans-62.7-27.4170.7-177.4-91000113E6 R7 Q12 K13 L17 I39 Y46 C49 L50 F610E6-F10 WeakPolarHBondContact O-CB 3.31Å; E6-F10 PolarHBondContact O-N 3.21Å; R7-F10 PolarHBondContact O-N 3.38Å; F10-Q12 PolarHBondContact O-N 3.39Å; F10-K13 HydrophobicContact CD2-CG 4.49Å; F10-K13 WeakPolarHBondContact O-CB 3.29Å; F10-K13 PolarHBondContact O-N 2.98Å; F10-L17 HydrophobicContact CE1-CD1 3.94Å; F10-L17 HydrophobicContact CE2-CD1 4.23Å; F10-L17 HydrophobicContact CZ-CD1 3.42Å; F10-L17 VanDerWaalsContact CZ-CD1 3.42Å; F10-I39 HydrophobicContact CD2-CG2 4.38Å; F10-I39 HydrophobicContact CE2-CG2 3.83Å; F10-Y46 HydrophobicContact CB-CD2 4.5Å; F10-Y46 HydrophobicContact CB-CE2 4.3Å; F10-Y46 HydrophobicContact CD2-CD1 4.04Å; F10-Y46 HydrophobicContact CD2-CE1 4.5Å; F10-Y46 HydrophobicContact CD2-CG 4.08Å; F10-C49 HydrophobicContact CB-CB 4.18Å; F10-C49 HydrophobicContact CD1-CB 3.55Å; F10-C49 HydrophobicContact CD2-CB 3.64Å; F10-C49 HydrophobicContact CE1-CB 3.73Å; F10-C49 HydrophobicContact CE2-CB 3.81Å; F10-C49 HydrophobicContact CG-CB 3.5Å; F10-C49 HydrophobicContact CZ-CB 3.85Å; F10-L50 HydrophobicContact CE2-CB 4.01Å; F10-L50 HydrophobicContact CZ-CB 4.16Å; F10-F610 HydrophobicContact CD1-CE1 4.26Å; F10-F610 AromaticContact CD1-CZ 3.96Å; F10-F610 HydrophobicContact CD1-CZ 3.96Å; F10-F610 AromaticContact CE1-CE1 3.97Å; F10-F610 HydrophobicContact CE1-CE1 3.97Å; F10-F610 AromaticContact CE1-CZ 3.67Å; F10-F610 HydrophobicContact CE1-CZ 3.67Å
11L92Very high90.6Very high71 Ų7164.1 Ų64.137%0.37233%0.328SS..G310 helixtrans-54.1-31.2175.6-56.9-178000112.5R7 L8 S9 K13 I14 V609R7-L11 WeakPolarHBondContact O-CG 3.42Å; R7-L11 PolarHBondContact O-N 3.39Å; L8-L11 HydrophobicContact CD2-CD1 4.22Å; L8-L11 WeakPolarHBondContact O-CB 3.42Å; L8-L11 WeakPolarHBondContact O-CG 3.38Å; L8-L11 PolarHBondContact O-N 3.39Å; S9-L11 PolarHBondContact O-N 2.88Å; L11-K13 PolarHBondContact O-N 3.43Å; L11-I14 HydrophobicContact CB-CD1 4.28Å; L11-I14 HydrophobicContact CD2-CD1 3.64Å; L11-I14 WeakPolarHBondContact O-CB 3.26Å; L11-I14 PolarHBondContact O-N 2.87Å; L11-I14 VanDerWaalsContact O-N 3.16Å; L11-V609 HydrophobicContact CD2-CG1 4.35Å
12Q94.8Very high92.1Very high153 Ų15357 Ų5772%0.71530%0.297SS*.G310 helixtrans-64.5-18.1176.8-58.1-179.1-3.500113.5S9 F10S9-Q12 WeakPolarHBondContact O-CB 3.43Å; S9-Q12 WeakPolarHBondContact O-CG 3.41Å; S9-Q12 PolarHBondContact O-N 2.74Å; F10-Q12 PolarHBondContact O-N 3.39Å
13K96.5Very high93Very high46 Ų4660.7 Ų60.720%0.232%0.315CS..G310 helixtrans-92.4-14.9178.1-47.7-60.3-177.1162.50113F10 L11 P15 T16 L17 I39 E42 Y46F10-K13 HydrophobicContact CD2-CG 4.49Å; F10-K13 WeakPolarHBondContact O-CB 3.29Å; F10-K13 PolarHBondContact O-N 2.98Å; L11-K13 PolarHBondContact O-N 3.43Å; K13-P15 VanDerWaalsContact C-CD 3.48Å; K13-T16 WeakPolarHBondContact O-CB 3.2Å; K13-T16 PolarHBondContact O-N 3.45Å; K13-T16 VanDerWaalsContact O-N 3.12Å; K13-L17 HydrophobicContact CB-CD1 4.45Å; K13-L17 WeakPolarHBondContact O-CG 3.31Å; K13-L17 PolarHBondContact O-N 2.78Å; K13-L17 VanDerWaalsContact O-N 3.14Å; K13-I39 HydrophobicContact CB-CD1 3.98Å; K13-I39 HydrophobicContact CD-CD1 4.11Å; K13-I39 HydrophobicContact CD-CG1 4.02Å; K13-I39 HydrophobicContact CG-CD1 4.17Å; K13-I39 HydrophobicContact CG-CG1 4.19Å; K13-I39 HydrophobicContact CG-CG2 4.49Å; K13-E42 WeakPolarHBondContact CE-OE1 3.43Å; K13-E42 WeakPolarHBondContact CE-OE2 3.21Å; K13-E42 IonicContact NZ-OE1 3.83Å; K13-E42 PolarHBondContact NZ-OE1 2.91Å; K13-E42 IonicContact NZ-OE2 3.01Å; K13-E42 PolarHBondContact NZ-OE2 3.46Å; K13-Y46 HydrophobicContact CG-CE1 4.27Å
14I96.1Very high93.6Very high27 Ų2760.7 Ų60.714%0.13831%0.308CS..Hα-helixtrans-54.7-41.8-178.5-65.4174.3000112.6L11 T16 L17 M18 F610 L613L11-I14 HydrophobicContact CB-CD1 4.28Å; L11-I14 HydrophobicContact CD2-CD1 3.64Å; L11-I14 WeakPolarHBondContact O-CB 3.26Å; L11-I14 PolarHBondContact O-N 2.87Å; L11-I14 VanDerWaalsContact O-N 3.16Å; I14-T16 VanDerWaalsContact C-N 3.32Å; I14-T16 PolarHBondContact O-N 3.18Å; I14-L17 PolarHBondContact O-N 3.17Å; I14-L17 VanDerWaalsContact O-N 3.12Å; I14-M18 HydrophobicContact CG2-CG 3.72Å; I14-M18 WeakPolarHBondContact O-CB 3.33Å; I14-M18 VanDerWaalsContact O-CG 3.25Å; I14-M18 WeakPolarHBondContact O-CG 3.45Å; I14-M18 PolarHBondContact O-N 3.05Å; I14-F610 HydrophobicContact CD1-CD1 4.1Å; I14-F610 HydrophobicContact CD1-CE1 3.78Å; I14-F610 HydrophobicContact CG1-CE1 4.16Å; I14-L613 HydrophobicContact CG2-CD1 4.15Å
15P96.3Very high94.1Very high92 Ų9259.2 Ų59.260%0.59730%0.303SS*.Hα-helixtrans-60.2-38.1178-2636.3000113.7K13 K19K13-P15 VanDerWaalsContact C-CD 3.48Å; P15-K19 WeakPolarHBondContact O-CB 3.35Å; P15-K19 PolarHBondContact O-N 2.97Å
16T96.8Very high94.5Very high37 Ų3757 Ų5723%0.22730%0.298CS..Hα-helixtrans-64.6-42.8174.2-58.10000111.2K13 I14 K19 A20 L32 E35K13-T16 WeakPolarHBondContact O-CB 3.2Å; K13-T16 PolarHBondContact O-N 3.45Å; K13-T16 VanDerWaalsContact O-N 3.12Å; I14-T16 VanDerWaalsContact C-N 3.32Å; I14-T16 PolarHBondContact O-N 3.18Å; T16-K19 PolarHBondContact O-N 3.15Å; T16-A20 WeakPolarHBondContact O-CB 3.31Å; T16-A20 PolarHBondContact O-N 3.29Å; T16-L32 HydrophobicContact CG2-CD2 3.68Å; T16-E35 HydrophobicContact CG2-CB 4.34Å; T16-E35 VanDerWaalsContact CG2-OE2 3.28Å; T16-E35 WeakPolarHBondContact CG2-OE2 3.41Å
17L97.9Very high94.9Very high0 Ų059.7 Ų59.70%032%0.319CS..Hα-helixtrans-71.7-38.7-179.2-65170.9000112.9F10 K13 I14 A20 T21 I36 L50 Y53F10-L17 HydrophobicContact CE1-CD1 3.94Å; F10-L17 HydrophobicContact CE2-CD1 4.23Å; F10-L17 HydrophobicContact CZ-CD1 3.42Å; F10-L17 VanDerWaalsContact CZ-CD1 3.42Å; K13-L17 HydrophobicContact CB-CD1 4.45Å; K13-L17 WeakPolarHBondContact O-CG 3.31Å; K13-L17 PolarHBondContact O-N 2.78Å; K13-L17 VanDerWaalsContact O-N 3.14Å; I14-L17 PolarHBondContact O-N 3.17Å; I14-L17 VanDerWaalsContact O-N 3.12Å; L17-A20 PolarHBondContact O-N 3.04Å; L17-T21 PolarHBondContact O-N 3.13Å; L17-T21 PolarHBondContact O-OG1 3.12Å; L17-I36 HydrophobicContact CD2-CD1 3.91Å; L17-I36 HydrophobicContact CD2-CG1 3.73Å; L17-L50 HydrophobicContact CD1-CD1 4.15Å; L17-L50 HydrophobicContact CD2-CD1 3.5Å; L17-L50 VanDerWaalsContact CD2-CD1 3.5Å; L17-Y53 HydrophobicContact CB-CD1 4.12Å; L17-Y53 HydrophobicContact CB-CE1 3.55Å; L17-Y53 HydrophobicContact CB-CE2 4.27Å; L17-Y53 HydrophobicContact CD1-CD1 4.16Å; L17-Y53 HydrophobicContact CD1-CE1 4.43Å; L17-Y53 HydrophobicContact CD1-CG 4.31Å; L17-Y53 HydrophobicContact CG-CE1 4.41Å; L17-Y53 PolarHBondContact O-OH 3.46Å
18M97.5Very high95.4Very high55 Ų5557.9 Ų57.927%0.27131%0.314SS..Hα-helixtrans-61.8-44.7172.3-71.1-98.384.400110.3I14 A20 T21 A22 Y53 L613I14-M18 HydrophobicContact CG2-CG 3.72Å; I14-M18 WeakPolarHBondContact O-CB 3.33Å; I14-M18 VanDerWaalsContact O-CG 3.25Å; I14-M18 WeakPolarHBondContact O-CG 3.45Å; I14-M18 PolarHBondContact O-N 3.05Å; M18-A20 VanDerWaalsContact C-N 3.29Å; M18-A20 PolarHBondContact O-N 2.88Å; M18-T21 CarbonylContact O-C 3.53Å; M18-T21 PolarHBondContact O-N 3.11Å; M18-A22 WeakPolarHBondContact O-CA 3.26Å; M18-A22 WeakPolarHBondContact O-CB 3.43Å; M18-A22 PolarHBondContact O-N 3.39Å; M18-Y53 WeakPolarHBondContact CA-OH 3.34Å; M18-Y53 HydrophobicContact CE-CE2 4.19Å; M18-Y53 WeakPolarHBondContact CE-OH 3.43Å; M18-Y53 PolarHBondContact N-OH 2.93Å; M18-L613 HydrophobicContact SD-CD1 4.48Å; M18-L613 HydrophobicContact SD-CD2 4.14Å
19K97.9Very high96Very high117 Ų11756.3 Ų56.351%0.50931%0.309SS..Hα-helixtrans-61.6-35.2173.6-167.4-179.2-174.1-176.20112.8P15 T16 Y31 L32P15-K19 WeakPolarHBondContact O-CB 3.35Å; P15-K19 PolarHBondContact O-N 2.97Å; T16-K19 PolarHBondContact O-N 3.15Å; K19-Y31 PolarHBondContact NZ-OH 3.37Å; K19-L32 HydrophobicContact CB-CD1 4.36Å; K19-L32 HydrophobicContact CD-CD1 4.3Å; K19-L32 HydrophobicContact CG-CD1 4.09Å
20A98.1Very high96.4Very high0 Ų057.4 Ų57.40%033%0.326CS..Hα-helixtrans-75.8-25.417900000113.8T16 L17 M18 L32 I36 I72T16-A20 WeakPolarHBondContact O-CB 3.31Å; T16-A20 PolarHBondContact O-N 3.29Å; L17-A20 PolarHBondContact O-N 3.04Å; M18-A20 VanDerWaalsContact C-N 3.29Å; M18-A20 PolarHBondContact O-N 2.88Å; A20-L32 HydrophobicContact CB-CB 4.21Å; A20-L32 HydrophobicContact CB-CD1 3.96Å; A20-I36 HydrophobicContact CB-CD1 3.63Å; A20-I72 HydrophobicContact CB-CD1 4.02Å
21T98.3Very high96.6Very high0 Ų062.4 Ų62.40%035%0.346CS..THydrogen-bonded Turntrans-118.521.3-17868.80000113.4L17 M18 Y53 L54 R57 V69 I72L17-T21 PolarHBondContact O-N 3.13Å; L17-T21 PolarHBondContact O-OG1 3.12Å; M18-T21 CarbonylContact O-C 3.53Å; M18-T21 PolarHBondContact O-N 3.11Å; T21-Y53 HydrophobicContact CG2-CE1 4.21Å; T21-Y53 PolarHBondContact OG1-OH 3.08Å; T21-L54 HydrophobicContact CG2-CD2 4.11Å; T21-R57 PolarHBondContact O-NH2 2.94Å; T21-R57 PolarHBondContact OG1-NE 3.11Å; T21-V69 HydrophobicContact CG2-CG2 3.67Å; T21-I72 HydrophobicContact CG2-CD1 3.77Å
22A97.9Very high96.9Very high30 Ų3059.1 Ų59.125%0.24833%0.328CS..  trans-60.8147.2-178.700000111.6M18 D24 K68M18-A22 WeakPolarHBondContact O-CA 3.26Å; M18-A22 WeakPolarHBondContact O-CB 3.43Å; M18-A22 PolarHBondContact O-N 3.39Å; A22-D24 WeakPolarHBondContact CB-OD2 3.29Å; A22-D24 PolarHBondContact O-N 3.45Å; A22-K68 VanDerWaalsContact O-CD 3.27Å; A22-K68 WeakPolarHBondContact O-CD 3.33Å; A22-K68 WeakPolarHBondContact O-CE 3.41Å; A22-K68 PolarHBondContact O-NZ 2.97Å
23D97.4Very high97Very high92 Ų9253.4 Ų53.449%0.49230%0.301SS..SBendtrans-90.782.1-173.5-154.5-11000111.2S62 H64 V65D23-S62 VanDerWaalsContact CG-OG 3.26Å; D23-S62 VanDerWaalsContact OD1-CB 3.3Å; D23-S62 WeakPolarHBondContact OD1-CB 3.32Å; D23-S62 PolarHBondContact OD1-OG 3.15Å; D23-S62 WeakPolarHBondContact OD2-CB 3.34Å; D23-S62 PolarHBondContact OD2-OG 3.27Å; D23-H64 IonicContact OD1-CD2 2.93Å; D23-V65 HydrophobicContact CB-CG2 3.63Å; D23-V65 WeakPolarHBondContact OD2-CG2 3.5Å
24D95.5Very high97.1Very high51 Ų5156.9 Ų56.927%0.27332%0.318SS..SBendtrans-162.6161.4-173.265.380.7000110.7A22 T26 K68A22-D24 WeakPolarHBondContact CB-OD2 3.29Å; A22-D24 PolarHBondContact O-N 3.45Å; D24-T26 PolarHBondContact O-N 3.25Å; D24-T26 VanDerWaalsContact OD1-CA 3.3Å; D24-T26 WeakPolarHBondContact OD1-CA 3.46Å; D24-T26 WeakPolarHBondContact OD1-CB 3.32Å; D24-T26 WeakPolarHBondContact OD1-CG2 3.46Å; D24-T26 PolarHBondContact OD1-N 2.66Å; D24-T26 PolarHBondContact OD1-OG1 2.91Å; D24-K68 WeakPolarHBondContact O-CE 3.31Å; D24-K68 PolarHBondContact O-NZ 2.78Å; D24-K68 IonicContact OD1-NZ 3.76Å; D24-K68 PolarHBondContact OD1-NZ 3.29Å; D24-K68 IonicContact OD2-NZ 3.27Å; D24-K68 PolarHBondContact OD2-NZ 2.97Å
25E93.1Very high97.1Very high116 Ų11659 Ų5954%0.54233%0.327SS..SBendtrans-72.2-9.7-179.9-68.9-74.1-152.600115H64E25-H64 IonicContact OE1-CE1 2.73Å; E25-H64 PolarHBondContact OE1-CE1 3.18Å; E25-H64 VanDerWaalsContact OE1-CE1 3.26Å; E25-H64 IonicContact OE1-ND1 3.15Å; E25-H64 IonicContact OE2-CE1 3.35Å; E25-H64 PolarHBondContact OE2-CE1 3.26Å; E25-H64 IonicContact OE2-ND1 3.82Å; E25-H64 PolarHBondContact OE2-ND1 2.92Å
26T96.1Very high97.2Very high90 Ų9054.6 Ų54.655%0.55230%0.299SS*.SBendtrans-73.1130-178.579.30000110.2D24 C28 K68D24-T26 PolarHBondContact O-N 3.25Å; D24-T26 VanDerWaalsContact OD1-CA 3.3Å; D24-T26 WeakPolarHBondContact OD1-CA 3.46Å; D24-T26 WeakPolarHBondContact OD1-CB 3.32Å; D24-T26 WeakPolarHBondContact OD1-CG2 3.46Å; D24-T26 PolarHBondContact OD1-N 2.66Å; D24-T26 PolarHBondContact OD1-OG1 2.91Å; T26-C28 PolarHBondContact O-N 2.88Å; T26-K68 WeakPolarHBondContact O-CE 3.44Å; T26-K68 PolarHBondContact O-NZ 3.03Å
27P95.6Very high97.3Very high105 Ų10553.2 Ų53.268%0.68229%0.292SS*.PPolyproline II helixtrans-67138.8179.727.5-34.2000110.2P29P27-P29 VanDerWaalsContact O-CD 3.27Å; P27-P29 WeakPolarHBondContact O-CD 3.25Å; P27-P29 VanDerWaalsContact O-N 3.15Å
28C97.6Very high97.2Very high17 Ų1758.9 Ų58.912%0.11532%0.317CS..PPolyproline II helixtrans-49.4120.5176.2178.40000110.7T26 G30 F33 K68T26-C28 PolarHBondContact O-N 2.88Å; C28-G30 PolarHBondContact O-N 3.07Å; C28-F33 HydrophobicContact CB-CE2 3.91Å; C28-F33 HydrophobicContact CB-CZ 3.85Å; C28-F33 WeakPolarHBondContact O-CE2 3.26Å; C28-K68 HydrophobicContact CB-CG 4.48Å
29P97.4Very high97.2Very high46 Ų4656.6 Ų56.630%0.29931%0.306SS..PPolyproline II helixtrans-55.9132.2-179.1-31.535.3000113.8P27 Y31 L32P27-P29 VanDerWaalsContact O-CD 3.27Å; P27-P29 WeakPolarHBondContact O-CD 3.25Å; P27-P29 VanDerWaalsContact O-N 3.15Å; P29-Y31 HydrophobicContact CB-CD1 3.72Å; P29-Y31 HydrophobicContact CB-CE1 3.42Å; P29-Y31 VanDerWaalsContact CB-CE1 3.42Å; P29-Y31 HydrophobicContact CG-CE1 4.3Å; P29-Y31 PolarHBondContact O-N 2.92Å; P29-L32 HydrophobicContact CB-CD1 4.2Å; P29-L32 HydrophobicContact CB-CG 4.35Å; P29-L32 HydrophobicContact CG-CD1 4.15Å; P29-L32 WeakPolarHBondContact O-CB 3.39Å; P29-L32 PolarHBondContact O-N 3.29Å
30G96.8Very high97.1Very high59 Ų5951 Ų5161%0.60828%0.281SS*.Hα-helixtrans-51.8-32.2-171.600000115.9C28 L32C28-G30 PolarHBondContact O-N 3.07Å; G30-L32 PolarHBondContact O-N 3.27Å
31Y98.1Very high97Very high107 Ų10756.5 Ų56.542%0.4231%0.307SS..Hα-helixtrans-69.9-29179.174.9-92.1000113.3K19 P29 F33 Q34 E35K19-Y31 PolarHBondContact NZ-OH 3.37Å; P29-Y31 HydrophobicContact CB-CD1 3.72Å; P29-Y31 HydrophobicContact CB-CE1 3.42Å; P29-Y31 VanDerWaalsContact CB-CE1 3.42Å; P29-Y31 HydrophobicContact CG-CE1 4.3Å; P29-Y31 PolarHBondContact O-N 2.92Å; Y31-F33 VanDerWaalsContact C-N 3.31Å; Y31-F33 PolarHBondContact O-N 2.71Å; Y31-Q34 PolarHBondContact O-N 3.27Å; Y31-Q34 VanDerWaalsContact O-N 3.15Å; Y31-E35 WeakPolarHBondContact CD2-OE1 3.44Å; Y31-E35 PolarHBondContact O-N 3.38Å
32L98.4Very high96.9Very high2 Ų261.1 Ų61.11%0.0133%0.328CS..Hα-helixtrans-65.9-33.9-179.7-65.9174.7000111.7T16 K19 A20 P29 G30 Q34 E35 I36T16-L32 HydrophobicContact CG2-CD2 3.68Å; K19-L32 HydrophobicContact CB-CD1 4.36Å; K19-L32 HydrophobicContact CD-CD1 4.3Å; K19-L32 HydrophobicContact CG-CD1 4.09Å; A20-L32 HydrophobicContact CB-CB 4.21Å; A20-L32 HydrophobicContact CB-CD1 3.96Å; P29-L32 HydrophobicContact CB-CD1 4.2Å; P29-L32 HydrophobicContact CB-CG 4.35Å; P29-L32 HydrophobicContact CG-CD1 4.15Å; P29-L32 WeakPolarHBondContact O-CB 3.39Å; P29-L32 PolarHBondContact O-N 3.29Å; G30-L32 PolarHBondContact O-N 3.27Å; L32-Q34 VanDerWaalsContact C-N 3.31Å; L32-Q34 PolarHBondContact O-N 2.78Å; L32-E35 PolarHBondContact O-N 2.98Å; L32-I36 WeakPolarHBondContact O-CB 3.48Å; L32-I36 WeakPolarHBondContact O-CG1 3.48Å; L32-I36 PolarHBondContact O-N 3.4Å
33F98.3Very high96.7Very high33 Ų3361.2 Ų61.215%0.14533%0.327CS..Hα-helixtrans-57.5-46.1172.7-66.6-82.6000111.2C28 Y31 E35 I36 G37 K71 I72 H75C28-F33 HydrophobicContact CB-CE2 3.91Å; C28-F33 HydrophobicContact CB-CZ 3.85Å; C28-F33 WeakPolarHBondContact O-CE2 3.26Å; Y31-F33 VanDerWaalsContact C-N 3.31Å; Y31-F33 PolarHBondContact O-N 2.71Å; F33-E35 PolarHBondContact O-N 3.42Å; F33-I36 PolarHBondContact O-N 3.43Å; F33-G37 PolarHBondContact O-N 3.05Å; F33-K71 HydrophobicContact CE1-CB 4.07Å; F33-K71 HydrophobicContact CZ-CB 4.21Å; F33-I72 HydrophobicContact CD1-CG1 4.07Å; F33-I72 HydrophobicContact CE1-CB 4.47Å; F33-I72 HydrophobicContact CE1-CG1 3.75Å; F33-H75 HydrophobicContact CB-CB 4.43Å; F33-H75 HydrophobicContact CD1-CB 3.76Å; F33-H75 HydrophobicContact CG-CB 4.48Å; F33-H75 PolarHBondContact O-CD2 2.93Å; F33-H75 VanDerWaalsContact O-CD2 3.3Å; F33-H75 PolarHBondContact O-NE2 3.09Å; F33-H75 VanDerWaalsContact O-NE2 3.17Å
34Q97.3Very high96.4Very high119 Ų11959.4 Ų59.456%0.55632%0.321SS*.Hα-helixtrans-68.5-33.7178.2-156.4-160.253.800112.5Y31 L32 K38Y31-Q34 PolarHBondContact O-N 3.27Å; Y31-Q34 VanDerWaalsContact O-N 3.15Å; L32-Q34 VanDerWaalsContact C-N 3.31Å; L32-Q34 PolarHBondContact O-N 2.78Å; Q34-K38 WeakPolarHBondContact O-CD 3.38Å; Q34-K38 VanDerWaalsContact O-CG 3.28Å; Q34-K38 WeakPolarHBondContact O-CG 3.43Å; Q34-K38 PolarHBondContact O-N 2.82Å; Q34-K38 VanDerWaalsContact O-N 3.13Å
35E97.9Very high96.2Very high70 Ų7057 Ų5733%0.32731%0.309SS..Hα-helixtrans-66.1-41.1171.9-71.8179.9-174.300111.8T16 Y31 L32 F33 K38 I39T16-E35 HydrophobicContact CG2-CB 4.34Å; T16-E35 VanDerWaalsContact CG2-OE2 3.28Å; T16-E35 WeakPolarHBondContact CG2-OE2 3.41Å; Y31-E35 WeakPolarHBondContact CD2-OE1 3.44Å; Y31-E35 PolarHBondContact O-N 3.38Å; L32-E35 PolarHBondContact O-N 2.98Å; F33-E35 PolarHBondContact O-N 3.42Å; E35-K38 WeakPolarHBondContact O-CB 3.26Å; E35-K38 PolarHBondContact O-N 3.34Å; E35-I39 WeakPolarHBondContact O-CG1 3.39Å; E35-I39 PolarHBondContact O-N 3.02Å
36I98.3Very high96.3Very high0 Ų052.4 Ų52.40%029%0.287CS..Hα-helixtrans-68-38.2176.9-66.4168.1000111.3L17 A20 L32 F33 K38 I39 C40 L50 I72 L76L17-I36 HydrophobicContact CD2-CD1 3.91Å; L17-I36 HydrophobicContact CD2-CG1 3.73Å; A20-I36 HydrophobicContact CB-CD1 3.63Å; L32-I36 WeakPolarHBondContact O-CB 3.48Å; L32-I36 WeakPolarHBondContact O-CG1 3.48Å; L32-I36 PolarHBondContact O-N 3.4Å; F33-I36 PolarHBondContact O-N 3.43Å; I36-K38 VanDerWaalsContact C-N 3.29Å; I36-K38 PolarHBondContact O-N 3.46Å; I36-I39 PolarHBondContact O-N 3.4Å; I36-C40 WeakPolarHBondContact O-CB 3.5Å; I36-C40 PolarHBondContact O-N 3.37Å; I36-L50 HydrophobicContact CG2-CD1 3.92Å; I36-L50 HydrophobicContact CG2-CD2 3.81Å; I36-L50 HydrophobicContact CG2-CG 4.46Å; I36-I72 HydrophobicContact CD1-CD1 3.95Å; I36-I72 HydrophobicContact CD1-CG1 4.22Å; I36-I72 HydrophobicContact CD1-CG2 4.25Å; I36-I72 HydrophobicContact CG2-CG2 3.86Å; I36-L76 HydrophobicContact CG2-CD1 4Å; I36-L76 HydrophobicContact CG2-CD2 4.3Å; I36-L76 HydrophobicContact CG2-CG 4.47Å
37G97.3Very high96.2Very high8 Ų848.1 Ų48.18%0.08226%0.261CS..Hα-helixtrans-60.3-35170.400000113.4F33 H41F33-G37 PolarHBondContact O-N 3.05Å; G37-H41 PolarHBondContact O-ND1 3.2Å
38K97.4Very high96.1Very high119 Ų11945 Ų4552%0.51724%0.237SC..Hα-helixtrans-70.4-45.6172.3-67.8162-166.6163.40111.6Q34 E35 I36 C40 H41 E42Q34-K38 WeakPolarHBondContact O-CD 3.38Å; Q34-K38 VanDerWaalsContact O-CG 3.28Å; Q34-K38 WeakPolarHBondContact O-CG 3.43Å; Q34-K38 PolarHBondContact O-N 2.82Å; Q34-K38 VanDerWaalsContact O-N 3.13Å; E35-K38 WeakPolarHBondContact O-CB 3.26Å; E35-K38 PolarHBondContact O-N 3.34Å; I36-K38 VanDerWaalsContact C-N 3.29Å; I36-K38 PolarHBondContact O-N 3.46Å; K38-C40 VanDerWaalsContact C-N 3.27Å; K38-C40 PolarHBondContact O-N 2.9Å; K38-H41 CarbonylContact O-C 3.58Å; K38-H41 WeakPolarHBondContact O-CA 3.46Å; K38-H41 PolarHBondContact O-N 3.46Å; K38-E42 PolarHBondContact O-N 3.25Å; K38-E42 VanDerWaalsContact O-N 3.07Å
39I96.8Very high96Very high8 Ų844.1 Ų44.14%0.04123%0.231CC..Hα-helixtrans-56.8-41.7175.7-69.4160.8000110.8F10 K13 E35 I36 H41 E42 Y46 L50F10-I39 HydrophobicContact CD2-CG2 4.38Å; F10-I39 HydrophobicContact CE2-CG2 3.83Å; K13-I39 HydrophobicContact CB-CD1 3.98Å; K13-I39 HydrophobicContact CD-CD1 4.11Å; K13-I39 HydrophobicContact CD-CG1 4.02Å; K13-I39 HydrophobicContact CG-CD1 4.17Å; K13-I39 HydrophobicContact CG-CG1 4.19Å; K13-I39 HydrophobicContact CG-CG2 4.49Å; E35-I39 WeakPolarHBondContact O-CG1 3.39Å; E35-I39 PolarHBondContact O-N 3.02Å; I36-I39 PolarHBondContact O-N 3.4Å; I39-H41 PolarHBondContact O-N 3.38Å; I39-H41 VanDerWaalsContact O-N 3.12Å; I39-E42 WeakPolarHBondContact O-CB 3.34Å; I39-E42 PolarHBondContact O-N 3Å; I39-E42 VanDerWaalsContact O-N 3.17Å; I39-Y46 HydrophobicContact CG2-CD1 4.27Å; I39-Y46 WeakPolarHBondContact O-CB 3.42Å; I39-L50 HydrophobicContact CG2-CD2 4.4Å
40C96.7Very high96Very high0 Ų042 Ų420%022%0.217CC..Hα-helixtrans-62-16.4176.6-166.20000114.5I36 K38 L50 L76 G80 S81 F84I36-C40 WeakPolarHBondContact O-CB 3.5Å; I36-C40 PolarHBondContact O-N 3.37Å; K38-C40 VanDerWaalsContact C-N 3.27Å; K38-C40 PolarHBondContact O-N 2.9Å; C40-L50 HydrophobicContact CB-CD2 3.77Å; C40-L76 HydrophobicContact CB-CD2 3.87Å; C40-G80 VanDerWaalsContact SG-CA 3.55Å; C40-S81 WeakPolarHBondContact O-CB 3.41Å; C40-S81 PolarHBondContact O-OG 3.44Å; C40-S81 PolarHBondContact SG-N 2.8Å; C40-F84 WeakPolarHBondContact SG-CB 3.38Å; C40-F84 WeakPolarHBondContact SG-CG 3.23Å
41H95.9Very high96.1Very high115 Ų11539.6 Ų39.653%0.53219%0.19SC..Hα-helixtrans-111.1-5.5179-76.798.4000114G37 K38 I39 H79 S81G37-H41 PolarHBondContact O-ND1 3.2Å; K38-H41 CarbonylContact O-C 3.58Å; K38-H41 WeakPolarHBondContact O-CA 3.46Å; K38-H41 PolarHBondContact O-N 3.46Å; I39-H41 PolarHBondContact O-N 3.38Å; I39-H41 VanDerWaalsContact O-N 3.12Å; H41-H79 PolarHBondContact CE1-O 2.86Å; H41-H79 VanDerWaalsContact CE1-O 3.23Å; H41-S81 PolarHBondContact CE1-N 3.24Å
42E95.3Very high96Very high97 Ų9736.6 Ų36.645%0.45318%0.18SC..Hα-helixtrans-70.6-36.3-175.5-162.8165.9-173.800111.6K13 K38 I39 Y46K13-E42 WeakPolarHBondContact CE-OE1 3.43Å; K13-E42 WeakPolarHBondContact CE-OE2 3.21Å; K13-E42 IonicContact NZ-OE1 3.83Å; K13-E42 PolarHBondContact NZ-OE1 2.91Å; K13-E42 IonicContact NZ-OE2 3.01Å; K13-E42 PolarHBondContact NZ-OE2 3.46Å; K38-E42 PolarHBondContact O-N 3.25Å; K38-E42 VanDerWaalsContact O-N 3.07Å; I39-E42 WeakPolarHBondContact O-CB 3.34Å; I39-E42 PolarHBondContact O-N 3Å; I39-E42 VanDerWaalsContact O-N 3.17Å; E42-Y46 HydrophobicContact CB-CD1 3.7Å; E42-Y46 HydrophobicContact CB-CE1 4.24Å; E42-Y46 HydrophobicContact CB-CG 4.24Å; E42-Y46 VanDerWaalsContact CD-CE1 3.41Å; E42-Y46 HydrophobicContact CG-CD1 3.87Å; E42-Y46 HydrophobicContact CG-CE1 3.88Å; E42-Y46 WeakPolarHBondContact OE2-CD1 3.45Å; E42-Y46 VanDerWaalsContact OE2-CE1 3.29Å; E42-Y46 WeakPolarHBondContact OE2-CE1 3.36Å
43S93.2Very high96Very high32 Ų3236.7 Ų36.722%0.22418%0.181CC..  trans-161170.7161.787.70000111.8E6 G45 Y46 G47E6-S43 VanDerWaalsContact OE1-CB 3.27Å; E6-S43 WeakPolarHBondContact OE1-CB 3.25Å; E6-S43 PolarHBondContact OE1-OG 3.4Å; S43-G45 VanDerWaalsContact C-N 3.35Å; S43-G45 PolarHBondContact OG-N 3.47Å; S43-G45 VanDerWaalsContact OG-N 3.11Å; S43-Y46 PolarHBondContact O-N 3.05Å; S43-Y46 WeakPolarHBondContact OG-CD2 3.32Å; S43-Y46 PolarHBondContact OG-N 3.28Å; S43-G47 PolarHBondContact O-N 3.3Å; S43-G47 VanDerWaalsContact O-N 3.07Å
44S91.3Very high96Very high53 Ų5335.1 Ų35.137%0.37117%0.174SC..Hα-helixtrans-65.1-37.1170.6179.10000112.3G47 Q48 H83S44-G47 PolarHBondContact O-N 3.03Å; S44-Q48 WeakPolarHBondContact O-CG 3.4Å; S44-Q48 PolarHBondContact O-N 3.13Å; S44-Q48 VanDerWaalsContact O-N 3.1Å; S44-Q48 PolarHBondContact O-NE2 3.14Å; S44-Q48 PolarHBondContact OG-NE2 3.01Å; S44-Q48 VanDerWaalsContact OG-NE2 3.12Å; S44-H83 PolarHBondContact OG-CE1 3.46Å; S44-H83 PolarHBondContact OG-NE2 3.38Å
45G91.2Very high96.1Very high1 Ų130 Ų301%0.0115%0.15CC..Hα-helixtrans-65.9-37.3173.900000112.6E6 S43 Q48 C49E6-G45 WeakPolarHBondContact OE1-CA 3.28Å; E6-G45 PolarHBondContact OE1-N 3.4Å; E6-G45 WeakPolarHBondContact OE2-CA 3.36Å; S43-G45 VanDerWaalsContact C-N 3.35Å; S43-G45 PolarHBondContact OG-N 3.47Å; S43-G45 VanDerWaalsContact OG-N 3.11Å; G45-Q48 WeakPolarHBondContact O-CB 3.47Å; G45-Q48 PolarHBondContact O-N 3.36Å; G45-Q48 VanDerWaalsContact O-N 3.14Å; G45-C49 PolarHBondContact O-N 3.37Å; G45-C49 PolarHBondContact O-SG 3.17Å
46Y94.9Very high96.1Very high19 Ų1928.7 Ų28.78%0.07514%0.144CC..Hα-helixtrans-64.4-41174.4-86.8-134000111.8E6 S9 F10 K13 I39 E42 S43 Q48 C49 L50E6-Y46 HydrophobicContact CB-CD2 4.2Å; E6-Y46 HydrophobicContact CB-CE2 4.19Å; E6-Y46 WeakPolarHBondContact O-CE2 3.43Å; S9-Y46 VanDerWaalsContact C-OH 3.25Å; S9-Y46 WeakPolarHBondContact CB-OH 3.49Å; S9-Y46 PolarHBondContact O-OH 3.08Å; S9-Y46 WeakPolarHBondContact OG-CE2 3.34Å; S9-Y46 PolarHBondContact OG-OH 3.12Å; F10-Y46 HydrophobicContact CB-CD2 4.5Å; F10-Y46 HydrophobicContact CB-CE2 4.3Å; F10-Y46 HydrophobicContact CD2-CD1 4.04Å; F10-Y46 HydrophobicContact CD2-CE1 4.5Å; F10-Y46 HydrophobicContact CD2-CG 4.08Å; K13-Y46 HydrophobicContact CG-CE1 4.27Å; I39-Y46 HydrophobicContact CG2-CD1 4.27Å; I39-Y46 WeakPolarHBondContact O-CB 3.42Å; E42-Y46 HydrophobicContact CB-CD1 3.7Å; E42-Y46 HydrophobicContact CB-CE1 4.24Å; E42-Y46 HydrophobicContact CB-CG 4.24Å; E42-Y46 VanDerWaalsContact CD-CE1 3.41Å; E42-Y46 HydrophobicContact CG-CD1 3.87Å; E42-Y46 HydrophobicContact CG-CE1 3.88Å; E42-Y46 WeakPolarHBondContact OE2-CD1 3.45Å; E42-Y46 VanDerWaalsContact OE2-CE1 3.29Å; E42-Y46 WeakPolarHBondContact OE2-CE1 3.36Å; S43-Y46 PolarHBondContact O-N 3.05Å; S43-Y46 WeakPolarHBondContact OG-CD2 3.32Å; S43-Y46 PolarHBondContact OG-N 3.28Å; Y46-Q48 VanDerWaalsContact C-N 3.29Å; Y46-Q48 PolarHBondContact O-N 3.26Å; Y46-C49 PolarHBondContact O-N 3.21Å; Y46-L50 WeakPolarHBondContact O-CB 3.36Å; Y46-L50 PolarHBondContact O-N 2.97Å
47G95.2Very high96.1Very high1 Ų129.9 Ų29.91%0.0115%0.149CC..Hα-helixtrans-57.8-40.7170.600000112.5S43 S44 L51 F84S43-G47 PolarHBondContact O-N 3.3Å; S43-G47 VanDerWaalsContact O-N 3.07Å; S44-G47 PolarHBondContact O-N 3.03Å; G47-L51 WeakPolarHBondContact O-CB 3.38Å; G47-L51 PolarHBondContact O-N 2.9Å; G47-F84 WeakPolarHBondContact O-CD2 3.15Å
48Q94.1Very high96.1Very high38 Ų3829.8 Ų29.818%0.17815%0.146CC..Hα-helixtrans-68.5-45.5177.3-70.4162.568.100112.4A2 S44 G45 Y46 L50 L51 E52A2-Q48 HydrophobicContact CB-CB 4.48Å; S44-Q48 WeakPolarHBondContact O-CG 3.4Å; S44-Q48 PolarHBondContact O-N 3.13Å; S44-Q48 VanDerWaalsContact O-N 3.1Å; S44-Q48 PolarHBondContact O-NE2 3.14Å; S44-Q48 PolarHBondContact OG-NE2 3.01Å; S44-Q48 VanDerWaalsContact OG-NE2 3.12Å; G45-Q48 WeakPolarHBondContact O-CB 3.47Å; G45-Q48 PolarHBondContact O-N 3.36Å; G45-Q48 VanDerWaalsContact O-N 3.14Å; Y46-Q48 VanDerWaalsContact C-N 3.29Å; Y46-Q48 PolarHBondContact O-N 3.26Å; Q48-L50 VanDerWaalsContact C-N 3.31Å; Q48-L50 PolarHBondContact O-N 3.3Å; Q48-L51 PolarHBondContact O-N 3.48Å; Q48-E52 WeakPolarHBondContact O-CB 3.49Å; Q48-E52 PolarHBondContact O-N 2.98Å
49C94.3Very high96.1Very high0 Ų029 Ų290%014%0.144CC..Hα-helixtrans-64.7-35.5177.1-58.20000112.2R7 F10 G45 Y46 Y53R7-C49 WeakPolarHBondContact CG-SG 3.31Å; F10-C49 HydrophobicContact CB-CB 4.18Å; F10-C49 HydrophobicContact CD1-CB 3.55Å; F10-C49 HydrophobicContact CD2-CB 3.64Å; F10-C49 HydrophobicContact CE1-CB 3.73Å; F10-C49 HydrophobicContact CE2-CB 3.81Å; F10-C49 HydrophobicContact CG-CB 3.5Å; F10-C49 HydrophobicContact CZ-CB 3.85Å; G45-C49 PolarHBondContact O-N 3.37Å; G45-C49 PolarHBondContact O-SG 3.17Å; Y46-C49 PolarHBondContact O-N 3.21Å; C49-Y53 WeakPolarHBondContact O-CB 3.48Å; C49-Y53 PolarHBondContact O-N 3.1Å
50L98.2Very high96.1Very high0 Ų030 Ų300%015%0.151CC..Hα-helixtrans-65-41.2173.4178.262.5000111.8F10 L17 I36 I39 C40 Y46 Q48 L54 L76 F84F10-L50 HydrophobicContact CE2-CB 4.01Å; F10-L50 HydrophobicContact CZ-CB 4.16Å; L17-L50 HydrophobicContact CD1-CD1 4.15Å; L17-L50 HydrophobicContact CD2-CD1 3.5Å; L17-L50 VanDerWaalsContact CD2-CD1 3.5Å; I36-L50 HydrophobicContact CG2-CD1 3.92Å; I36-L50 HydrophobicContact CG2-CD2 3.81Å; I36-L50 HydrophobicContact CG2-CG 4.46Å; I39-L50 HydrophobicContact CG2-CD2 4.4Å; C40-L50 HydrophobicContact CB-CD2 3.77Å; Y46-L50 WeakPolarHBondContact O-CB 3.36Å; Y46-L50 PolarHBondContact O-N 2.97Å; Q48-L50 VanDerWaalsContact C-N 3.31Å; Q48-L50 PolarHBondContact O-N 3.3Å; L50-L54 HydrophobicContact CD1-CD1 3.83Å; L50-L54 HydrophobicContact CD1-CG 4.1Å; L50-L54 HydrophobicContact CG-CD1 3.94Å; L50-L54 WeakPolarHBondContact O-CB 3.41Å; L50-L54 VanDerWaalsContact O-CG 3.22Å; L50-L54 WeakPolarHBondContact O-CG 3.41Å; L50-L54 PolarHBondContact O-N 3.29Å; L50-L76 HydrophobicContact CD2-CD1 4.15Å; L50-F84 HydrophobicContact CB-CE2 4.45Å; L50-F84 HydrophobicContact CD2-CE2 4.12Å; L50-F84 HydrophobicContact CG-CE2 4.08Å
51L97.9Very high96Very high9 Ų938.8 Ų38.85%0.04719%0.192CC..Hα-helixtrans-67.4-46.3177.1-17761.3000111.4G47 Q48 L54 L55 F73 F84 E87 L88G47-L51 WeakPolarHBondContact O-CB 3.38Å; G47-L51 PolarHBondContact O-N 2.9Å; Q48-L51 PolarHBondContact O-N 3.48Å; L51-L54 PolarHBondContact O-N 2.75Å; L51-L55 HydrophobicContact CD1-CD1 3.81Å; L51-L55 HydrophobicContact CD1-CD2 4.33Å; L51-L55 HydrophobicContact CD1-CG 3.87Å; L51-L55 HydrophobicContact CD2-CD1 4.48Å; L51-L55 HydrophobicContact CG-CD1 3.77Å; L51-L55 HydrophobicContact CG-CG 4.25Å; L51-L55 WeakPolarHBondContact O-CB 3.28Å; L51-L55 VanDerWaalsContact O-CG 3.25Å; L51-L55 WeakPolarHBondContact O-CG 3.37Å; L51-L55 PolarHBondContact O-N 2.99Å; L51-F73 HydrophobicContact CD1-CE1 3.98Å; L51-F73 HydrophobicContact CD1-CZ 4.31Å; L51-F84 HydrophobicContact CB-CD2 4.1Å; L51-F84 HydrophobicContact CB-CE2 3.76Å; L51-F84 HydrophobicContact CD1-CE2 4.09Å; L51-F84 HydrophobicContact CD1-CZ 4.2Å; L51-F84 HydrophobicContact CG-CE2 4.47Å; L51-E87 HydrophobicContact CD2-CB 3.54Å; L51-L88 HydrophobicContact CD1-CB 4.06Å; L51-L88 HydrophobicContact CD1-CD1 3.65Å; L51-L88 HydrophobicContact CD1-CG 4.41Å
52E97.1Very high96Very high45 Ų4533.8 Ų33.821%0.2117%0.169CC..Hα-helixtrans-52.1-56.5175-170.9173.5-175.800110.5R7 Q48 L54 L55 E56 F610R7-E52 IonicContact CZ-OE1 3.85Å; R7-E52 IonicContact CZ-OE2 2.72Å; R7-E52 IonicContact NE-OE2 2.8Å; R7-E52 IonicContact NH2-OE1 3.05Å; R7-E52 PolarHBondContact NH2-OE1 2.97Å; R7-E52 IonicContact NH2-OE2 2.72Å; R7-E52 PolarHBondContact NH2-OE2 3.41Å; Q48-E52 WeakPolarHBondContact O-CB 3.49Å; Q48-E52 PolarHBondContact O-N 2.98Å; E52-L54 PolarHBondContact O-N 3.28Å; E52-L55 PolarHBondContact O-N 3.05Å; E52-E56 WeakPolarHBondContact O-CG 3.24Å; E52-E56 PolarHBondContact O-N 2.89Å; E52-E56 VanDerWaalsContact O-N 3.15Å; E52-F610 HydrophobicContact CB-CE2 4.15Å; E52-F610 HydrophobicContact CG-CD2 4.07Å; E52-F610 HydrophobicContact CG-CE2 3.89Å
53Y98.4Very high96Very high3 Ų329.6 Ų29.61%0.01215%0.151CC..Hα-helixtrans-56.2-47175.7174.8-85.5000113.8L17 M18 T21 C49 E56 R57 F610 L613L17-Y53 HydrophobicContact CB-CD1 4.12Å; L17-Y53 HydrophobicContact CB-CE1 3.55Å; L17-Y53 HydrophobicContact CB-CE2 4.27Å; L17-Y53 HydrophobicContact CD1-CD1 4.16Å; L17-Y53 HydrophobicContact CD1-CE1 4.43Å; L17-Y53 HydrophobicContact CD1-CG 4.31Å; L17-Y53 HydrophobicContact CG-CE1 4.41Å; L17-Y53 PolarHBondContact O-OH 3.46Å; M18-Y53 WeakPolarHBondContact CA-OH 3.34Å; M18-Y53 HydrophobicContact CE-CE2 4.19Å; M18-Y53 WeakPolarHBondContact CE-OH 3.43Å; M18-Y53 PolarHBondContact N-OH 2.93Å; T21-Y53 HydrophobicContact CG2-CE1 4.21Å; T21-Y53 PolarHBondContact OG1-OH 3.08Å; C49-Y53 WeakPolarHBondContact O-CB 3.48Å; C49-Y53 PolarHBondContact O-N 3.1Å; Y53-E56 PolarHBondContact O-N 3.38Å; Y53-R57 HydrophobicContact CD1-CG 4.26Å; Y53-R57 HydrophobicContact CE1-CG 3.69Å; Y53-R57 HydrophobicContact CE2-CG 4.26Å; Y53-R57 WeakPolarHBondContact O-CG 3.32Å; Y53-R57 PolarHBondContact O-N 3.41Å; Y53-F610 HydrophobicContact CD2-CD1 4.11Å; Y53-F610 HydrophobicContact CD2-CE1 4.22Å; Y53-L613 HydrophobicContact CD2-CD1 4.28Å; Y53-L613 HydrophobicContact CE2-CD1 3.93Å
54L98.6Very high96.2Very high0 Ų030 Ų300%015%0.149CC..Hα-helixtrans-70.4-36.5-176.1-73173.4000112.1T21 L50 L51 E52 E56 R57 L58 V69 I72 F73 L76 F84T21-L54 HydrophobicContact CG2-CD2 4.11Å; L50-L54 HydrophobicContact CD1-CD1 3.83Å; L50-L54 HydrophobicContact CD1-CG 4.1Å; L50-L54 HydrophobicContact CG-CD1 3.94Å; L50-L54 WeakPolarHBondContact O-CB 3.41Å; L50-L54 VanDerWaalsContact O-CG 3.22Å; L50-L54 WeakPolarHBondContact O-CG 3.41Å; L50-L54 PolarHBondContact O-N 3.29Å; L51-L54 PolarHBondContact O-N 2.75Å; E52-L54 PolarHBondContact O-N 3.28Å; L54-E56 VanDerWaalsContact C-N 3.33Å; L54-R57 PolarHBondContact O-N 3.3Å; L54-L58 WeakPolarHBondContact O-CB 3.48Å; L54-L58 PolarHBondContact O-N 2.88Å; L54-V69 HydrophobicContact CB-CG1 4.27Å; L54-V69 HydrophobicContact CD2-CG1 4.29Å; L54-V69 HydrophobicContact CD2-CG2 4.31Å; L54-V69 WeakPolarHBondContact O-CG1 3.36Å; L54-I72 HydrophobicContact CD1-CG2 3.75Å; L54-I72 HydrophobicContact CD2-CD1 4.23Å; L54-I72 HydrophobicContact CD2-CG2 4.11Å; L54-F73 HydrophobicContact CB-CE1 3.83Å; L54-F73 HydrophobicContact CB-CE2 4.35Å; L54-F73 HydrophobicContact CB-CZ 3.53Å; L54-F73 HydrophobicContact CD1-CD1 4.28Å; L54-F73 HydrophobicContact CD1-CE1 3.8Å; L54-F73 HydrophobicContact CD1-CZ 4.32Å; L54-F73 HydrophobicContact CG-CE1 4.48Å; L54-L76 HydrophobicContact CD1-CD1 4.11Å; L54-F84 HydrophobicContact CD1-CZ 4.41Å
55L98.4Very high96.5Very high11 Ų1127.5 Ų27.56%0.05813%0.132CC..Hα-helixtrans-68.8-32.1176.5-67.7174.5000112.1L51 E52 L58 Q59 F73 L88 N91 F94L51-L55 HydrophobicContact CD1-CD1 3.81Å; L51-L55 HydrophobicContact CD1-CD2 4.33Å; L51-L55 HydrophobicContact CD1-CG 3.87Å; L51-L55 HydrophobicContact CD2-CD1 4.48Å; L51-L55 HydrophobicContact CG-CD1 3.77Å; L51-L55 HydrophobicContact CG-CG 4.25Å; L51-L55 WeakPolarHBondContact O-CB 3.28Å; L51-L55 VanDerWaalsContact O-CG 3.25Å; L51-L55 WeakPolarHBondContact O-CG 3.37Å; L51-L55 PolarHBondContact O-N 2.99Å; E52-L55 PolarHBondContact O-N 3.05Å; L55-L58 PolarHBondContact O-N 3.08Å; L55-Q59 WeakPolarHBondContact O-CG 3.46Å; L55-Q59 PolarHBondContact O-N 3.03Å; L55-Q59 PolarHBondContact O-NE2 2.78Å; L55-F73 HydrophobicContact CD2-CE2 4.35Å; L55-F73 HydrophobicContact CD2-CZ 3.94Å; L55-F73 HydrophobicContact CG-CZ 4.38Å; L55-L88 HydrophobicContact CD2-CD1 4.44Å; L55-N91 HydrophobicContact CD1-CB 3.56Å; L55-N91 HydrophobicContact CD2-CB 4.46Å; L55-F94 HydrophobicContact CB-CD2 4.44Å; L55-F94 HydrophobicContact CD1-CD2 4.07Å; L55-F94 HydrophobicContact CD1-CE2 4.15Å; L55-F94 HydrophobicContact CD2-CB 3.9Å; L55-F94 HydrophobicContact CD2-CD2 3.77Å; L55-F94 HydrophobicContact CD2-CG 4.03Å; L55-F94 HydrophobicContact CG-CD2 4.31Å
56E97.9Very high96.8Very high44 Ų4428 Ų2821%0.20613%0.134CC..Hα-helixtrans-68.9-47.4171.3-71.5175.8-147.400112E52 Y53 L54 L58 Q59 V60 S608 F610E52-E56 WeakPolarHBondContact O-CG 3.24Å; E52-E56 PolarHBondContact O-N 2.89Å; E52-E56 VanDerWaalsContact O-N 3.15Å; Y53-E56 PolarHBondContact O-N 3.38Å; L54-E56 VanDerWaalsContact C-N 3.33Å; E56-L58 PolarHBondContact O-N 3.2Å; E56-Q59 WeakPolarHBondContact O-CB 3.44Å; E56-Q59 PolarHBondContact O-N 3.24Å; E56-V60 PolarHBondContact O-N 3.21Å; E56-S608 VanDerWaalsContact CD-OG 3.29Å; E56-S608 VanDerWaalsContact OE1-CB 3.22Å; E56-S608 WeakPolarHBondContact OE1-CB 3.22Å; E56-S608 PolarHBondContact OE1-OG 3.12Å; E56-S608 PolarHBondContact OE2-OG 3.36Å; E56-F610 VanDerWaalsContact OE2-CB 3.29Å; E56-F610 WeakPolarHBondContact OE2-CB 3.32Å
57R98.1Very high97Very high25 Ų2528.5 Ų28.59%0.09414%0.137CC..Hα-helixtrans-61.4-29.2173.6-65.1-62.2-69.4157.71.8112.2T21 Y53 L54 Q59 V65 V69T21-R57 PolarHBondContact O-NH2 2.94Å; T21-R57 PolarHBondContact OG1-NE 3.11Å; Y53-R57 HydrophobicContact CD1-CG 4.26Å; Y53-R57 HydrophobicContact CE1-CG 3.69Å; Y53-R57 HydrophobicContact CE2-CG 4.26Å; Y53-R57 WeakPolarHBondContact O-CG 3.32Å; Y53-R57 PolarHBondContact O-N 3.41Å; L54-R57 PolarHBondContact O-N 3.3Å; R57-Q59 VanDerWaalsContact C-N 3.28Å; R57-Q59 PolarHBondContact O-N 3.32Å; R57-V65 HydrophobicContact CB-CG1 4.01Å; R57-V65 VanDerWaalsContact NH2-CG2 3.34Å; R57-V65 WeakPolarHBondContact O-CG1 3.44Å; R57-V69 HydrophobicContact CB-CG2 3.61Å
58L98.3Very high97.2Very high6 Ų629.1 Ų29.13%0.03114%0.14CC..Hα-helixtrans-68.4-23.6172.9-170.457000113.3L54 L55 E56 K66 V69 L70 F73 F94 A98L54-L58 WeakPolarHBondContact O-CB 3.48Å; L54-L58 PolarHBondContact O-N 2.88Å; L55-L58 PolarHBondContact O-N 3.08Å; E56-L58 PolarHBondContact O-N 3.2Å; L58-K66 HydrophobicContact CD1-CB 4.18Å; L58-K66 HydrophobicContact CD1-CG 4.22Å; L58-K66 WeakPolarHBondContact O-CG 3.31Å; L58-K66 PolarHBondContact O-NZ 3.06Å; L58-V69 HydrophobicContact CB-CG1 3.96Å; L58-V69 HydrophobicContact CD1-CG1 4.25Å; L58-L70 HydrophobicContact CD1-CD1 4.35Å; L58-L70 HydrophobicContact CD1-CD2 3.95Å; L58-L70 HydrophobicContact CD1-CG 3.86Å; L58-L70 HydrophobicContact CD2-CD2 4.32Å; L58-F73 HydrophobicContact CD2-CE2 4.09Å; L58-F94 HydrophobicContact CD2-CB 4.04Å; L58-A98 HydrophobicContact CD1-CB 4.04Å; L58-A98 HydrophobicContact CD2-CB 4.36Å; L58-A98 HydrophobicContact CG-CB 4.43Å
59Q97.1Very high97.4Very high103 Ų10327.3 Ų27.348%0.48113%0.131SC..Hα-helixtrans-80-35.1179.4-73.7165.488.600112.5L55 E56 R57 K66 F94L55-Q59 WeakPolarHBondContact O-CG 3.46Å; L55-Q59 PolarHBondContact O-N 3.03Å; L55-Q59 PolarHBondContact O-NE2 2.78Å; E56-Q59 WeakPolarHBondContact O-CB 3.44Å; E56-Q59 PolarHBondContact O-N 3.24Å; R57-Q59 VanDerWaalsContact C-N 3.28Å; R57-Q59 PolarHBondContact O-N 3.32Å; Q59-K66 VanDerWaalsContact C-NZ 3.28Å; Q59-K66 PolarHBondContact O-NZ 3.31Å; Q59-F94 VanDerWaalsContact CD-CE1 3.47Å; Q59-F94 HydrophobicContact CG-CD1 3.95Å; Q59-F94 HydrophobicContact CG-CE1 4Å
60V95.9Very high97.6Very high28 Ų2827.3 Ų27.317%0.1713%0.131CC..SBendtrans-45.9135178.2178.50000112.9E56 S62 V65 K66E56-V60 PolarHBondContact O-N 3.21Å; V60-S62 PolarHBondContact O-N 2.96Å; V60-V65 HydrophobicContact CB-CG1 4.46Å; V60-K66 WeakPolarHBondContact O-CE 3.25Å; V60-K66 PolarHBondContact O-NZ 3.16Å
61E94.4Very high97.6Very high184 Ų18432 Ų3286%0.8615%0.152SC*.SBendtrans-77.243.1-172.4-58.9-165.2146.100114.9
62S95.6Very high97.7Very high10 Ų1031.6 Ų31.67%0.0715%0.15CC..  trans-121.6132.5173.1161.60000112.3D23 V60 H64 V65 K66D23-S62 VanDerWaalsContact CG-OG 3.26Å; D23-S62 VanDerWaalsContact OD1-CB 3.3Å; D23-S62 WeakPolarHBondContact OD1-CB 3.32Å; D23-S62 PolarHBondContact OD1-OG 3.15Å; D23-S62 WeakPolarHBondContact OD2-CB 3.34Å; D23-S62 PolarHBondContact OD2-OG 3.27Å; V60-S62 PolarHBondContact O-N 2.96Å; S62-H64 VanDerWaalsContact C-N 3.3Å; S62-H64 PolarHBondContact O-N 3.02Å; S62-H64 PolarHBondContact OG-CD2 2.83Å; S62-H64 PolarHBondContact OG-N 3.45Å; S62-H64 VanDerWaalsContact OG-N 3.09Å; S62-V65 PolarHBondContact OG-N 3.25Å; S62-K66 WeakPolarHBondContact O-CB 3.25Å; S62-K66 VanDerWaalsContact O-CG 3.26Å; S62-K66 WeakPolarHBondContact O-CG 3.23Å; S62-K66 PolarHBondContact O-N 3.28Å
63C95.9Very high97.7Very high10 Ų1029.5 Ų29.57%0.06814%0.14CC..Hα-helixtrans-58.2-40.4171.2-69.40000112.5L67 L113 V117C63-L67 WeakPolarHBondContact O-CB 3.48Å; C63-L67 PolarHBondContact O-N 3.01Å; C63-L113 HydrophobicContact CB-CB 3.88Å; C63-V117 HydrophobicContact CB-CG2 4.44Å; C63-V117 WeakPolarHBondContact O-CG2 3.48Å
64H96.8Very high97.7Very high40 Ų4031.8 Ų31.819%0.18515%0.152CC..Hα-helixtrans-71.4-43.2-175-41.9-80.9000110.4D23 E25 S62 L67 K68D23-H64 IonicContact OD1-CD2 2.93Å; E25-H64 IonicContact OE1-CE1 2.73Å; E25-H64 PolarHBondContact OE1-CE1 3.18Å; E25-H64 VanDerWaalsContact OE1-CE1 3.26Å; E25-H64 IonicContact OE1-ND1 3.15Å; E25-H64 IonicContact OE2-CE1 3.35Å; E25-H64 PolarHBondContact OE2-CE1 3.26Å; E25-H64 IonicContact OE2-ND1 3.82Å; E25-H64 PolarHBondContact OE2-ND1 2.92Å; S62-H64 VanDerWaalsContact C-N 3.3Å; S62-H64 PolarHBondContact O-N 3.02Å; S62-H64 PolarHBondContact OG-CD2 2.83Å; S62-H64 PolarHBondContact OG-N 3.45Å; S62-H64 VanDerWaalsContact OG-N 3.09Å; H64-L67 PolarHBondContact O-N 2.92Å; H64-K68 WeakPolarHBondContact O-CB 3.39Å; H64-K68 VanDerWaalsContact O-CG 3.25Å; H64-K68 WeakPolarHBondContact O-CG 3.4Å; H64-K68 PolarHBondContact O-N 2.9Å
65V98.4Very high97.7Very high0 Ų033.7 Ų33.70%016%0.16CC..Hα-helixtrans-63.2-51175.6-175.80000110.6D23 R57 V60 S62 L67 K68 V69D23-V65 HydrophobicContact CB-CG2 3.63Å; D23-V65 WeakPolarHBondContact OD2-CG2 3.5Å; R57-V65 HydrophobicContact CB-CG1 4.01Å; R57-V65 VanDerWaalsContact NH2-CG2 3.34Å; R57-V65 WeakPolarHBondContact O-CG1 3.44Å; V60-V65 HydrophobicContact CB-CG1 4.46Å; S62-V65 PolarHBondContact OG-N 3.25Å; V65-L67 VanDerWaalsContact C-N 3.33Å; V65-L67 PolarHBondContact O-N 3.35Å; V65-K68 PolarHBondContact O-N 3.41Å; V65-V69 HydrophobicContact CG1-CG2 4.36Å; V65-V69 WeakPolarHBondContact O-CB 3.44Å; V65-V69 WeakPolarHBondContact O-CG2 3.32Å; V65-V69 PolarHBondContact O-N 3.02Å
66K98.3Very high97.7Very high13 Ų1333.1 Ų33.16%0.05716%0.158CC..Hα-helixtrans-57.2-45.6177.7-68.2-175.4-164.2-50.10111.4L58 Q59 V60 S62 V69 L70 Y101 V117L58-K66 HydrophobicContact CD1-CB 4.18Å; L58-K66 HydrophobicContact CD1-CG 4.22Å; L58-K66 WeakPolarHBondContact O-CG 3.31Å; L58-K66 PolarHBondContact O-NZ 3.06Å; Q59-K66 VanDerWaalsContact C-NZ 3.28Å; Q59-K66 PolarHBondContact O-NZ 3.31Å; V60-K66 WeakPolarHBondContact O-CE 3.25Å; V60-K66 PolarHBondContact O-NZ 3.16Å; S62-K66 WeakPolarHBondContact O-CB 3.25Å; S62-K66 VanDerWaalsContact O-CG 3.26Å; S62-K66 WeakPolarHBondContact O-CG 3.23Å; S62-K66 PolarHBondContact O-N 3.28Å; K66-V69 PolarHBondContact O-N 3.45Å; K66-L70 WeakPolarHBondContact O-CB 3.45Å; K66-L70 WeakPolarHBondContact O-CG 3.48Å; K66-L70 PolarHBondContact O-N 2.92Å; K66-Y101 HydrophobicContact CD-CD1 3.72Å; K66-Y101 HydrophobicContact CD-CD2 4.19Å; K66-Y101 HydrophobicContact CD-CE1 3.64Å; K66-Y101 HydrophobicContact CD-CE2 4.16Å; K66-Y101 HydrophobicContact CD-CG 3.99Å; K66-V117 HydrophobicContact CB-CG1 3.9Å; K66-V117 HydrophobicContact CB-CG2 4.03Å; K66-V117 HydrophobicContact CD-CG1 4.18Å
67L98.2Very high97.6Very high28 Ų2832.2 Ų32.215%0.14716%0.156CC..Hα-helixtrans-66.2-38.6179.5-175.359.4000113C63 H64 V65 K71 K116 V117 A120C63-L67 WeakPolarHBondContact O-CB 3.48Å; C63-L67 PolarHBondContact O-N 3.01Å; H64-L67 PolarHBondContact O-N 2.92Å; V65-L67 VanDerWaalsContact C-N 3.33Å; V65-L67 PolarHBondContact O-N 3.35Å; L67-K71 HydrophobicContact CG-CD 4.5Å; L67-K71 WeakPolarHBondContact O-CB 3.4Å; L67-K71 WeakPolarHBondContact O-CG 3.4Å; L67-K71 PolarHBondContact O-N 3.49Å; L67-K71 VanDerWaalsContact O-N 3.11Å; L67-K116 HydrophobicContact CD1-CB 4.25Å; L67-K116 WeakPolarHBondContact CD1-O 3.49Å; L67-K116 HydrophobicContact CD2-CB 4.09Å; L67-V117 HydrophobicContact CB-CG2 4.15Å; L67-A120 HydrophobicContact CD1-CB 3.9Å
68K98.7Very high97.4Very high14 Ų1434.1 Ų34.16%0.06118%0.183CC..Hα-helixtrans-65.1-45.7174.4-73175.1-165.8-171.50111A22 D24 T26 C28 H64 V65 K71 I72A22-K68 VanDerWaalsContact O-CD 3.27Å; A22-K68 WeakPolarHBondContact O-CD 3.33Å; A22-K68 WeakPolarHBondContact O-CE 3.41Å; A22-K68 PolarHBondContact O-NZ 2.97Å; D24-K68 WeakPolarHBondContact O-CE 3.31Å; D24-K68 PolarHBondContact O-NZ 2.78Å; D24-K68 IonicContact OD1-NZ 3.76Å; D24-K68 PolarHBondContact OD1-NZ 3.29Å; D24-K68 IonicContact OD2-NZ 3.27Å; D24-K68 PolarHBondContact OD2-NZ 2.97Å; T26-K68 WeakPolarHBondContact O-CE 3.44Å; T26-K68 PolarHBondContact O-NZ 3.03Å; C28-K68 HydrophobicContact CB-CG 4.48Å; H64-K68 WeakPolarHBondContact O-CB 3.39Å; H64-K68 VanDerWaalsContact O-CG 3.25Å; H64-K68 WeakPolarHBondContact O-CG 3.4Å; H64-K68 PolarHBondContact O-N 2.9Å; V65-K68 PolarHBondContact O-N 3.41Å; K68-K71 PolarHBondContact O-N 2.76Å; K68-I72 WeakPolarHBondContact O-CG1 3.39Å; K68-I72 PolarHBondContact O-N 3.1Å
69V98.8Very high97.3Very high0 Ų038.9 Ų38.90%021%0.205CC..Hα-helixtrans-62.7-46.2177.1171.10000112.2T21 L54 R57 L58 V65 K66 K71 I72 F73T21-V69 HydrophobicContact CG2-CG2 3.67Å; L54-V69 HydrophobicContact CB-CG1 4.27Å; L54-V69 HydrophobicContact CD2-CG1 4.29Å; L54-V69 HydrophobicContact CD2-CG2 4.31Å; L54-V69 WeakPolarHBondContact O-CG1 3.36Å; R57-V69 HydrophobicContact CB-CG2 3.61Å; L58-V69 HydrophobicContact CB-CG1 3.96Å; L58-V69 HydrophobicContact CD1-CG1 4.25Å; V65-V69 HydrophobicContact CG1-CG2 4.36Å; V65-V69 WeakPolarHBondContact O-CB 3.44Å; V65-V69 WeakPolarHBondContact O-CG2 3.32Å; V65-V69 PolarHBondContact O-N 3.02Å; K66-V69 PolarHBondContact O-N 3.45Å; V69-K71 VanDerWaalsContact C-N 3.33Å; V69-K71 PolarHBondContact O-N 3.29Å; V69-I72 WeakPolarHBondContact O-CA 3.33Å; V69-I72 WeakPolarHBondContact O-CB 3.45Å; V69-I72 PolarHBondContact O-N 2.89Å; V69-F73 HydrophobicContact CG1-CD2 3.88Å; V69-F73 HydrophobicContact CG1-CE2 3.49Å; V69-F73 VanDerWaalsContact CG1-CE2 3.49Å; V69-F73 HydrophobicContact CG1-CZ 4.2Å; V69-F73 PolarHBondContact O-N 2.87Å
70L98.8Very high97.2Very high0 Ų034.6 Ų34.60%019%0.188CC..Hα-helixtrans-62.5-40.2178.3-70.1168.1000111.8L58 K66 I72 F73 I74 A98 V117 A120 A121 V124L58-L70 HydrophobicContact CD1-CD1 4.35Å; L58-L70 HydrophobicContact CD1-CD2 3.95Å; L58-L70 HydrophobicContact CD1-CG 3.86Å; L58-L70 HydrophobicContact CD2-CD2 4.32Å; K66-L70 WeakPolarHBondContact O-CB 3.45Å; K66-L70 WeakPolarHBondContact O-CG 3.48Å; K66-L70 PolarHBondContact O-N 2.92Å; L70-I72 VanDerWaalsContact C-N 3.29Å; L70-I72 PolarHBondContact O-N 3.38Å; L70-F73 HydrophobicContact CD2-CD2 4.49Å; L70-F73 PolarHBondContact O-N 3.32Å; L70-F73 VanDerWaalsContact O-N 3.16Å; L70-I74 WeakPolarHBondContact O-CG1 3.2Å; L70-I74 PolarHBondContact O-N 3.02Å; L70-A98 HydrophobicContact CD1-CB 4.26Å; L70-A98 HydrophobicContact CD2-CB 4.29Å; L70-V117 HydrophobicContact CD1-CG1 3.78Å; L70-V117 VanDerWaalsContact CD1-O 3.3Å; L70-V117 WeakPolarHBondContact CD1-O 3.22Å; L70-A120 HydrophobicContact CB-CB 3.89Å; L70-A120 HydrophobicContact CD1-CB 4.05Å; L70-A121 HydrophobicContact CD1-CB 3.91Å; L70-A121 HydrophobicContact CD2-CB 3.92Å; L70-V124 HydrophobicContact CD2-CG2 4.2Å; L70-V124 WeakPolarHBondContact O-CG2 3.41Å
71K98.6Very high97.1Very high99 Ų9934.1 Ų34.143%0.4319%0.186SC..Hα-helixtrans-62.2-34.5172.3-74.8175.9177.3-179.30112.7F33 L67 K68 V69 I74 H75F33-K71 HydrophobicContact CE1-CB 4.07Å; F33-K71 HydrophobicContact CZ-CB 4.21Å; L67-K71 HydrophobicContact CG-CD 4.5Å; L67-K71 WeakPolarHBondContact O-CB 3.4Å; L67-K71 WeakPolarHBondContact O-CG 3.4Å; L67-K71 PolarHBondContact O-N 3.49Å; L67-K71 VanDerWaalsContact O-N 3.11Å; K68-K71 PolarHBondContact O-N 2.76Å; V69-K71 VanDerWaalsContact C-N 3.33Å; V69-K71 PolarHBondContact O-N 3.29Å; K71-I74 PolarHBondContact O-N 2.87Å; K71-H75 PolarHBondContact O-N 3.43Å
72I98.8Very high97Very high1 Ų134.1 Ų34.11%0.00518%0.183CC..Hα-helixtrans-66.7-41.6173.5-68.2161000110.4A20 T21 F33 I36 L54 K68 V69 L70 H75 L76A20-I72 HydrophobicContact CB-CD1 4.02Å; T21-I72 HydrophobicContact CG2-CD1 3.77Å; F33-I72 HydrophobicContact CD1-CG1 4.07Å; F33-I72 HydrophobicContact CE1-CB 4.47Å; F33-I72 HydrophobicContact CE1-CG1 3.75Å; I36-I72 HydrophobicContact CD1-CD1 3.95Å; I36-I72 HydrophobicContact CD1-CG1 4.22Å; I36-I72 HydrophobicContact CD1-CG2 4.25Å; I36-I72 HydrophobicContact CG2-CG2 3.86Å; L54-I72 HydrophobicContact CD1-CG2 3.75Å; L54-I72 HydrophobicContact CD2-CD1 4.23Å; L54-I72 HydrophobicContact CD2-CG2 4.11Å; K68-I72 WeakPolarHBondContact O-CG1 3.39Å; K68-I72 PolarHBondContact O-N 3.1Å; V69-I72 WeakPolarHBondContact O-CA 3.33Å; V69-I72 WeakPolarHBondContact O-CB 3.45Å; V69-I72 PolarHBondContact O-N 2.89Å; L70-I72 VanDerWaalsContact C-N 3.29Å; L70-I72 PolarHBondContact O-N 3.38Å; I72-H75 PolarHBondContact O-N 3.27Å; I72-L76 HydrophobicContact CG2-CD1 3.82Å; I72-L76 HydrophobicContact CG2-CG 4.4Å; I72-L76 WeakPolarHBondContact O-CB 3.38Å; I72-L76 WeakPolarHBondContact O-CG 3.38Å; I72-L76 PolarHBondContact O-N 2.84Å
73F98.6Very high96.9Very high0 Ų037.5 Ų37.50%020%0.198CC..Hα-helixtrans-63.2-42.8172.9-70-47.6000112.6L51 L54 L55 L58 V69 L70 H75 L76 C77 F84 L88 V124L51-F73 HydrophobicContact CD1-CE1 3.98Å; L51-F73 HydrophobicContact CD1-CZ 4.31Å; L54-F73 HydrophobicContact CB-CE1 3.83Å; L54-F73 HydrophobicContact CB-CE2 4.35Å; L54-F73 HydrophobicContact CB-CZ 3.53Å; L54-F73 HydrophobicContact CD1-CD1 4.28Å; L54-F73 HydrophobicContact CD1-CE1 3.8Å; L54-F73 HydrophobicContact CD1-CZ 4.32Å; L54-F73 HydrophobicContact CG-CE1 4.48Å; L55-F73 HydrophobicContact CD2-CE2 4.35Å; L55-F73 HydrophobicContact CD2-CZ 3.94Å; L55-F73 HydrophobicContact CG-CZ 4.38Å; L58-F73 HydrophobicContact CD2-CE2 4.09Å; V69-F73 HydrophobicContact CG1-CD2 3.88Å; V69-F73 HydrophobicContact CG1-CE2 3.49Å; V69-F73 VanDerWaalsContact CG1-CE2 3.49Å; V69-F73 HydrophobicContact CG1-CZ 4.2Å; V69-F73 PolarHBondContact O-N 2.87Å; L70-F73 HydrophobicContact CD2-CD2 4.49Å; L70-F73 PolarHBondContact O-N 3.32Å; L70-F73 VanDerWaalsContact O-N 3.16Å; F73-H75 VanDerWaalsContact C-N 3.31Å; F73-H75 PolarHBondContact O-N 3.21Å; F73-L76 CarbonylContact O-C 3.6Å; F73-L76 PolarHBondContact O-N 3.42Å; F73-L76 VanDerWaalsContact O-N 3.12Å; F73-C77 PolarHBondContact O-N 2.92Å; F73-C77 PolarHBondContact O-SG 3.38Å; F73-F84 HydrophobicContact CD1-CE1 4.34Å; F73-F84 HydrophobicContact CD1-CZ 4.01Å; F73-F84 AromaticContact CE1-CZ 3.87Å; F73-F84 HydrophobicContact CE1-CZ 3.87Å; F73-L88 HydrophobicContact CB-CD2 4.41Å; F73-L88 HydrophobicContact CD1-CD1 3.89Å; F73-L88 HydrophobicContact CD1-CD2 3.6Å; F73-L88 HydrophobicContact CD1-CG 4.43Å; F73-L88 HydrophobicContact CE1-CD1 3.62Å; F73-L88 HydrophobicContact CE1-CD2 4.1Å; F73-L88 HydrophobicContact CE2-CD1 4.41Å; F73-L88 HydrophobicContact CG-CD1 4.4Å; F73-L88 HydrophobicContact CG-CD2 4.17Å; F73-L88 HydrophobicContact CZ-CD1 3.9Å; F73-V124 HydrophobicContact CB-CG1 3.94Å; F73-V124 HydrophobicContact CB-CG2 3.81Å
74I98.1Very high97Very high51 Ų5137 Ų3726%0.26220%0.195SC..Hα-helixtrans-54.6-46.5173.3-68.4171.9000110.8L70 K71 C77 A120 E123 V124 L127L70-I74 WeakPolarHBondContact O-CG1 3.2Å; L70-I74 PolarHBondContact O-N 3.02Å; K71-I74 PolarHBondContact O-N 2.87Å; I74-C77 WeakPolarHBondContact O-CB 3.48Å; I74-C77 PolarHBondContact O-N 3.32Å; I74-A120 HydrophobicContact CD1-CB 4.49Å; I74-E123 HydrophobicContact CD1-CB 4.1Å; I74-E123 HydrophobicContact CD1-CG 3.76Å; I74-E123 HydrophobicContact CG1-CG 4.08Å; I74-V124 HydrophobicContact CD1-CG2 4.4Å; I74-V124 HydrophobicContact CG1-CG2 3.55Å; I74-L127 HydrophobicContact CB-CD1 4.35Å; I74-L127 HydrophobicContact CG1-CD1 4.39Å; I74-L127 HydrophobicContact CG2-CD1 3.87Å
75H98.1Very high96.9Very high40 Ų4036.1 Ų36.119%0.18519%0.191CC..Hα-helixtrans-62-46.8176.1-18072.2000111.8F33 K71 I72 F73 C77 G78 H79F33-H75 HydrophobicContact CB-CB 4.43Å; F33-H75 HydrophobicContact CD1-CB 3.76Å; F33-H75 HydrophobicContact CG-CB 4.48Å; F33-H75 PolarHBondContact O-CD2 2.93Å; F33-H75 VanDerWaalsContact O-CD2 3.3Å; F33-H75 PolarHBondContact O-NE2 3.09Å; F33-H75 VanDerWaalsContact O-NE2 3.17Å; K71-H75 PolarHBondContact O-N 3.43Å; I72-H75 PolarHBondContact O-N 3.27Å; F73-H75 VanDerWaalsContact C-N 3.31Å; F73-H75 PolarHBondContact O-N 3.21Å; H75-C77 VanDerWaalsContact C-N 3.29Å; H75-C77 PolarHBondContact O-N 3.14Å; H75-G78 PolarHBondContact O-N 3.07Å; H75-G78 VanDerWaalsContact O-N 3.12Å; H75-H79 AromaticContact CE1-CD2 3.65Å; H75-H79 AromaticContact CE1-CE1 3.67Å; H75-H79 AromaticContact CE1-CG 3.32Å; H75-H79 AromaticContact CE1-ND1 3.32Å; H75-H79 PolarHBondContact CE1-ND1 2.65Å; H75-H79 VanDerWaalsContact CE1-ND1 3.32Å; H75-H79 AromaticContact CE1-NE2 3.84Å; H75-H79 AromaticContact CG-ND1 3.96Å; H75-H79 AromaticContact ND1-CE1 3.72Å; H75-H79 AromaticContact ND1-CG 3.84Å; H75-H79 AromaticContact ND1-ND1 3.36Å; H75-H79 PolarHBondContact ND1-ND1 2.91Å; H75-H79 WeakPolarHBondContact NE2-CB 3.32Å; H75-H79 AromaticContact NE2-CG 3.57Å; H75-H79 AromaticContact NE2-ND1 3.9Å; H75-H79 WeakPolarHBondContact O-CB 3.19Å; H75-H79 PolarHBondContact O-N 2.92Å; H75-H79 PolarHBondContact O-ND1 3.41Å
76L97.8Very high96.8Very high0 Ų039.3 Ų39.30%021%0.21CC..Hα-helixtrans-67.9-23.1-178.3-70.2172.1000113.5I36 C40 L50 L54 I72 F73 G78 H79 G80 F84I36-L76 HydrophobicContact CG2-CD1 4Å; I36-L76 HydrophobicContact CG2-CD2 4.3Å; I36-L76 HydrophobicContact CG2-CG 4.47Å; C40-L76 HydrophobicContact CB-CD2 3.87Å; L50-L76 HydrophobicContact CD2-CD1 4.15Å; L54-L76 HydrophobicContact CD1-CD1 4.11Å; I72-L76 HydrophobicContact CG2-CD1 3.82Å; I72-L76 HydrophobicContact CG2-CG 4.4Å; I72-L76 WeakPolarHBondContact O-CB 3.38Å; I72-L76 WeakPolarHBondContact O-CG 3.38Å; I72-L76 PolarHBondContact O-N 2.84Å; F73-L76 CarbonylContact O-C 3.6Å; F73-L76 PolarHBondContact O-N 3.42Å; F73-L76 VanDerWaalsContact O-N 3.12Å; L76-G78 PolarHBondContact O-N 3.25Å; L76-H79 PolarHBondContact O-N 2.91Å; L76-G80 VanDerWaalsContact O-CA 3.3Å; L76-G80 WeakPolarHBondContact O-CA 3.19Å; L76-G80 PolarHBondContact O-N 3.08Å; L76-F84 HydrophobicContact CB-CD1 4.35Å; L76-F84 HydrophobicContact CB-CE1 3.73Å; L76-F84 HydrophobicContact CB-CZ 4.42Å; L76-F84 HydrophobicContact CD1-CE1 3.62Å; L76-F84 HydrophobicContact CD1-CE2 4.23Å; L76-F84 HydrophobicContact CD1-CZ 3.44Å; L76-F84 VanDerWaalsContact CD1-CZ 3.44Å; L76-F84 HydrophobicContact CG-CE1 4.25Å
77C96.7Very high96.6Very high25 Ų2541 Ų4117%0.16922%0.219CC..Hα-helixtrans-56.3-33.2169.4-70.30000112.8F73 I74 H75 L127F73-C77 PolarHBondContact O-N 2.92Å; F73-C77 PolarHBondContact O-SG 3.38Å; I74-C77 WeakPolarHBondContact O-CB 3.48Å; I74-C77 PolarHBondContact O-N 3.32Å; H75-C77 VanDerWaalsContact C-N 3.29Å; H75-C77 PolarHBondContact O-N 3.14Å; C77-L127 HydrophobicContact CB-CB 3.82Å; C77-L127 HydrophobicContact CB-CD1 4.13Å
78G94.4Very high96.6Very high64 Ų6439.7 Ų39.766%0.6621%0.212SC*.Hα-helixtrans-99.6-20.6173.800000115.4H75 L76H75-G78 PolarHBondContact O-N 3.07Å; H75-G78 VanDerWaalsContact O-N 3.12Å; L76-G78 PolarHBondContact O-N 3.25Å
79H95.1Very high96.5Very high107 Ų10742.9 Ų42.950%0.49522%0.223SC..Hα-helixtrans-128.74.8-166.9-54.781.9000114.7H41 H75 L76H41-H79 PolarHBondContact CE1-O 2.86Å; H41-H79 VanDerWaalsContact CE1-O 3.23Å; H75-H79 AromaticContact CE1-CD2 3.65Å; H75-H79 AromaticContact CE1-CE1 3.67Å; H75-H79 AromaticContact CE1-CG 3.32Å; H75-H79 AromaticContact CE1-ND1 3.32Å; H75-H79 PolarHBondContact CE1-ND1 2.65Å; H75-H79 VanDerWaalsContact CE1-ND1 3.32Å; H75-H79 AromaticContact CE1-NE2 3.84Å; H75-H79 AromaticContact CG-ND1 3.96Å; H75-H79 AromaticContact ND1-CE1 3.72Å; H75-H79 AromaticContact ND1-CG 3.84Å; H75-H79 AromaticContact ND1-ND1 3.36Å; H75-H79 PolarHBondContact ND1-ND1 2.91Å; H75-H79 WeakPolarHBondContact NE2-CB 3.32Å; H75-H79 AromaticContact NE2-CG 3.57Å; H75-H79 AromaticContact NE2-ND1 3.9Å; H75-H79 WeakPolarHBondContact O-CB 3.19Å; H75-H79 PolarHBondContact O-N 2.92Å; H75-H79 PolarHBondContact O-ND1 3.41Å; L76-H79 PolarHBondContact O-N 2.91Å
80G94.8Very high96.3Very high12 Ų1251.5 Ų51.512%0.12426%0.256CS..SBendtrans-98.2164.4176.300000112.8C40 L76C40-G80 VanDerWaalsContact SG-CA 3.55Å; L76-G80 VanDerWaalsContact O-CA 3.3Å; L76-G80 WeakPolarHBondContact O-CA 3.19Å; L76-G80 PolarHBondContact O-N 3.08Å
81S94.8Very high96.2Very high19 Ų1953.9 Ų53.913%0.13327%0.268CS..  trans-72.8147.9-179.662.60000111.9C40 H41 H83 F84 L85C40-S81 WeakPolarHBondContact O-CB 3.41Å; C40-S81 PolarHBondContact O-OG 3.44Å; C40-S81 PolarHBondContact SG-N 2.8Å; H41-S81 PolarHBondContact CE1-N 3.24Å; S81-H83 PolarHBondContact O-N 2.74Å; S81-H83 VanDerWaalsContact O-N 3.1Å; S81-F84 WeakPolarHBondContact O-CB 3.41Å; S81-F84 PolarHBondContact O-N 3.37Å; S81-F84 WeakPolarHBondContact OG-CB 3.07Å; S81-F84 PolarHBondContact OG-N 3.19Å; S81-L85 PolarHBondContact O-N 2.85Å
82K92.9Very high96.1Very high183 Ų18350.2 Ų50.280%0.79626%0.255SS*.Hα-helixtrans-57.5-28.6179.4-66-172.3177.8-173.70113.1T86K82-T86 WeakPolarHBondContact O-CB 3.3Å; K82-T86 PolarHBondContact O-N 2.87Å; K82-T86 VanDerWaalsContact O-N 3.12Å; K82-T86 PolarHBondContact O-OG1 3.34Å
83H93.3Very high96Very high81 Ų8153.6 Ų53.638%0.37528%0.276SS..Hα-helixtrans-67-50.3172.4-174-71.3000111.6S44 S81 L85 T86 E87S44-H83 PolarHBondContact OG-CE1 3.46Å; S44-H83 PolarHBondContact OG-NE2 3.38Å; S81-H83 PolarHBondContact O-N 2.74Å; S81-H83 VanDerWaalsContact O-N 3.1Å; H83-L85 VanDerWaalsContact C-N 3.32Å; H83-L85 PolarHBondContact O-N 3.18Å; H83-T86 WeakPolarHBondContact O-CB 3.22Å; H83-T86 PolarHBondContact O-N 2.86Å; H83-T86 VanDerWaalsContact O-N 3.11Å; H83-E87 PolarHBondContact O-N 2.86Å
84F96.8Very high95.9Very high1 Ų155.7 Ų55.70%0.00429%0.286CS..Hα-helixtrans-55-46.7175.6174.6-89.2000111.8C40 G47 L50 L51 L54 F73 L76 S81 T86 E87 L88C40-F84 WeakPolarHBondContact SG-CB 3.38Å; C40-F84 WeakPolarHBondContact SG-CG 3.23Å; G47-F84 WeakPolarHBondContact O-CD2 3.15Å; L50-F84 HydrophobicContact CB-CE2 4.45Å; L50-F84 HydrophobicContact CD2-CE2 4.12Å; L50-F84 HydrophobicContact CG-CE2 4.08Å; L51-F84 HydrophobicContact CB-CD2 4.1Å; L51-F84 HydrophobicContact CB-CE2 3.76Å; L51-F84 HydrophobicContact CD1-CE2 4.09Å; L51-F84 HydrophobicContact CD1-CZ 4.2Å; L51-F84 HydrophobicContact CG-CE2 4.47Å; L54-F84 HydrophobicContact CD1-CZ 4.41Å; F73-F84 HydrophobicContact CD1-CE1 4.34Å; F73-F84 HydrophobicContact CD1-CZ 4.01Å; F73-F84 AromaticContact CE1-CZ 3.87Å; F73-F84 HydrophobicContact CE1-CZ 3.87Å; L76-F84 HydrophobicContact CB-CD1 4.35Å; L76-F84 HydrophobicContact CB-CE1 3.73Å; L76-F84 HydrophobicContact CB-CZ 4.42Å; L76-F84 HydrophobicContact CD1-CE1 3.62Å; L76-F84 HydrophobicContact CD1-CE2 4.23Å; L76-F84 HydrophobicContact CD1-CZ 3.44Å; L76-F84 VanDerWaalsContact CD1-CZ 3.44Å; L76-F84 HydrophobicContact CG-CE1 4.25Å; S81-F84 WeakPolarHBondContact O-CB 3.41Å; S81-F84 PolarHBondContact O-N 3.37Å; S81-F84 WeakPolarHBondContact OG-CB 3.07Å; S81-F84 PolarHBondContact OG-N 3.19Å; F84-T86 VanDerWaalsContact C-N 3.29Å; F84-T86 PolarHBondContact O-N 3.36Å; F84-E87 PolarHBondContact O-N 2.92Å; F84-L88 HydrophobicContact CE1-CD2 3.91Å; F84-L88 HydrophobicContact CZ-CD2 4.49Å; F84-L88 WeakPolarHBondContact O-CB 3.04Å; F84-L88 PolarHBondContact O-N 2.96Å
85L96Very high95.9Very high21 Ų2153.4 Ų53.411%0.1127%0.274CS..Hα-helixtrans-66.6-29.3178.6-64.6177.8000113.4S81 H83 L88 R89 L128S81-L85 PolarHBondContact O-N 2.85Å; H83-L85 VanDerWaalsContact C-N 3.32Å; H83-L85 PolarHBondContact O-N 3.18Å; L85-L88 HydrophobicContact CD2-CD2 4.41Å; L85-R89 WeakPolarHBondContact O-CG 3.42Å; L85-R89 PolarHBondContact O-N 3.14Å; L85-R89 VanDerWaalsContact O-N 3.14Å; L85-R89 PolarHBondContact O-NH1 2.97Å; L85-L128 HydrophobicContact CD2-CD2 3.97Å
86T94.9Very high95.9Very high66 Ų6657 Ų5741%0.40529%0.291SS..Hα-helixtrans-69-47.3174.2-58.60000110.6K82 H83 F84 R89 R90K82-T86 WeakPolarHBondContact O-CB 3.3Å; K82-T86 PolarHBondContact O-N 2.87Å; K82-T86 VanDerWaalsContact O-N 3.12Å; K82-T86 PolarHBondContact O-OG1 3.34Å; H83-T86 WeakPolarHBondContact O-CB 3.22Å; H83-T86 PolarHBondContact O-N 2.86Å; H83-T86 VanDerWaalsContact O-N 3.11Å; F84-T86 VanDerWaalsContact C-N 3.29Å; F84-T86 PolarHBondContact O-N 3.36Å; T86-R89 PolarHBondContact O-N 3.49Å; T86-R90 WeakPolarHBondContact O-CG 3.44Å; T86-R90 PolarHBondContact O-N 3.2Å
87E95Very high95.8Very high49 Ų4962.4 Ų62.423%0.22932%0.316CS..Hα-helixtrans-69.9-31.9178.1-63.7-59.811300112.5L51 H83 F84 R90 N91L51-E87 HydrophobicContact CD2-CB 3.54Å; H83-E87 PolarHBondContact O-N 2.86Å; F84-E87 PolarHBondContact O-N 2.92Å; E87-R90 WeakPolarHBondContact O-CB 3.28Å; E87-R90 PolarHBondContact O-N 3.12Å; E87-R90 WeakPolarHBondContact OE1-CD 3.3Å; E87-R90 IonicContact OE1-CZ 3.25Å; E87-R90 IonicContact OE1-NE 3.63Å; E87-R90 IonicContact OE1-NH1 2.92Å; E87-R90 PolarHBondContact OE1-NH1 3.17Å; E87-N91 PolarHBondContact O-N 3.26Å; E87-N91 VanDerWaalsContact O-N 3.11Å; E87-N91 PolarHBondContact O-ND2 3.49Å
88L96.8Very high95.9Very high0 Ų061.5 Ų61.50%031%0.31CS..Hα-helixtrans-64.1-38.5172-178.759000111.9L51 L55 F73 F84 L85 R90 N91 S92 I95 L128L51-L88 HydrophobicContact CD1-CB 4.06Å; L51-L88 HydrophobicContact CD1-CD1 3.65Å; L51-L88 HydrophobicContact CD1-CG 4.41Å; L55-L88 HydrophobicContact CD2-CD1 4.44Å; F73-L88 HydrophobicContact CB-CD2 4.41Å; F73-L88 HydrophobicContact CD1-CD1 3.89Å; F73-L88 HydrophobicContact CD1-CD2 3.6Å; F73-L88 HydrophobicContact CD1-CG 4.43Å; F73-L88 HydrophobicContact CE1-CD1 3.62Å; F73-L88 HydrophobicContact CE1-CD2 4.1Å; F73-L88 HydrophobicContact CE2-CD1 4.41Å; F73-L88 HydrophobicContact CG-CD1 4.4Å; F73-L88 HydrophobicContact CG-CD2 4.17Å; F73-L88 HydrophobicContact CZ-CD1 3.9Å; F84-L88 HydrophobicContact CE1-CD2 3.91Å; F84-L88 HydrophobicContact CZ-CD2 4.49Å; F84-L88 WeakPolarHBondContact O-CB 3.04Å; F84-L88 PolarHBondContact O-N 2.96Å; L85-L88 HydrophobicContact CD2-CD2 4.41Å; L88-R90 VanDerWaalsContact C-N 3.34Å; L88-R90 PolarHBondContact O-N 3.24Å; L88-N91 CarbonylContact O-C 3.47Å; L88-N91 PolarHBondContact O-N 3.08Å; L88-S92 PolarHBondContact O-N 3.33Å; L88-I95 HydrophobicContact CD1-CD1 3.97Å; L88-I95 HydrophobicContact CG-CD1 4.24Å; L88-L128 HydrophobicContact CD2-CD1 4Å; L88-L128 HydrophobicContact CD2-CD2 4.1Å; L88-L128 HydrophobicContact CG-CD1 3.86Å; L88-L128 HydrophobicContact CG-CD2 4.42Å
89R96.6Very high96Very high82 Ų8259.8 Ų59.831%0.30929%0.288SS..Hα-helixtrans-64.5-35172.1-72.6-174.3-155.398.9-9.8112.8L85 T86 N91 S92 L128 F129L85-R89 WeakPolarHBondContact O-CG 3.42Å; L85-R89 PolarHBondContact O-N 3.14Å; L85-R89 VanDerWaalsContact O-N 3.14Å; L85-R89 PolarHBondContact O-NH1 2.97Å; T86-R89 PolarHBondContact O-N 3.49Å; R89-N91 VanDerWaalsContact C-N 3.27Å; R89-N91 PolarHBondContact O-N 3.04Å; R89-S92 WeakPolarHBondContact O-CB 3.27Å; R89-S92 PolarHBondContact O-N 3.06Å; R89-S92 PolarHBondContact O-OG 3.43Å; R89-L128 HydrophobicContact CG-CB 4.2Å; R89-L128 HydrophobicContact CG-CD2 4.21Å; R89-L128 PolarHBondContact NE-O 3.43Å; R89-F129 HydrophobicContact CB-CE1 4.25Å; R89-F129 HydrophobicContact CB-CZ 4.48Å; R89-F129 HydrophobicContact CG-CE1 3.96Å; R89-F129 HydrophobicContact CG-CZ 4.32Å
90R96.4Very high96.1Very high180 Ų18060.7 Ų60.768%0.67930%0.295SS*.Hα-helixtrans-65.6-33.2174.8-61.8175.499.8136.610.5112.2T86 E87 L88 S92T86-R90 WeakPolarHBondContact O-CG 3.44Å; T86-R90 PolarHBondContact O-N 3.2Å; E87-R90 WeakPolarHBondContact O-CB 3.28Å; E87-R90 PolarHBondContact O-N 3.12Å; E87-R90 WeakPolarHBondContact OE1-CD 3.3Å; E87-R90 IonicContact OE1-CZ 3.25Å; E87-R90 IonicContact OE1-NE 3.63Å; E87-R90 IonicContact OE1-NH1 2.92Å; E87-R90 PolarHBondContact OE1-NH1 3.17Å; L88-R90 VanDerWaalsContact C-N 3.34Å; L88-R90 PolarHBondContact O-N 3.24Å; R90-S92 VanDerWaalsContact C-N 3.31Å
91N96.2Very high96.2Very high50 Ų5062.2 Ų62.227%0.26730%0.297SS..THydrogen-bonded Turntrans-95.627.7178.3-68-80.2000112.4L55 E87 L88 R89 T93 F94L55-N91 HydrophobicContact CD1-CB 3.56Å; L55-N91 HydrophobicContact CD2-CB 4.46Å; E87-N91 PolarHBondContact O-N 3.26Å; E87-N91 VanDerWaalsContact O-N 3.11Å; E87-N91 PolarHBondContact O-ND2 3.49Å; L88-N91 CarbonylContact O-C 3.47Å; L88-N91 PolarHBondContact O-N 3.08Å; R89-N91 VanDerWaalsContact C-N 3.27Å; R89-N91 PolarHBondContact O-N 3.04Å; N91-T93 PolarHBondContact O-N 2.99Å; N91-F94 HydrophobicContact CB-CD2 4.08Å; N91-F94 HydrophobicContact CB-CE2 4.33Å; N91-F94 WeakPolarHBondContact O-CD2 3.25Å; N91-F94 PolarHBondContact O-N 3.31Å
92S95.3Very high96.2Very high22 Ų2265 Ų6515%0.15432%0.317CS..Hα-helixtrans-68.5-13.2-176.347.40000114.6L88 R89 R90 F94 I95 Q96L88-S92 PolarHBondContact O-N 3.33Å; R89-S92 WeakPolarHBondContact O-CB 3.27Å; R89-S92 PolarHBondContact O-N 3.06Å; R89-S92 PolarHBondContact O-OG 3.43Å; R90-S92 VanDerWaalsContact C-N 3.31Å; S92-F94 VanDerWaalsContact C-N 3.3Å; S92-F94 PolarHBondContact O-N 2.98Å; S92-I95 WeakPolarHBondContact O-CB 3.42Å; S92-I95 PolarHBondContact O-N 3.13Å; S92-I95 VanDerWaalsContact O-N 3.12Å; S92-Q96 WeakPolarHBondContact O-CG 3.43Å; S92-Q96 PolarHBondContact O-N 3.45Å
93T96.9Very high96.2Very high73 Ų7358.1 Ų58.145%0.44830%0.298SS..Hα-helixtrans-56.4-39.8171.546.10000112.8N91 I95 Q96 Q97N91-T93 PolarHBondContact O-N 2.99Å; T93-I95 VanDerWaalsContact C-N 3.31Å; T93-I95 PolarHBondContact O-N 3.46Å; T93-Q96 PolarHBondContact O-N 3.3Å; T93-Q97 WeakPolarHBondContact O-CG 3.38Å; T93-Q97 PolarHBondContact O-N 3.05Å
94F98Very high96.1Very high44 Ų4457.9 Ų57.919%0.19331%0.31CS..Hα-helixtrans-67.4-33176.9-61.2-77.3000112.2L55 L58 Q59 N91 S92 A98L55-F94 HydrophobicContact CB-CD2 4.44Å; L55-F94 HydrophobicContact CD1-CD2 4.07Å; L55-F94 HydrophobicContact CD1-CE2 4.15Å; L55-F94 HydrophobicContact CD2-CB 3.9Å; L55-F94 HydrophobicContact CD2-CD2 3.77Å; L55-F94 HydrophobicContact CD2-CG 4.03Å; L55-F94 HydrophobicContact CG-CD2 4.31Å; L58-F94 HydrophobicContact CD2-CB 4.04Å; Q59-F94 VanDerWaalsContact CD-CE1 3.47Å; Q59-F94 HydrophobicContact CG-CD1 3.95Å; Q59-F94 HydrophobicContact CG-CE1 4Å; N91-F94 HydrophobicContact CB-CD2 4.08Å; N91-F94 HydrophobicContact CB-CE2 4.33Å; N91-F94 WeakPolarHBondContact O-CD2 3.25Å; N91-F94 PolarHBondContact O-N 3.31Å; S92-F94 VanDerWaalsContact C-N 3.3Å; S92-F94 PolarHBondContact O-N 2.98Å; F94-A98 WeakPolarHBondContact O-CB 3.47Å; F94-A98 PolarHBondContact O-N 3.01Å
95I97.8Very high95.7Very high3 Ų361.9 Ų61.92%0.01534%0.336CS..Hα-helixtrans-71.1-41.4175.1-55165.8000109.7L88 S92 T93 A98 S99 A121 V124 A125 L128L88-I95 HydrophobicContact CD1-CD1 3.97Å; L88-I95 HydrophobicContact CG-CD1 4.24Å; S92-I95 WeakPolarHBondContact O-CB 3.42Å; S92-I95 PolarHBondContact O-N 3.13Å; S92-I95 VanDerWaalsContact O-N 3.12Å; T93-I95 VanDerWaalsContact C-N 3.31Å; T93-I95 PolarHBondContact O-N 3.46Å; I95-A98 PolarHBondContact O-N 3.08Å; I95-S99 WeakPolarHBondContact O-CB 3.46Å; I95-S99 PolarHBondContact O-N 2.97Å; I95-A121 HydrophobicContact CG2-CB 4.35Å; I95-A121 WeakPolarHBondContact CG2-O 3.24Å; I95-V124 HydrophobicContact CD1-CG1 3.78Å; I95-V124 HydrophobicContact CG1-CG1 4.31Å; I95-V124 HydrophobicContact CG2-CB 4.17Å; I95-V124 HydrophobicContact CG2-CG1 4.16Å; I95-A125 HydrophobicContact CG2-CB 4.26Å; I95-L128 HydrophobicContact CD1-CD1 3.45Å; I95-L128 VanDerWaalsContact CD1-CD1 3.45Å
96Q96.9Very high95.4Very high115 Ų11563.5 Ų63.554%0.53735%0.345SS..Hα-helixtrans-61.2-44.9173.9-70.7171.4-14.900111.6S92 T93 A98 S99 I100S92-Q96 WeakPolarHBondContact O-CG 3.43Å; S92-Q96 PolarHBondContact O-N 3.45Å; T93-Q96 PolarHBondContact O-N 3.3Å; Q96-A98 VanDerWaalsContact C-N 3.35Å; Q96-A98 PolarHBondContact O-N 2.91Å; Q96-S99 PolarHBondContact O-N 3.31Å; Q96-S99 VanDerWaalsContact O-N 3.12Å; Q96-S99 PolarHBondContact O-OG 3.36Å; Q96-I100 PolarHBondContact O-N 3.4Å
97Q97.1Very high95.1Very high114 Ų11466.5 Ų66.553%0.53337%0.366SS..Hα-helixtrans-59.1-43.8173.3-73.8170.6-22.300112.1T93 S99 I100 Y101T93-Q97 WeakPolarHBondContact O-CG 3.38Å; T93-Q97 PolarHBondContact O-N 3.05Å; Q97-S99 VanDerWaalsContact C-N 3.29Å; Q97-S99 PolarHBondContact O-N 3.43Å; Q97-I100 WeakPolarHBondContact O-CG1 3.27Å; Q97-I100 PolarHBondContact O-N 3.36Å; Q97-Y101 PolarHBondContact O-N 2.9Å
98A97.6Very high94.9Very high6 Ų669.9 Ų69.95%0.0539%0.389CS..Hα-helixtrans-65.5-31.1175.300000112.9L58 L70 F94 I95 Q96 I100 Y101 A121L58-A98 HydrophobicContact CD1-CB 4.04Å; L58-A98 HydrophobicContact CD2-CB 4.36Å; L58-A98 HydrophobicContact CG-CB 4.43Å; L70-A98 HydrophobicContact CD1-CB 4.26Å; L70-A98 HydrophobicContact CD2-CB 4.29Å; F94-A98 WeakPolarHBondContact O-CB 3.47Å; F94-A98 PolarHBondContact O-N 3.01Å; I95-A98 PolarHBondContact O-N 3.08Å; Q96-A98 VanDerWaalsContact C-N 3.35Å; Q96-A98 PolarHBondContact O-N 2.91Å; A98-I100 PolarHBondContact O-N 3.25Å; A98-Y101 WeakPolarHBondContact O-CB 3.4Å; A98-Y101 PolarHBondContact O-N 3.49Å; A98-A121 HydrophobicContact CB-CB 3.76Å
99S97Very high94.5Very high27 Ų2774.1 Ų74.119%0.18941%0.409CS..Hα-helixtrans-70.5-15.3178.576.90000114.6I95 Q96 Q97 R118I95-S99 WeakPolarHBondContact O-CB 3.46Å; I95-S99 PolarHBondContact O-N 2.97Å; Q96-S99 PolarHBondContact O-N 3.31Å; Q96-S99 VanDerWaalsContact O-N 3.12Å; Q96-S99 PolarHBondContact O-OG 3.36Å; Q97-S99 VanDerWaalsContact C-N 3.29Å; Q97-S99 PolarHBondContact O-N 3.43Å; S99-R118 WeakPolarHBondContact O-CB 3.27Å; S99-R118 WeakPolarHBondContact O-CD 3.5Å; S99-R118 VanDerWaalsContact O-CG 3.32Å; S99-R118 WeakPolarHBondContact O-CG 3.3Å
100I96.6Very high94.3Very high127 Ų12770.9 Ų70.965%0.65140%0.401SS*.THydrogen-bonded Turntrans-114.61417463.6173.3000112.7Q96 Q97 A98 S102Q96-I100 PolarHBondContact O-N 3.4Å; Q97-I100 WeakPolarHBondContact O-CG1 3.27Å; Q97-I100 PolarHBondContact O-N 3.36Å; A98-I100 PolarHBondContact O-N 3.25Å; I100-S102 PolarHBondContact O-N 3.33Å
101Y97.1Very high94.2Very high43 Ų4363.7 Ų63.717%0.16938%0.377CS..  trans-64.9132.8-174.8-177.7-119.1000112.5K66 Q97 A98 Y114 V117 R118K66-Y101 HydrophobicContact CD-CD1 3.72Å; K66-Y101 HydrophobicContact CD-CD2 4.19Å; K66-Y101 HydrophobicContact CD-CE1 3.64Å; K66-Y101 HydrophobicContact CD-CE2 4.16Å; K66-Y101 HydrophobicContact CD-CG 3.99Å; Q97-Y101 PolarHBondContact O-N 2.9Å; A98-Y101 WeakPolarHBondContact O-CB 3.4Å; A98-Y101 PolarHBondContact O-N 3.49Å; Y101-Y114 AromaticContact CD1-CD1 3.63Å; Y101-Y114 HydrophobicContact CD1-CD1 3.63Å; Y101-Y114 HydrophobicContact CD1-CE1 4.12Å; Y101-Y114 AromaticContact CE1-CD1 3.44Å; Y101-Y114 HydrophobicContact CE1-CD1 3.44Å; Y101-Y114 VanDerWaalsContact CE1-CD1 3.44Å; Y101-Y114 AromaticContact CE1-CE1 3.47Å; Y101-Y114 HydrophobicContact CE1-CE1 3.47Å; Y101-Y114 VanDerWaalsContact CE1-CE1 3.47Å; Y101-Y114 HydrophobicContact CE2-CE1 4.42Å; Y101-Y114 HydrophobicContact CG-CD1 4.38Å; Y101-Y114 AromaticContact CZ-CE1 3.64Å; Y101-V117 HydrophobicContact CD1-CB 4.1Å; Y101-V117 HydrophobicContact CD1-CG1 3.74Å; Y101-V117 HydrophobicContact CD1-CG2 4.35Å; Y101-V117 HydrophobicContact CG-CG1 4.29Å; Y101-R118 VanDerWaalsContact O-CD 3.27Å; Y101-R118 WeakPolarHBondContact O-CD 3.31Å; Y101-R118 WeakPolarHBondContact O-CG 3.32Å; Y101-R118 PolarHBondContact O-NH1 2.74Å
102S95.2Very high94.1Very high78 Ų7862.6 Ų62.655%0.54538%0.375SS..  trans-153168.5-176.7-160.20000110.4I100 Y114I100-S102 PolarHBondContact O-N 3.33Å; S102-Y114 VanDerWaalsContact C-CD1 3.47Å; S102-Y114 VanDerWaalsContact C-CE1 3.48Å
103G91.9Very high94Very high39 Ų3962.2 Ų62.240%0.40237%0.372SS..  trans-174.3-166.9-177.800000111.9
104A91.4Very high93.9Very high75 Ų7560.4 Ų60.462%0.6236%0.357SS*.SBendtrans-67.2142.1173.100000110.4D106 Y114A104-D106 PolarHBondContact O-N 2.71Å; A104-Y114 VanDerWaalsContact O-CE2 3.25Å; A104-Y114 WeakPolarHBondContact O-CE2 3.26Å; A104-Y114 PolarHBondContact O-OH 3.06Å
105P89.5Confident93.9Very high85 Ų8560 Ų6055%0.55236%0.355SS*.PPolyproline II helixtrans-63.9136.3179.226.5-34000111.3
106D89Confident93.9Very high55 Ų5565 Ų6529%0.29438%0.377SS..BIsolated β-bridgetrans-65.3138.5175.1176.7-106000110.9A104 V108 H109 G110A104-D106 PolarHBondContact O-N 2.71Å; D106-V108 PolarHBondContact O-N 2.72Å; D106-V108 WeakPolarHBondContact OD1-CA 2.89Å; D106-V108 PolarHBondContact OD1-N 2.8Å; D106-H109 HydrophobicContact CB-CB 4.3Å; D106-H109 WeakPolarHBondContact OD1-CB 3Å; D106-H109 IonicContact OD1-CG 2.87Å; D106-H109 PolarHBondContact OD1-N 2.88Å; D106-H109 IonicContact OD1-ND1 3.27Å; D106-H109 PolarHBondContact OD1-ND1 2.95Å; D106-G110 PolarHBondContact N-O 2.9Å; D106-G110 WeakPolarHBondContact O-CA 3.28Å; D106-G110 PolarHBondContact O-N 3.23Å
107P88.6Confident94Very high130 Ų13059.6 Ų59.684%0.84435%0.352SS*.THydrogen-bonded Turntrans-61.2-15.2-178.3-26.636.3000116.1
108V90.9Very high94Very high120 Ų12055 Ų5573%0.72733%0.33SS*.THydrogen-bonded Turntrans-115.3-36.7-179.3-178.30000111.8D106D106-V108 PolarHBondContact O-N 2.72Å; D106-V108 WeakPolarHBondContact OD1-CA 2.89Å; D106-V108 PolarHBondContact OD1-N 2.8Å
109H88.7Confident94.1Very high88 Ų8857.2 Ų57.241%0.40735%0.345SS..THydrogen-bonded Turntrans-114.8-0.1-171.3-51.297.4000114.5D106 T111 A112D106-H109 HydrophobicContact CB-CB 4.3Å; D106-H109 WeakPolarHBondContact OD1-CB 3Å; D106-H109 IonicContact OD1-CG 2.87Å; D106-H109 PolarHBondContact OD1-N 2.88Å; D106-H109 IonicContact OD1-ND1 3.27Å; D106-H109 PolarHBondContact OD1-ND1 2.95Å; H109-T111 PolarHBondContact O-N 2.94Å; H109-A112 VanDerWaalsContact O-CB 3.23Å; H109-A112 WeakPolarHBondContact O-CB 3.07Å; H109-A112 PolarHBondContact O-N 3.27Å; H109-A112 VanDerWaalsContact O-N 3.08Å
110G92.9Very high94.1Very high14 Ų1456.5 Ų56.514%0.14434%0.34CS..BIsolated β-bridgetrans55.8-127.6-179.900000112.6D106D106-G110 PolarHBondContact N-O 2.9Å; D106-G110 WeakPolarHBondContact O-CA 3.28Å; D106-G110 PolarHBondContact O-N 3.23Å
111T93.4Very high94.2Very high30 Ų3050.5 Ų50.518%0.18431%0.309CS..THydrogen-bonded Turntrans-86.7-2.9178.9570000114.1H109 L113 Y114 Q115H109-T111 PolarHBondContact O-N 2.94Å; T111-L113 VanDerWaalsContact C-N 3.32Å; T111-L113 PolarHBondContact O-N 2.57Å; T111-Y114 WeakPolarHBondContact O-CB 3.44Å; T111-Y114 PolarHBondContact O-N 3.45Å; T111-Y114 VanDerWaalsContact O-N 3.08Å; T111-Q115 PolarHBondContact O-N 3.12Å
112A93.8Very high94.3Very high27 Ų2752.3 Ų52.322%0.22332%0.319CS..Hα-helixtrans-64.1-31.6-168.300000114H109 K116H109-A112 VanDerWaalsContact O-CB 3.23Å; H109-A112 WeakPolarHBondContact O-CB 3.07Å; H109-A112 PolarHBondContact O-N 3.27Å; H109-A112 VanDerWaalsContact O-N 3.08Å; A112-K116 WeakPolarHBondContact O-CD 3.09Å; A112-K116 VanDerWaalsContact O-CG 3.25Å; A112-K116 WeakPolarHBondContact O-CG 3.44Å; A112-K116 PolarHBondContact O-N 3.3Å
113L93.3Very high94.4Very high14 Ų1451.6 Ų51.67%0.07331%0.307CS..Hα-helixtrans-67.5-42.5174.3-78170.5000111.9C63 T111 K116 V117C63-L113 HydrophobicContact CB-CB 3.88Å; T111-L113 VanDerWaalsContact C-N 3.32Å; T111-L113 PolarHBondContact O-N 2.57Å; L113-K116 PolarHBondContact O-N 2.87Å; L113-V117 PolarHBondContact O-N 3.02Å; L113-V117 VanDerWaalsContact O-N 3.13Å
114Y96.3Very high94.7Very high35 Ų3549.7 Ų49.714%0.13729%0.288CS..Hα-helixtrans-63.6-42.9174.6-63.6-82.9000111.5Y101 S102 A104 T111 K116 V117 R118Y101-Y114 AromaticContact CD1-CD1 3.63Å; Y101-Y114 HydrophobicContact CD1-CD1 3.63Å; Y101-Y114 HydrophobicContact CD1-CE1 4.12Å; Y101-Y114 AromaticContact CE1-CD1 3.44Å; Y101-Y114 HydrophobicContact CE1-CD1 3.44Å; Y101-Y114 VanDerWaalsContact CE1-CD1 3.44Å; Y101-Y114 AromaticContact CE1-CE1 3.47Å; Y101-Y114 HydrophobicContact CE1-CE1 3.47Å; Y101-Y114 VanDerWaalsContact CE1-CE1 3.47Å; Y101-Y114 HydrophobicContact CE2-CE1 4.42Å; Y101-Y114 HydrophobicContact CG-CD1 4.38Å; Y101-Y114 AromaticContact CZ-CE1 3.64Å; S102-Y114 VanDerWaalsContact C-CD1 3.47Å; S102-Y114 VanDerWaalsContact C-CE1 3.48Å; A104-Y114 VanDerWaalsContact O-CE2 3.25Å; A104-Y114 WeakPolarHBondContact O-CE2 3.26Å; A104-Y114 PolarHBondContact O-OH 3.06Å; T111-Y114 WeakPolarHBondContact O-CB 3.44Å; T111-Y114 PolarHBondContact O-N 3.45Å; T111-Y114 VanDerWaalsContact O-N 3.08Å; Y114-K116 VanDerWaalsContact C-N 3.34Å; Y114-K116 PolarHBondContact O-N 3.26Å; Y114-V117 WeakPolarHBondContact O-CB 3.48Å; Y114-V117 PolarHBondContact O-N 3.18Å; Y114-V117 VanDerWaalsContact O-N 3.15Å; Y114-R118 PolarHBondContact O-N 3.47Å
115Q97.3Very high94.9Very high34 Ų3447.6 Ų47.616%0.15927%0.27CS..Hα-helixtrans-61.2-41.6175.8-17159.858.100112T111 V117 R118 S119T111-Q115 PolarHBondContact O-N 3.12Å; Q115-V117 VanDerWaalsContact C-N 3.29Å; Q115-V117 PolarHBondContact O-N 2.96Å; Q115-R118 PolarHBondContact O-N 3.31Å; Q115-S119 PolarHBondContact NE2-OG 3.46Å; Q115-S119 WeakPolarHBondContact O-CB 3.45Å; Q115-S119 PolarHBondContact O-N 2.96Å; Q115-S119 PolarHBondContact O-OG 3.24Å
116K97.4Very high95.3Very high110 Ų11049.2 Ų49.248%0.47827%0.266SS..Hα-helixtrans-60.1-37.2174.8-73.5163.3-174.5169.80112.2L67 A112 L113 Y114 A120L67-K116 HydrophobicContact CD1-CB 4.25Å; L67-K116 WeakPolarHBondContact CD1-O 3.49Å; L67-K116 HydrophobicContact CD2-CB 4.09Å; A112-K116 WeakPolarHBondContact O-CD 3.09Å; A112-K116 VanDerWaalsContact O-CG 3.25Å; A112-K116 WeakPolarHBondContact O-CG 3.44Å; A112-K116 PolarHBondContact O-N 3.3Å; L113-K116 PolarHBondContact O-N 2.87Å; Y114-K116 VanDerWaalsContact C-N 3.34Å; Y114-K116 PolarHBondContact O-N 3.26Å; K116-A120 VanDerWaalsContact O-CB 3.23Å; K116-A120 WeakPolarHBondContact O-CB 3.48Å; K116-A120 PolarHBondContact O-N 2.76Å; K116-A120 VanDerWaalsContact O-N 3.12Å
117V98.3Very high95.6Very high0 Ų049.4 Ų49.40%027%0.266CS..Hα-helixtrans-66.5-50.3173.6173.80000110.9C63 K66 L67 L70 Y101 L113 Y114 Q115 S119 A120 A121C63-V117 HydrophobicContact CB-CG2 4.44Å; C63-V117 WeakPolarHBondContact O-CG2 3.48Å; K66-V117 HydrophobicContact CB-CG1 3.9Å; K66-V117 HydrophobicContact CB-CG2 4.03Å; K66-V117 HydrophobicContact CD-CG1 4.18Å; L67-V117 HydrophobicContact CB-CG2 4.15Å; L70-V117 HydrophobicContact CD1-CG1 3.78Å; L70-V117 VanDerWaalsContact CD1-O 3.3Å; L70-V117 WeakPolarHBondContact CD1-O 3.22Å; Y101-V117 HydrophobicContact CD1-CB 4.1Å; Y101-V117 HydrophobicContact CD1-CG1 3.74Å; Y101-V117 HydrophobicContact CD1-CG2 4.35Å; Y101-V117 HydrophobicContact CG-CG1 4.29Å; L113-V117 PolarHBondContact O-N 3.02Å; L113-V117 VanDerWaalsContact O-N 3.13Å; Y114-V117 WeakPolarHBondContact O-CB 3.48Å; Y114-V117 PolarHBondContact O-N 3.18Å; Y114-V117 VanDerWaalsContact O-N 3.15Å; Q115-V117 VanDerWaalsContact C-N 3.29Å; Q115-V117 PolarHBondContact O-N 2.96Å; V117-S119 PolarHBondContact O-N 3.44Å; V117-A120 PolarHBondContact O-N 2.89Å; V117-A121 PolarHBondContact O-N 3.41Å
118R98.4Very high95.8Very high19 Ų1943.4 Ų43.47%0.07223%0.227CC..Hα-helixtrans-60.3-48.6-179-67.8-167.6-60.1-101.39.3112.4S99 Y101 Y114 Q115 A120 A121 Q122 D306S99-R118 WeakPolarHBondContact O-CB 3.27Å; S99-R118 WeakPolarHBondContact O-CD 3.5Å; S99-R118 VanDerWaalsContact O-CG 3.32Å; S99-R118 WeakPolarHBondContact O-CG 3.3Å; Y101-R118 VanDerWaalsContact O-CD 3.27Å; Y101-R118 WeakPolarHBondContact O-CD 3.31Å; Y101-R118 WeakPolarHBondContact O-CG 3.32Å; Y101-R118 PolarHBondContact O-NH1 2.74Å; Y114-R118 PolarHBondContact O-N 3.47Å; Q115-R118 PolarHBondContact O-N 3.31Å; R118-A120 VanDerWaalsContact C-N 3.34Å; R118-A120 PolarHBondContact O-N 2.92Å; R118-A121 PolarHBondContact O-N 3.26Å; R118-A121 VanDerWaalsContact O-N 3.14Å; R118-Q122 WeakPolarHBondContact O-CG 3.32Å; R118-Q122 PolarHBondContact O-N 2.91Å; R118-D306 VanDerWaalsContact CD-OD2 3.3Å; R118-D306 WeakPolarHBondContact CD-OD2 3.39Å; R118-D306 IonicContact CZ-OD2 2.78Å; R118-D306 IonicContact NE-OD1 2.88Å; R118-D306 PolarHBondContact NE-OD1 3.27Å; R118-D306 IonicContact NE-OD2 3.9Å; R118-D306 PolarHBondContact NE-OD2 2.98Å; R118-D306 IonicContact NH2-OD2 3.51Å
119S98.3Very high95.8Very high52 Ų5242.7 Ų42.736%0.36421%0.214SC..Hα-helixtrans-64.7-34.7177.7-61.10000112.9Q115 V117 E123Q115-S119 PolarHBondContact NE2-OG 3.46Å; Q115-S119 WeakPolarHBondContact O-CB 3.45Å; Q115-S119 PolarHBondContact O-N 2.96Å; Q115-S119 PolarHBondContact O-OG 3.24Å; V117-S119 PolarHBondContact O-N 3.44Å; S119-E123 PolarHBondContact O-N 2.93Å
120A98.6Very high95.6Very high12 Ų1242.8 Ų42.810%0.09922%0.222CC..Hα-helixtrans-67.7-36.4172.700000112.5L67 L70 I74 K116 V117 R118 E123 V124L67-A120 HydrophobicContact CD1-CB 3.9Å; L70-A120 HydrophobicContact CB-CB 3.89Å; L70-A120 HydrophobicContact CD1-CB 4.05Å; I74-A120 HydrophobicContact CD1-CB 4.49Å; K116-A120 VanDerWaalsContact O-CB 3.23Å; K116-A120 WeakPolarHBondContact O-CB 3.48Å; K116-A120 PolarHBondContact O-N 2.76Å; K116-A120 VanDerWaalsContact O-N 3.12Å; V117-A120 PolarHBondContact O-N 2.89Å; R118-A120 VanDerWaalsContact C-N 3.34Å; R118-A120 PolarHBondContact O-N 2.92Å; A120-E123 PolarHBondContact O-N 2.87Å; A120-V124 WeakPolarHBondContact O-CG2 3.27Å; A120-V124 PolarHBondContact O-N 3.14Å
121A98.6Very high93.8Very high0 Ų047.9 Ų47.90%025%0.245CC..Hα-helixtrans-70.8-37.3175.700000112.6L70 I95 A98 V117 R118 E123 V124 A125L70-A121 HydrophobicContact CD1-CB 3.91Å; L70-A121 HydrophobicContact CD2-CB 3.92Å; I95-A121 HydrophobicContact CG2-CB 4.35Å; I95-A121 WeakPolarHBondContact CG2-O 3.24Å; A98-A121 HydrophobicContact CB-CB 3.76Å; V117-A121 PolarHBondContact O-N 3.41Å; R118-A121 PolarHBondContact O-N 3.26Å; R118-A121 VanDerWaalsContact O-N 3.14Å; A121-E123 VanDerWaalsContact C-N 3.33Å; A121-V124 PolarHBondContact O-N 3.48Å; A121-A125 WeakPolarHBondContact O-CB 3.42Å; A121-A125 PolarHBondContact O-N 3.22Å
122Q97.9Very high91.7Very high81 Ų8150.6 Ų50.638%0.37927%0.271SS..Hα-helixtrans-60.3-41.3170.7-70.4165.1-0.800111.4R118 A125 R126R118-Q122 WeakPolarHBondContact O-CG 3.32Å; R118-Q122 PolarHBondContact O-N 2.91Å; Q122-A125 PolarHBondContact O-N 3.5Å; Q122-R126 WeakPolarHBondContact O-CB 3.33Å; Q122-R126 PolarHBondContact O-N 3.07Å
123E98.1Very high89.4Confident63 Ų6356 Ų5629%0.29430%0.301SS..Hα-helixtrans-66.3-40.7175.5177.460.8-175.500112.7I74 S119 A120 A121 A125 R126 L127I74-E123 HydrophobicContact CD1-CB 4.1Å; I74-E123 HydrophobicContact CD1-CG 3.76Å; I74-E123 HydrophobicContact CG1-CG 4.08Å; S119-E123 PolarHBondContact O-N 2.93Å; A120-E123 PolarHBondContact O-N 2.87Å; A121-E123 VanDerWaalsContact C-N 3.33Å; E123-A125 VanDerWaalsContact C-N 3.35Å; E123-A125 PolarHBondContact O-N 3.29Å; E123-R126 VanDerWaalsContact CD-NH2 3.31Å; E123-R126 PolarHBondContact O-N 2.65Å; E123-R126 IonicContact OE1-CZ 2.72Å; E123-R126 IonicContact OE1-NE 3.71Å; E123-R126 IonicContact OE1-NH2 3.7Å; E123-R126 PolarHBondContact OE1-NH2 2.94Å; E123-R126 IonicContact OE2-CZ 3.25Å; E123-R126 IonicContact OE2-NE 3.52Å; E123-R126 PolarHBondContact OE2-NE 3.2Å; E123-R126 IonicContact OE2-NH2 2.65Å; E123-R126 PolarHBondContact OE2-NH2 2.54Å; E123-R126 VanDerWaalsContact OE2-NH2 3.15Å; E123-L127 HydrophobicContact CG-CD1 4.09Å; E123-L127 WeakPolarHBondContact O-CB 3.39Å; E123-L127 VanDerWaalsContact O-CG 3.31Å; E123-L127 WeakPolarHBondContact O-CG 3.48Å; E123-L127 PolarHBondContact O-N 2.77Å
124V98.1Very high86.5Confident0 Ų060 Ų600%033%0.33CS..Hα-helixtrans-60-45.5171.2178.10000110.7L70 F73 I74 I95 A120 A121 R126 L127 L128L70-V124 HydrophobicContact CD2-CG2 4.2Å; L70-V124 WeakPolarHBondContact O-CG2 3.41Å; F73-V124 HydrophobicContact CB-CG1 3.94Å; F73-V124 HydrophobicContact CB-CG2 3.81Å; I74-V124 HydrophobicContact CD1-CG2 4.4Å; I74-V124 HydrophobicContact CG1-CG2 3.55Å; I95-V124 HydrophobicContact CD1-CG1 3.78Å; I95-V124 HydrophobicContact CG1-CG1 4.31Å; I95-V124 HydrophobicContact CG2-CB 4.17Å; I95-V124 HydrophobicContact CG2-CG1 4.16Å; A120-V124 WeakPolarHBondContact O-CG2 3.27Å; A120-V124 PolarHBondContact O-N 3.14Å; A121-V124 PolarHBondContact O-N 3.48Å; V124-R126 PolarHBondContact O-N 2.94Å; V124-L127 PolarHBondContact O-N 2.79Å; V124-L128 HydrophobicContact CG1-CD1 3.75Å; V124-L128 HydrophobicContact CG1-CG 4.28Å; V124-L128 WeakPolarHBondContact O-CB 3.25Å; V124-L128 VanDerWaalsContact O-CG 3.31Å; V124-L128 WeakPolarHBondContact O-CG 3.38Å; V124-L128 PolarHBondContact O-N 2.78Å
125A96.6Very high83.8Confident30 Ų3064.5 Ų64.525%0.24836%0.361CS..Hα-helixtrans-61.5-44.5178.500000111.6I95 A121 Q122 E123 L128 F129I95-A125 HydrophobicContact CG2-CB 4.26Å; A121-A125 WeakPolarHBondContact O-CB 3.42Å; A121-A125 PolarHBondContact O-N 3.22Å; Q122-A125 PolarHBondContact O-N 3.5Å; E123-A125 VanDerWaalsContact C-N 3.35Å; E123-A125 PolarHBondContact O-N 3.29Å; A125-L128 PolarHBondContact O-N 3.25Å; A125-F129 HydrophobicContact CB-CD2 4.45Å; A125-F129 WeakPolarHBondContact O-CB 3.41Å; A125-F129 WeakPolarHBondContact O-CD2 3.35Å; A125-F129 PolarHBondContact O-N 3.05Å
126R96.1Very high80.8Confident120 Ų12071.2 Ų71.245%0.45339%0.39SS..Hα-helixtrans-56.9-52.5174.7-167.9-170.767.974.41.2111Q122 E123 V124 L128 F129 T130Q122-R126 WeakPolarHBondContact O-CB 3.33Å; Q122-R126 PolarHBondContact O-N 3.07Å; E123-R126 VanDerWaalsContact CD-NH2 3.31Å; E123-R126 PolarHBondContact O-N 2.65Å; E123-R126 IonicContact OE1-CZ 2.72Å; E123-R126 IonicContact OE1-NE 3.71Å; E123-R126 IonicContact OE1-NH2 3.7Å; E123-R126 PolarHBondContact OE1-NH2 2.94Å; E123-R126 IonicContact OE2-CZ 3.25Å; E123-R126 IonicContact OE2-NE 3.52Å; E123-R126 PolarHBondContact OE2-NE 3.2Å; E123-R126 IonicContact OE2-NH2 2.65Å; E123-R126 PolarHBondContact OE2-NH2 2.54Å; E123-R126 VanDerWaalsContact OE2-NH2 3.15Å; V124-R126 PolarHBondContact O-N 2.94Å; R126-L128 VanDerWaalsContact C-N 3.29Å; R126-L128 PolarHBondContact O-N 3.09Å; R126-F129 PolarHBondContact O-N 3.03Å; R126-T130 WeakPolarHBondContact CG-OG1 3.25Å; R126-T130 VanDerWaalsContact O-CB 3.25Å; R126-T130 WeakPolarHBondContact O-CB 3.33Å; R126-T130 PolarHBondContact O-N 2.88Å; R126-T130 PolarHBondContact O-OG1 3.3Å
127L96Very high77.9Confident58 Ų5871.9 Ų71.930%0.30440%0.399SS..Hα-helixtrans-62.5-31-179.8-70.4170.1000113.6I74 C77 E123 V124I74-L127 HydrophobicContact CB-CD1 4.35Å; I74-L127 HydrophobicContact CG1-CD1 4.39Å; I74-L127 HydrophobicContact CG2-CD1 3.87Å; C77-L127 HydrophobicContact CB-CB 3.82Å; C77-L127 HydrophobicContact CB-CD1 4.13Å; E123-L127 HydrophobicContact CG-CD1 4.09Å; E123-L127 WeakPolarHBondContact O-CB 3.39Å; E123-L127 VanDerWaalsContact O-CG 3.31Å; E123-L127 WeakPolarHBondContact O-CG 3.48Å; E123-L127 PolarHBondContact O-N 2.77Å; V124-L127 PolarHBondContact O-N 2.79Å
128L94Very high74.6Confident5 Ų578.2 Ų78.23%0.02644%0.443CS..Hα-helixtrans-81-26.7178.5-72.4174.6000114.6L85 L88 R89 I95 V124 A125 R126L85-L128 HydrophobicContact CD2-CD2 3.97Å; L88-L128 HydrophobicContact CD2-CD1 4Å; L88-L128 HydrophobicContact CD2-CD2 4.1Å; L88-L128 HydrophobicContact CG-CD1 3.86Å; L88-L128 HydrophobicContact CG-CD2 4.42Å; R89-L128 HydrophobicContact CG-CB 4.2Å; R89-L128 HydrophobicContact CG-CD2 4.21Å; R89-L128 PolarHBondContact NE-O 3.43Å; I95-L128 HydrophobicContact CD1-CD1 3.45Å; I95-L128 VanDerWaalsContact CD1-CD1 3.45Å; V124-L128 HydrophobicContact CG1-CD1 3.75Å; V124-L128 HydrophobicContact CG1-CG 4.28Å; V124-L128 WeakPolarHBondContact O-CB 3.25Å; V124-L128 VanDerWaalsContact O-CG 3.31Å; V124-L128 WeakPolarHBondContact O-CG 3.38Å; V124-L128 PolarHBondContact O-N 2.78Å; A125-L128 PolarHBondContact O-N 3.25Å; R126-L128 VanDerWaalsContact C-N 3.29Å; R126-L128 PolarHBondContact O-N 3.09Å
129F90.8Very high71.7Confident104 Ų10484.4 Ų84.446%0.45648%0.476SS..Hα-helixtrans-120.6-15.7-168.3-62.6-60.4000115.6R89 A125 R126 D131R89-F129 HydrophobicContact CB-CE1 4.25Å; R89-F129 HydrophobicContact CB-CZ 4.48Å; R89-F129 HydrophobicContact CG-CE1 3.96Å; R89-F129 HydrophobicContact CG-CZ 4.32Å; A125-F129 HydrophobicContact CB-CD2 4.45Å; A125-F129 WeakPolarHBondContact O-CB 3.41Å; A125-F129 WeakPolarHBondContact O-CD2 3.35Å; A125-F129 PolarHBondContact O-N 3.05Å; R126-F129 PolarHBondContact O-N 3.03Å; F129-D131 VanDerWaalsContact C-N 3.27Å; F129-D131 PolarHBondContact O-N 2.84Å
130T83.3Confident68.7Low91 Ų9184.4 Ų84.456%0.55848%0.479SS*.SBendtrans-68.6-26.5171.4-62.90000112.3R126 A132R126-T130 WeakPolarHBondContact CG-OG1 3.25Å; R126-T130 VanDerWaalsContact O-CB 3.25Å; R126-T130 WeakPolarHBondContact O-CB 3.33Å; R126-T130 PolarHBondContact O-N 2.88Å; R126-T130 PolarHBondContact O-OG1 3.3Å; T130-A132 PolarHBondContact O-N 2.96Å
131D56.4Low65.5Low120 Ų12090.3 Ų90.364%0.64252%0.516SS*.THydrogen-bonded Turntrans-79.243.7-175-158.235.4000113.9F129F129-D131 VanDerWaalsContact C-N 3.27Å; F129-D131 PolarHBondContact O-N 2.84Å
132A48.7Very low62.3Low88 Ų8897.7 Ų97.773%0.72755%0.551SS**THydrogen-bonded Turntrans-106.1-15.3171.400000112.8T130T130-A132 PolarHBondContact O-N 2.96Å
133V45Very low59.4Low141 Ų141100.8 Ų100.886%0.85558%0.575SS**SBendtrans-135.959.9-177.5-164.20000111.1
134S33.2Very low56.3Low97 Ų97104.3 Ų104.368%0.67860%0.601SS**  trans-145.1144.6155.5-166.90000110.2
135T38.5Very low53.3Low130 Ų130107.6 Ų107.680%0.79864%0.635SS**  trans-118.6157.3-17757.60000111
136K34.6Very low50.8Low175 Ų175112.4 Ų112.476%0.76166%0.664SS**  trans89109.4147.9-152.5173.1-175.41760118.5
137D35.4Very low47.8Very low123 Ų123111.3 Ų111.366%0.65868%0.681SS**  trans45.383.8137.8-44-25.7000119.2I139D137-I139 HydrophobicContact CB-CG1 4.43Å; D137-I139 PolarHBondContact O-N 2.89Å
138S30.2Very low44.8Very low133 Ų133114.1 Ų114.193%0.9371%0.705SS**  trans-76.592.7149.2-71.70000110A140S138-A140 PolarHBondContact O-N 3.36Å
139I37.3Very low42.1Very low150 Ų150120.7 Ų120.777%0.76975%0.745SS**  trans-67.4127.7170.5-64.3174.4000108.8D137D137-I139 HydrophobicContact CB-CG1 4.43Å; D137-I139 PolarHBondContact O-N 2.89Å
140A34.8Very low39.5Very low52 Ų52119.5 Ų119.543%0.4376%0.762SS.*  trans-73.2147.5177.700000111.7S138 H142S138-A140 PolarHBondContact O-N 3.36Å; A140-H142 PolarHBondContact O-CD2 3.35Å; A140-H142 VanDerWaalsContact O-CD2 3.31Å; A140-H142 PolarHBondContact O-N 3.16Å
141P32.2Very low37.4Very low135 Ų135124.8 Ų124.888%0.87778%0.783SS**  trans-72.795.1178.429.5-34.2000110.7
142H32Very low36.4Very low156 Ų156122.5 Ų122.572%0.72279%0.787SS**  trans-91.3128176.3-65.3-60.5000111.7A140 T144A140-H142 PolarHBondContact O-CD2 3.35Å; A140-H142 VanDerWaalsContact O-CD2 3.31Å; A140-H142 PolarHBondContact O-N 3.16Å; H142-T144 PolarHBondContact O-N 3.28Å
143T35.9Very low36Very low145 Ų145124.4 Ų124.489%0.8980%0.796SS**  trans-53.1115.4-176.2-49.90000113.9
144T33.7Very low35.6Very low137 Ų137122.9 Ų122.984%0.8480%0.798SS**  trans-92.1104.8167.933.60000111.4H142H142-T144 PolarHBondContact O-N 3.28Å
145G34.7Very low35.7Very low69 Ų69122.3 Ų122.371%0.71181%0.808SS**  trans-92.4138.2164.400000111.3
146P43.5Very low35.7Very low131 Ų131121.6 Ų121.685%0.85181%0.808SS**  trans-92148.717435.3-32.9000112.1
147A34.1Very low35.8Very low98 Ų98120.3 Ų120.381%0.8180%0.804SS**  trans-151.4118.9172.300000113
148S32.9Very low36.1Very low117 Ų117125 Ų12582%0.81881%0.813SS**  trans65.7152.2169.1-126.20000116.3
149V37.7Very low36.4Very low142 Ų142124.6 Ų124.686%0.86181%0.81SS**  cis-139.3149.36.1-1530000109.3
150G35.9Very low36.7Very low79 Ų79120.8 Ų120.881%0.81481%0.807SS**  trans168.5128.1168.600000113.6
151M38.4Very low37.3Very low202 Ų202125.6 Ų125.6100%0.99583%0.825SS**  trans-110.1133.4-173.2-175.2117.272.700112.1
152G35.5Very low37.9Very low72 Ų72127.7 Ų127.774%0.74282%0.823SS**  trans172.4123.5167.900000112.6
153S39.8Very low38.7Very low129 Ų129123.2 Ų123.290%0.90282%0.819SS**  trans-123.9121.4179.5-710000111.9
154A38Very low39.3Very low108 Ų108126.9 Ų126.989%0.89382%0.823SS**  trans-166.3152.415700000110.4
155G34.3Very low39.6Very low86 Ų86123.5 Ų123.589%0.88782%0.815SS**  trans97121168.600000115
156S38.4Very low39.9Very low115 Ų115131.7 Ų131.780%0.80483%0.826SS**  trans-118.4154.1173.6-178.70000110.5
157Q37.2Very low40.1Very low147 Ų147130.6 Ų130.669%0.68782%0.822SS**  trans93.4123.8169.7-54.5-147.242.200119.4
158R41.2Very low40.8Very low223 Ų223132.2 Ų132.284%0.84282%0.824SS**  trans53.1106138-60.6174-173-92.21.1118.7
159S37.5Very low40.7Very low124 Ų124130.1 Ų130.187%0.86782%0.821SS**  -145.8141.6120.6-166.50000110.5
160G44Very low40.8Very low69 Ų69133.5 Ų133.571%0.71182%0.824SS**  trans-169.185.2-17500000110.5
161L45.7Very low40.9Very low153 Ų153139 Ų13980%0.80183%0.829SS**  trans-146.8126.8175.1-86111.2000105.1
162Q46.5Very low40.6Very low180 Ų180133 Ų13384%0.84182%0.819SS**  cis60110.647.4-158.9167.311.600110.4
163G48.6Very low40.9Very low61 Ų61136.7 Ų136.763%0.62983%0.827SS**  cis115.7112.929.900000106.2G165G163-G165 PolarHBondContact O-N 2.94Å
164F48.7Very low41Very low223 Ų223133.1 Ų133.198%0.97881%0.81SS**PPolyproline II helixtrans-59.9123.5-154.1-89.7-100.6000114.1
165G38.6Very low41.9Very low66 Ų66135 Ų13568%0.6881%0.806SS**PPolyproline II helixtrans-71158.2-172.100000116G163G163-G165 PolarHBondContact O-N 2.94Å
166Y41.1Very low42.9Very low240 Ų240136 Ų13694%0.94179%0.79SS**PPolyproline II helixtrans-96.8147.4147.5-87.8-97.5000108.9
167S47.8Very low44.4Very low108 Ų108134.8 Ų134.876%0.75578%0.778SS**  trans-140.8165.8-176.5-59.50000109.9
168P49.3Very low46.1Very low132 Ų132133.9 Ų133.986%0.85778%0.778SS**  -128.3159.7-57.237-23.7000111.7
169G31.6Very low47.7Very low74 Ų74129.3 Ų129.376%0.76377%0.769SS**  trans-152.333.1-163.700000120.7
170K38.9Very low49.6Very low212 Ų212126.5 Ų126.592%0.92274%0.744SS**  trans61.3128.3172.5-66.2-177.9176.2178.60118
171Q37.5Very low51.1Low196 Ų196129.3 Ų129.392%0.91674%0.737SS**  trans-76.9146.8165.9-66.9163.1-88.200111.5
172G33Very low52.6Low75 Ų75126.7 Ų126.777%0.77372%0.723SS**  trans-141.9120.9158.400000108.2G174G172-G174 PolarHBondContact O-N 3.16Å
173T40.8Very low54.1Low150 Ų150124.8 Ų124.892%0.9271%0.714SS**  trans-76.3117.7-171.2-50.20000111.1
174G42.6Very low55.3Low53 Ų53127.3 Ų127.355%0.54671%0.707SS.*  trans-145.4125.7175.800000111.2G172 D176G172-G174 PolarHBondContact O-N 3.16Å; G174-D176 VanDerWaalsContact C-N 3.33Å; G174-D176 PolarHBondContact O-N 3.44Å
175N57.5Low56.5Low149 Ų149119.4 Ų119.480%0.79768%0.684SS**  trans-91.358.9-174.352-94.9000112.6T177N175-T177 PolarHBondContact O-N 2.79Å
176D53.6Low58.1Low106 Ų106119.1 Ų119.157%0.56768%0.675SS**  trans-65.794.1180-62.3-6000110.8G174G174-D176 VanDerWaalsContact C-N 3.33Å; G174-D176 PolarHBondContact O-N 3.44Å
177T69.9Low59.7Low90 Ų90113.6 Ų113.655%0.55266%0.658SS**  trans-60.3150.4-178.768.30000111.6N175 L179 D180N175-T177 PolarHBondContact O-N 2.79Å; T177-L179 PolarHBondContact O-N 2.71Å; T177-D180 PolarHBondContact O-N 2.88Å
178L72.8Confident60.9Low128 Ų128113.3 Ų113.367%0.6765%0.651SS**Hα-helixtrans-48.1-33.8-175.8-174.969000113.7D180 K181 I182L178-D180 PolarHBondContact O-N 3.43Å; L178-K181 PolarHBondContact O-N 3.32Å; L178-I182 HydrophobicContact CD2-CD1 4.47Å; L178-I182 HydrophobicContact CG-CD1 4.09Å; L178-I182 WeakPolarHBondContact O-CG1 3.16Å; L178-I182 PolarHBondContact O-N 3.15Å
179L75.5Confident61.9Low126 Ų126111.5 Ų111.566%0.6664%0.637SS**Hα-helixtrans-63.1-36.1-179.6-59.7177.9000113.1T177 K181 I182 Q183T177-L179 PolarHBondContact O-N 2.71Å; L179-K181 VanDerWaalsContact C-N 3.28Å; L179-K181 PolarHBondContact O-N 3.3Å; L179-I182 PolarHBondContact O-N 2.91Å; L179-Q183 WeakPolarHBondContact O-CB 3.23Å; L179-Q183 PolarHBondContact O-N 3.06Å
180D76.9Confident63.5Low65 Ų65110.4 Ų110.435%0.34862%0.621SS.*Hα-helixtrans-65.5-34.4178.1-169.177.9000111.7T177 L178 Q183 K184T177-D180 PolarHBondContact O-N 2.88Å; L178-D180 PolarHBondContact O-N 3.43Å; D180-Q183 WeakPolarHBondContact O-CB 3.39Å; D180-Q183 PolarHBondContact O-N 3.05Å; D180-K184 PolarHBondContact O-N 2.79Å; D180-K184 IonicContact OD2-NZ 3.09Å; D180-K184 PolarHBondContact OD2-NZ 3.35Å
181K75.6Confident64.4Low129 Ų129104.5 Ų104.556%0.56161%0.607SS**Hα-helixtrans-72.3-33.5177.1-58.7-175.9-177.3-178.90111.5L178 L179 A185L178-K181 PolarHBondContact O-N 3.32Å; L179-K181 VanDerWaalsContact C-N 3.28Å; L179-K181 PolarHBondContact O-N 3.3Å; K181-A185 WeakPolarHBondContact O-CB 3.48Å; K181-A185 PolarHBondContact O-N 2.96Å; K181-A185 VanDerWaalsContact O-N 3.09Å
182I78.1Confident65.6Low97 Ų9799.1 Ų99.150%0.49760%0.595SS.*Hα-helixtrans-72-41172.5-64.1168.2000110.5L178 L179 A185 A186L178-I182 HydrophobicContact CD2-CD1 4.47Å; L178-I182 HydrophobicContact CG-CD1 4.09Å; L178-I182 WeakPolarHBondContact O-CG1 3.16Å; L178-I182 PolarHBondContact O-N 3.15Å; L179-I182 PolarHBondContact O-N 2.91Å; I182-A185 PolarHBondContact O-N 3.13Å; I182-A186 PolarHBondContact O-N 2.77Å
183Q78.7Confident66.6Low140 Ų140101.1 Ų101.165%0.65459%0.592SS**Hα-helixtrans-56.4-52.2174.4-170.186.95.400110.8L179 D180 A185 A186 E187L179-Q183 WeakPolarHBondContact O-CB 3.23Å; L179-Q183 PolarHBondContact O-N 3.06Å; D180-Q183 WeakPolarHBondContact O-CB 3.39Å; D180-Q183 PolarHBondContact O-N 3.05Å; Q183-A185 PolarHBondContact O-N 2.71Å; Q183-A186 PolarHBondContact O-N 2.82Å; Q183-E187 WeakPolarHBondContact O-CB 3.22Å; Q183-E187 PolarHBondContact O-N 3.43Å
184K73.4Confident67Low114 Ų114100.1 Ų100.150%0.49658%0.581SS.*Hα-helixtrans-62.3-38.3176-81.4-178.5178.11180113.5D180 A186 E187 V188D180-K184 PolarHBondContact O-N 2.79Å; D180-K184 IonicContact OD2-NZ 3.09Å; D180-K184 PolarHBondContact OD2-NZ 3.35Å; K184-A186 VanDerWaalsContact C-N 3.34Å; K184-E187 PolarHBondContact O-N 2.81Å; K184-V188 WeakPolarHBondContact O-CG2 3.22Å; K184-V188 PolarHBondContact O-N 3.21Å
185A73.1Confident67.2Low58 Ų58102.7 Ų102.748%0.47959%0.588SS.*Hα-helixtrans-63.5-41.2175.500000111.7K181 I182 Q183 V189K181-A185 WeakPolarHBondContact O-CB 3.48Å; K181-A185 PolarHBondContact O-N 2.96Å; K181-A185 VanDerWaalsContact O-N 3.09Å; I182-A185 PolarHBondContact O-N 3.13Å; Q183-A185 PolarHBondContact O-N 2.71Å; A185-V189 WeakPolarHBondContact O-CG2 3.49Å; A185-V189 PolarHBondContact O-N 2.96Å
186A73.3Confident66.7Low60 Ų60101.9 Ų101.950%0.49659%0.591SS.*Hα-helixtrans-67.2-38.8175.300000112.6I182 Q183 K184 V189 A190I182-A186 PolarHBondContact O-N 2.77Å; Q183-A186 PolarHBondContact O-N 2.82Å; K184-A186 VanDerWaalsContact C-N 3.34Å; A186-V189 PolarHBondContact O-N 3.46Å; A186-A190 WeakPolarHBondContact O-CB 3.41Å; A186-A190 PolarHBondContact O-N 3.01Å
187E73.7Confident66.2Low124 Ų124102.2 Ų102.258%0.57960%0.597SS**Hα-helixtrans-63.4-42177.6-174.3174.3-155.700112.8Q183 K184 A190 S191Q183-E187 WeakPolarHBondContact O-CB 3.22Å; Q183-E187 PolarHBondContact O-N 3.43Å; K184-E187 PolarHBondContact O-N 2.81Å; E187-A190 PolarHBondContact O-N 3.46Å; E187-S191 WeakPolarHBondContact O-CB 3.33Å; E187-S191 PolarHBondContact O-N 3.09Å; E187-S191 PolarHBondContact O-OG 3.44Å
188V72.8Confident64.7Low102 Ų102107.2 Ų107.262%0.61861%0.614SS**Hα-helixtrans-64.5-41.7174.1171.50000111.4K184 S191 A192K184-V188 WeakPolarHBondContact O-CG2 3.22Å; K184-V188 PolarHBondContact O-N 3.21Å; V188-S191 PolarHBondContact O-N 3.28Å; V188-A192 PolarHBondContact O-N 3.39Å; V188-A192 VanDerWaalsContact O-N 3.14Å
189V70.9Confident63.1Low93 Ų93109 Ų10956%0.56462%0.618SS**Hα-helixtrans-66.9-41.1176.4172.40000111.5A185 A186 S191 A192 V193A185-V189 WeakPolarHBondContact O-CG2 3.49Å; A185-V189 PolarHBondContact O-N 2.96Å; A186-V189 PolarHBondContact O-N 3.46Å; V189-S191 VanDerWaalsContact C-N 3.3Å; V189-S191 PolarHBondContact O-N 2.92Å; V189-A192 PolarHBondContact O-N 3.06Å; V189-V193 WeakPolarHBondContact O-CG2 3.49Å; V189-V193 PolarHBondContact O-N 2.9Å
190A64Low61.3Low52 Ų52112.7 Ų112.743%0.4363%0.632SS.*Hα-helixtrans-62.3-38.4175.600000112.1A186 E187 A192 V193A186-A190 WeakPolarHBondContact O-CB 3.41Å; A186-A190 PolarHBondContact O-N 3.01Å; E187-A190 PolarHBondContact O-N 3.46Å; A190-A192 VanDerWaalsContact C-N 3.29Å; A190-A192 PolarHBondContact O-N 3.42Å; A190-V193 PolarHBondContact O-N 3.22Å
191S58.6Low59.1Low88 Ų88113 Ų11362%0.61565%0.651SS**Hα-helixtrans-70.3-23177.7-62.10000113.4E187 V188 V189E187-S191 WeakPolarHBondContact O-CB 3.33Å; E187-S191 PolarHBondContact O-N 3.09Å; E187-S191 PolarHBondContact O-OG 3.44Å; V188-S191 PolarHBondContact O-N 3.28Å; V189-S191 VanDerWaalsContact C-N 3.3Å; V189-S191 PolarHBondContact O-N 2.92Å
192A61.8Low57.3Low82 Ų82114.5 Ų114.568%0.67866%0.664SS**Hα-helixtrans-88.6-11.1178.100000114.2V188 V189 A190V188-A192 PolarHBondContact O-N 3.39Å; V188-A192 VanDerWaalsContact O-N 3.14Å; V189-A192 PolarHBondContact O-N 3.06Å; A190-A192 VanDerWaalsContact C-N 3.29Å; A190-A192 PolarHBondContact O-N 3.42Å
193V54.5Low55.7Low117 Ų117121.8 Ų121.871%0.70969%0.685SS**Hα-helixtrans-109.7-10.4-173.4174.80000112.9V189 A190V189-V193 WeakPolarHBondContact O-CG2 3.49Å; V189-V193 PolarHBondContact O-N 2.9Å; A190-V193 PolarHBondContact O-N 3.22Å
194L48.9Very low53.9Low129 Ų129122.9 Ų122.968%0.67569%0.694SS**SBendtrans-101.4141.7175.9-65.3174.9000111.6
195P47.7Very low52.4Low108 Ų108124.8 Ų124.870%0.70171%0.705SS**PPolyproline II helixtrans-66.4145.9173.928.6-34.3000110.9T197P195-T197 PolarHBondContact O-N 3.27Å
196P46.3Very low51Low132 Ų132128.4 Ų128.486%0.85771%0.712SS**PPolyproline II helixtrans-60.7130.5-174.7-24.934.6000113.5E198P196-E198 PolarHBondContact O-N 3.27Å
197T43.4Very low49.4Very low112 Ų112133 Ų13369%0.68773%0.728SS**  trans-77.7112.4172.550.10000110.7P195 H199P195-T197 PolarHBondContact O-N 3.27Å; T197-H199 PolarHBondContact O-N 2.94Å; T197-H199 PolarHBondContact O-ND1 3.03Å; T197-H199 VanDerWaalsContact O-ND1 3.12Å
198E39Very low48.4Very low196 Ų196135.2 Ų135.292%0.91674%0.738SS**  trans-51.5123.1171.7-73.3-167.811300111.2P196P196-E198 PolarHBondContact O-N 3.27Å
199H38Very low47.4Very low165 Ų165140.5 Ų140.576%0.76475%0.748SS**  trans-121.6137.3165.7-78.274.7000109.3T197T197-H199 PolarHBondContact O-N 2.94Å; T197-H199 PolarHBondContact O-ND1 3.03Å; T197-H199 VanDerWaalsContact O-ND1 3.12Å
200Q38.1Very low46.6Very low203 Ų203147 Ų14795%0.94976%0.762SS**  trans-82.7144.9-162.1-62.8158.9-18.200111.8
201G31.9Very low45.9Very low73 Ų73148 Ų14875%0.75377%0.771SS**  trans133.563.5146.500000119.5
202I38.2Very low45.5Very low160 Ų160150.6 Ų150.682%0.82178%0.783SS**  trans-127.9104.7138.4-55.2-178.4000108.3L204I202-L204 HydrophobicContact CG2-CG 4.48Å; I202-L204 PolarHBondContact O-N 2.82Å
203R42.9Very low45.6Very low249 Ų249152.6 Ų152.694%0.9479%0.787SS**  trans-74.7113.4168.6-96.4-175.5164-158.2-4.2108.9
204L41.3Very low45.2Very low163 Ų163150.8 Ų150.885%0.85378%0.783SS**  trans-104.7150.7155.5-75176.9000110I202 E206I202-L204 HydrophobicContact CG2-CG 4.48Å; I202-L204 PolarHBondContact O-N 2.82Å; L204-E206 PolarHBondContact O-N 3.25Å
205H41.6Very low45.1Very low154 Ų154150.8 Ų150.871%0.71379%0.791SS**  trans-80.9119.2-161.9-151.8-76.3000112.1N207H205-N207 PolarHBondContact O-N 2.95Å; H205-N207 PolarHBondContact O-ND2 2.91Å
206E44.5Very low45Very low135 Ų135151.5 Ų151.563%0.63180%0.799SS**  trans22.897145.7-164.7171-130.100117L204 H208L204-E206 PolarHBondContact O-N 3.25Å; E206-H208 IonicContact OE1-CE1 2.86Å
207N38.8Very low44.9Very low156 Ų156149.1 Ų149.183%0.83479%0.791SS**  trans-125.1120.1165.4-87.6-93.5000109.3H205 Y209H205-N207 PolarHBondContact O-N 2.95Å; H205-N207 PolarHBondContact O-ND2 2.91Å; N207-Y209 PolarHBondContact O-N 3.45Å
208H52.6Low45.1Very low170 Ų170149.9 Ų149.979%0.78780%0.797SS**  trans-83.374.7-167.7-8082000112.7E206E206-H208 IonicContact OE1-CE1 2.86Å
209Y52.9Low45.4Very low214 Ų214147.9 Ų147.984%0.83979%0.791SS**  trans-103.6115.4167.7-167.9-102.6000111.2N207N207-Y209 PolarHBondContact O-N 3.45Å
210R53.8Low45.6Very low228 Ų228149.1 Ų149.186%0.8680%0.797SS**  trans-117.5119.3176-174.3179.2-175.1178.43109.3V212R210-V212 PolarHBondContact O-N 3.11Å
211A48.3Very low45.7Very low73 Ų73145.4 Ų145.460%0.60379%0.788SS**  trans-60.4131.3173.800000110.7V213A211-V213 PolarHBondContact O-N 3.12Å
212V50.4Low45.9Very low143 Ų143146.6 Ų146.687%0.86779%0.791SS**  trans-82.5116177.3179.10000108.8R210R210-V212 PolarHBondContact O-N 3.11Å
213V64.7Low46Very low125 Ų125145.5 Ų145.576%0.75879%0.792SS**PPolyproline II helixtrans-82.5127.2174.2179.20000108.9A211A211-V213 PolarHBondContact O-N 3.12Å
214A45.1Very low46Very low78 Ų78138.2 Ų138.265%0.64579%0.785SS**PPolyproline II helixtrans-68.5133174.100000110.5S216A214-S216 PolarHBondContact O-N 3.44Å
215P48.4Very low45.5Very low129 Ų129135.2 Ų135.284%0.83878%0.784SS**PPolyproline II helixtrans-62.2128.9178.6-23.834.3000112.5A217P215-A217 PolarHBondContact O-N 3.38Å
216S44Very low45.1Very low123 Ų123133.1 Ų133.186%0.8679%0.785SS**  trans-75.5103.5175.2-49.30000110.7A214A214-S216 PolarHBondContact O-N 3.44Å
217A46.2Very low44.4Very low83 Ų83130.7 Ų130.769%0.68679%0.788SS**PPolyproline II helixtrans-72.9142.7165.500000110.1P215P215-A217 PolarHBondContact O-N 3.38Å
218P45.9Very low44.2Very low128 Ų128133.3 Ų133.383%0.83179%0.788SS**PPolyproline II helixtrans-68.4144179.928.3-34.5000111.9
219I46.8Very low43.3Very low154 Ų154132.9 Ų132.979%0.7979%0.791SS**PPolyproline II helixtrans-85.6117.9179.1-61.2167.3000108.9V221I219-V221 HydrophobicContact CG2-CG2 4.46Å
220E40.7Very low42.4Very low190 Ų190130.4 Ų130.489%0.88879%0.791SS**PPolyproline II helixtrans-80.3125.8161.7-71.5-163.1139.400109.9A222E220-A222 PolarHBondContact O-N 3.49Å
221V41.4Very low42.1Very low125 Ų125124.5 Ų124.576%0.75878%0.783SS**  trans-88.5102.8-176.5178.50000109.8I219 V223I219-V221 HydrophobicContact CG2-CG2 4.46Å; V221-V223 PolarHBondContact O-N 2.89Å
222A35.8Very low41.3Very low99 Ų99127.3 Ų127.382%0.81879%0.792SS**PPolyproline II helixtrans-74.2119.9171.100000110.8E220E220-A222 PolarHBondContact O-N 3.49Å
223V39.3Very low40.4Very low136 Ų136131.6 Ų131.682%0.82479%0.793SS**PPolyproline II helixtrans-77137.7177.6177.90000110.5V221V221-V223 PolarHBondContact O-N 2.89Å
224A42.8Very low39.1Very low97 Ų97136.5 Ų136.580%0.80280%0.798SS**PPolyproline II helixtrans-76.9136.7178.600000112.7
225A32Very low38.7Very low100 Ų100139 Ų13983%0.82681%0.808SS**  trans-139.9148166.300000109.3
226C32.3Very low38.3Very low109 Ų109142.4 Ų142.474%0.73681%0.81SS**  trans-100.6162-166.2-55.80000114
227A30.6Very low37.7Very low84 Ų84141.5 Ų141.569%0.69481%0.809SS**  trans66167.4173.200000113.9
228Y33.7Very low37.2Very low211 Ų211142.6 Ų142.683%0.82781%0.812SS**  cis-142.1-169.723.9-36.8-95000111.8
229N34.5Very low36.6Very low162 Ų162144.9 Ų144.987%0.86681%0.812SS**  trans-72.3162.8-166.3-59.5-70.2000116.8
230L33.7Very low35.8Very low161 Ų161148.2 Ų148.284%0.84381%0.814SS**  trans-55.3170.8158.1-111.969.6000112.7
231P48Very low35.8Very low105 Ų105145.2 Ų145.268%0.68281%0.813SS**  cis-132.4-173.6-9.740.8-25.2000113.2
232T30.3Very low35.6Very low131 Ų131145.6 Ų145.680%0.80482%0.818SS**  trans173.4156.4130.3-78.60000113.9
233R32Very low35.7Very low233 Ų233144.9 Ų144.988%0.87982%0.82SS**  trans-22.5148.5178.6-74.3176.8161.9178.1-5.7120.9
234R38Very low35.8Very low228 Ų228147 Ų14786%0.8682%0.821SS**  trans-53.7158.9157.8-53.3177.8-177.8179.9-0.9112.8
235P36.9Very low35.6Very low131 Ų131149.6 Ų149.685%0.85183%0.826SS**  -114.5167.7116.634.1-34.3000112.6
236K38.7Very low36.3Very low201 Ų201148 Ų14887%0.87482%0.82SS**  trans-116.3119.5-179.1-176.2-178.9-178.7-1770109
237A32.2Very low36.9Very low104 Ų104145.8 Ų145.886%0.8682%0.815SS**  trans-119.716117000000109.7
238S34.7Very low37.2Very low106 Ų106145.4 Ų145.474%0.74182%0.82SS**  trans-125166.4-159.654.10000114.2
239Q33.7Very low37.6Very low176 Ų176146 Ų14682%0.82282%0.821SS**  trans68.6138.4167.4-84.4176.6-10.300115.7
240R31.4Very low37.9Very low224 Ų224147.2 Ų147.285%0.84582%0.821SS**  cis-141.1158.618.3-60.5177.2177.3-158.5-2.5111.9
241C39.6Very low38.2Very low127 Ų127148.1 Ų148.186%0.85882%0.821SS**  trans-90.8146153.9-53.50000108.7
242P37.4Very low38Very low133 Ų133148.6 Ų148.686%0.86482%0.822SS**  -143.7152.9102.137.2-23.3000114.4
243G37.8Very low38.5Very low84 Ų84149.5 Ų149.587%0.86682%0.822SS**  trans128.797.217500000112.1
244Q42.3Very low38.9Very low181 Ų181144.6 Ų144.685%0.84682%0.823SS**  trans-123.3120.5-178.2176.9177.2-41.300111.5
245V37.4Very low38.9Very low150 Ų150139.1 Ų139.191%0.90982%0.82SS**  trans-131.4122.9143.3-690000104.2
246G47.9Very low38.8Very low68 Ų68141.2 Ų141.270%0.70182%0.824SS**  cis112.7115.52200000107.8
247G43.7Very low38.5Very low61 Ų61134.8 Ų134.863%0.62982%0.815SS**  cis-174.7133.8-7.400000109
248G36.5Very low38.5Very low76 Ų76135.5 Ų135.578%0.78481%0.814SS**  trans-82.5143.9176.800000111.3
249W42.9Very low38.7Very low225 Ų225134.9 Ų134.985%0.85281%0.809SS**  trans-132.595170.9-71.2104.6000109.4
250E40.8Very low38.8Very low186 Ų186134.9 Ų134.987%0.86981%0.809SS**  trans-75.8124.4152-65.1158.5149.600105.8
251E40.2Very low38.8Very low180 Ų180131.4 Ų131.484%0.84181%0.807SS**  trans-101.7132174.7-69.3-170.1158.700109.7
252T44.7Very low38.5Very low116 Ų116130.4 Ų130.471%0.71280%0.801SS**  trans-120.5131.3-172.7-53.60000109.9
253D40.6Very low38.5Very low149 Ų149128.2 Ų128.280%0.79779%0.79SS**  trans41.8140.9159.3-57.2-20.1000121.3
254S40.4Very low38.3Very low130 Ų130132.6 Ų132.691%0.90979%0.787SS**  trans-143.9137.7158.7-76.90000109.9
255S36.9Very low37.8Very low114 Ų114130.3 Ų130.380%0.79778%0.781SS**  trans-131.5132.5-15752.80000114.4
256N35.2Very low37.5Very low175 Ų175132.1 Ų132.194%0.93678%0.782SS**  trans-176.9151.9155.3-110.63.3000109.4
257G32Very low36.8Very low66 Ų66133.3 Ų133.368%0.6879%0.785SS**  cis152.869.6-8.100000115.5
258S33.1Very low36.6Very low119 Ų119134.7 Ų134.783%0.83279%0.791SS**  trans177173.8166.953.90000111.4
259S39.3Very low36.3Very low92 Ų92138.5 Ų138.564%0.64379%0.793SS**  -163.2168.2-66.6520000110.1
260H35.2Very low35.9Very low176 Ų176132 Ų13282%0.81578%0.782SS**  trans73.8126-172.2-49.9-86.3000114.7
261N31.6Very low35.6Very low152 Ų152134.9 Ų134.981%0.81379%0.785SS**  cis92.496.520.5-169.586000116.4
262S33.3Very low35.1Very low105 Ų105130.8 Ų130.873%0.73478%0.782SS**  trans-160.5129.1141.8-156.60000113.5
263S36.2Very low34.6Very low88 Ų88130.6 Ų130.662%0.61579%0.785SS**  trans31.2120144.358.10000120.9
264Q35.1Very low34.3Very low176 Ų176128.1 Ų128.182%0.82279%0.786SS**  7194.964.6-164.9176.719.200111.4
265D30.8Very low33.7Very low132 Ų132125.3 Ų125.371%0.70678%0.777SS**  79.4117.678.5-176.226000113.6
266M31.9Very low33.6Very low188 Ų188124.4 Ų124.493%0.92677%0.77SS**  trans-150138.7169-87.5-62.1149.700109.9
267A32.9Very low33.7Very low94 Ų94125.1 Ų125.178%0.77777%0.765SS**  trans-109.4164-156.900000116.8
268A38.3Very low33.9Very low90 Ų90127.6 Ų127.674%0.74477%0.772SS**  trans-19.2134.1172.200000120.7
269N31.1Very low33.9Very low156 Ų156126.4 Ų126.483%0.83477%0.769SS**  trans-173.5154.5145.3-97.5-45.4000109.3
270S34Very low33.6Very low89 Ų89125.8 Ų125.862%0.62278%0.778SS**  cis-171.2148.5-27.1-116.60000110.4
271R35.2Very low33.6Very low245 Ų245123.2 Ų123.293%0.92578%0.779SS**  trans72.8146.7161.1-67177.2171.3156.5-1.6121.4
272A29.9Very low33.7Very low94 Ų94125.7 Ų125.778%0.77778%0.778SS**  trans-55.4169.5171.300000114.1
273S34Very low33.6Very low113 Ų113126.6 Ų126.679%0.7978%0.784SS**  cis-172.1169.745.6-163.30000114.8
274A33.2Very low33.8Very low97 Ų97129 Ų12980%0.80279%0.785SS**  trans60.4125.8154.400000121.6
275G29.1Very low34Very low70 Ų70126.4 Ų126.472%0.72279%0.786SS**  126.1106.8113.500000120.2
276S34.4Very low34.1Very low95 Ų95124 Ų12466%0.66479%0.793SS**  trans69.6120.9143.5-67.10000122.6
277K37.9Very low34.2Very low191 Ų191119.8 Ų119.883%0.8379%0.788SS**  55.5118.8124.8-50.3162.8-162.1170.60119.4
278S34.9Very low34.5Very low118 Ų118120.1 Ų120.183%0.82578%0.784SS**  -175162.311252.30000113.7
279A34.5Very low34.7Very low93 Ų93127.3 Ų127.377%0.76979%0.792SS**  trans33116.6154.100000120.7
280G32.4Very low34.9Very low80 Ų80127.9 Ų127.983%0.82579%0.79SS**  trans-88.6140.9150.100000110.9
281S35.7Very low35Very low121 Ų121128.9 Ų128.985%0.84680%0.797SS**  trans-96.3110.4180-67.80000112.1
282R31.9Very low35.3Very low205 Ų205124.9 Ų124.977%0.77479%0.794SS**  trans-79.2130.8170.4172-171.7179.5-165.11.6110
283S32.8Very low35.6Very low123 Ų123123.1 Ų123.186%0.8679%0.785SS**  trans-126.685.6168.8-68.70000111.9
284Q40.2Very low35.5Very low139 Ų139122.7 Ų122.765%0.6577%0.773SS**  trans-115.1149.5149.9-52.8169.6-51.300104.4
285S39.3Very low36Very low121 Ų121122.8 Ų122.885%0.84677%0.766SS**  cis-150.3172.413.9-52.40000109.3
286G32.8Very low36.7Very low82 Ų82122.6 Ų122.685%0.84575%0.754SS**  trans-172.3102.6166.800000112.4
287A34.4Very low36.9Very low99 Ų99125.1 Ų125.182%0.81876%0.755SS**  trans-103.9154.9178.500000111.7
288S38.7Very low37.1Very low101 Ų101124.8 Ų124.871%0.70675%0.748SS**  trans57.1112.3168.9-167.50000117.9
289R42.1Very low37.4Very low241 Ų241123 Ų12391%0.90973%0.733SS**  -131.7120.4116.7-78.3-165.4166.4-104.1-6.2109.2
290E35.6Very low37.9Very low169 Ų169124.9 Ų124.979%0.7973%0.726SS**  trans-58.2136.6163.2-129.870.575.200108.9
291S36Very low38.4Very low109 Ų109124.8 Ų124.876%0.76272%0.717SS**  trans-128123167.7-171.40000108G293S291-G293 PolarHBondContact O-N 2.91Å
292N40.9Very low38.7Very low162 Ų162125.2 Ų125.287%0.86671%0.709SS**  trans-77.175.8-178.9-68.4-9.9000109.9
293G37.6Very low39.4Very low56 Ų56122.8 Ų122.858%0.57771%0.706SS**  trans-78.9148.8164.200000111.1S291S291-G293 PolarHBondContact O-N 2.91Å
294D30.6Very low40.4Very low104 Ų104121.4 Ų121.456%0.55669%0.689SS**  trans-64.7136.7-177.1-178.576.4000111.8S296 E297D294-S296 PolarHBondContact O-N 2.91Å; D294-S296 VanDerWaalsContact O-N 3.15Å; D294-S296 WeakPolarHBondContact OD2-CB 3.33Å; D294-S296 PolarHBondContact OD2-N 3.14Å; D294-E297 PolarHBondContact O-N 3.42Å
295P44.6Very low40.8Very low99 Ų99118.1 Ų118.164%0.64369%0.692SS**Hα-helixtrans-61.6-20.3-177.922.1-33.9000114.9T299P295-T299 PolarHBondContact O-N 2.96Å; P295-T299 PolarHBondContact O-OG1 3.37Å; P295-T299 VanDerWaalsContact O-OG1 3.1Å
296S43.3Very low42Very low66 Ų66114.9 Ų114.946%0.46267%0.666SS.*Hα-helixtrans-64.2-44.7177.9-159.10000111.8D294 R298 T299 E300D294-S296 PolarHBondContact O-N 2.91Å; D294-S296 VanDerWaalsContact O-N 3.15Å; D294-S296 WeakPolarHBondContact OD2-CB 3.33Å; D294-S296 PolarHBondContact OD2-N 3.14Å; S296-R298 VanDerWaalsContact C-N 3.34Å; S296-R298 PolarHBondContact O-N 3.25Å; S296-T299 PolarHBondContact O-N 3.26Å; S296-T299 VanDerWaalsContact O-N 3.13Å; S296-E300 PolarHBondContact O-N 3.24Å
297E38.9Very low44.4Very low148 Ų148111.7 Ų111.769%0.69263%0.63SS**Hα-helixtrans-65.3-36.6-175.6-170.4176.5-148.700112.1D294 A301D294-E297 PolarHBondContact O-N 3.42Å; E297-A301 WeakPolarHBondContact O-CB 3.45Å; E297-A301 PolarHBondContact O-N 3.06Å
298R40.9Very low46.9Very low184 Ų184109.3 Ų109.369%0.69462%0.615SS**Hα-helixtrans-70.5-29.6175.6-177.9172.6-72.8174.3-0.1112.6S296 L302S296-R298 VanDerWaalsContact C-N 3.34Å; S296-R298 PolarHBondContact O-N 3.25Å; R298-L302 HydrophobicContact CG-CD1 3.87Å; R298-L302 HydrophobicContact CG-CG 4.33Å; R298-L302 WeakPolarHBondContact O-CB 3.3Å; R298-L302 WeakPolarHBondContact O-CD1 3.45Å; R298-L302 VanDerWaalsContact O-CG 3.28Å; R298-L302 WeakPolarHBondContact O-CG 3.45Å; R298-L302 PolarHBondContact O-N 2.89Å
299T42.4Very low49.4Very low82 Ų82110.9 Ų110.950%0.50361%0.611SS.*Hα-helixtrans-68.2-41.7179.4-62.20000111.6P295 S296 L302P295-T299 PolarHBondContact O-N 2.96Å; P295-T299 PolarHBondContact O-OG1 3.37Å; P295-T299 VanDerWaalsContact O-OG1 3.1Å; S296-T299 PolarHBondContact O-N 3.26Å; S296-T299 VanDerWaalsContact O-N 3.13Å; T299-L302 PolarHBondContact O-N 2.85Å
300E45.7Very low51.9Low132 Ų132100 Ų10062%0.61757%0.571SS**Hα-helixtrans-69.4-42176.6-63.9-180-163.300111.5S296 L302 Q303S296-E300 PolarHBondContact O-N 3.24Å; E300-L302 PolarHBondContact O-N 3.46Å; E300-Q303 PolarHBondContact O-N 3.25Å
301A41.8Very low54.6Low77 Ų7795.5 Ų95.564%0.63655%0.551SS**Hα-helixtrans-63.7-20.1177.200000114.4E297E297-A301 WeakPolarHBondContact O-CB 3.45Å; E297-A301 PolarHBondContact O-N 3.06Å
302L42.7Very low57.4Low131 Ų13192.1 Ų92.169%0.68653%0.529SS*.THydrogen-bonded Turntrans-88-7178.5-78170.2000114.3R298 T299 E300R298-L302 HydrophobicContact CG-CD1 3.87Å; R298-L302 HydrophobicContact CG-CG 4.33Å; R298-L302 WeakPolarHBondContact O-CB 3.3Å; R298-L302 WeakPolarHBondContact O-CD1 3.45Å; R298-L302 VanDerWaalsContact O-CG 3.28Å; R298-L302 WeakPolarHBondContact O-CG 3.45Å; R298-L302 PolarHBondContact O-N 2.89Å; T299-L302 PolarHBondContact O-N 2.85Å; E300-L302 PolarHBondContact O-N 3.46Å
303Q47Very low60Low153 Ų15384.6 Ų84.672%0.71549%0.489SS*.THydrogen-bonded Turntrans-101-13.3-178.3-70.8-178-20.600114.3E300E300-Q303 PolarHBondContact O-N 3.25Å
304L52.8Low62.7Low95 Ų9582 Ų8250%0.49746%0.462SS..  trans-97.117.5-179.2-88.872.3000114.4D306 C307 L348L304-D306 VanDerWaalsContact C-N 3.29Å; L304-D306 PolarHBondContact O-N 2.96Å; L304-D306 VanDerWaalsContact O-N 3.16Å; L304-C307 PolarHBondContact O-SG 2.83Å; L304-L348 HydrophobicContact CD2-CD2 4.4Å
305G48.5Very low65.8Low69 Ų6978.5 Ų78.571%0.71145%0.445SS*.SBendtrans-59.9-28.5-17100000116.3
306D64.8Low68.2Low54 Ų5479.4 Ų79.429%0.28944%0.436SS..SBendtrans-105.4-19.9-174.6-66.2-43.7000114.7R118 L304 G308R118-D306 VanDerWaalsContact CD-OD2 3.3Å; R118-D306 WeakPolarHBondContact CD-OD2 3.39Å; R118-D306 IonicContact CZ-OD2 2.78Å; R118-D306 IonicContact NE-OD1 2.88Å; R118-D306 PolarHBondContact NE-OD1 3.27Å; R118-D306 IonicContact NE-OD2 3.9Å; R118-D306 PolarHBondContact NE-OD2 2.98Å; R118-D306 IonicContact NH2-OD2 3.51Å; L304-D306 VanDerWaalsContact C-N 3.29Å; L304-D306 PolarHBondContact O-N 2.96Å; L304-D306 VanDerWaalsContact O-N 3.16Å; D306-G308 PolarHBondContact O-N 2.73Å
307C82.6Confident70.6Confident15 Ų1576.8 Ų76.810%0.10142%0.417CS..THydrogen-bonded Turntrans-83.226.3-166.770.60000114.3L304 Q309 E310 M311 V344L304-C307 PolarHBondContact O-SG 2.83Å; C307-Q309 PolarHBondContact O-N 3.36Å; C307-E310 WeakPolarHBondContact CA-OE2 3.3Å; C307-E310 PolarHBondContact O-N 3.26Å; C307-M311 VanDerWaalsContact O-CB 3.3Å; C307-M311 WeakPolarHBondContact O-CB 3.34Å; C307-M311 PolarHBondContact O-N 2.99Å; C307-V344 HydrophobicContact CB-CG1 3.68Å
308G86.8Confident73.3Confident49 Ų4970.1 Ų70.151%0.50539%0.386SS..Hα-helixtrans-62.6-29.2-172.400000113.6D306 A312D306-G308 PolarHBondContact O-N 2.73Å; G308-A312 WeakPolarHBondContact O-CB 3.36Å; G308-A312 PolarHBondContact O-N 3.36Å
309Q91.4Very high75.6Confident133 Ų13367.1 Ų67.162%0.62138%0.38SS*.Hα-helixtrans-78.4-44.4179.3-61.6-175.24.900111.3C307 A312 L313 L340C307-Q309 PolarHBondContact O-N 3.36Å; Q309-A312 PolarHBondContact O-N 3.32Å; Q309-L313 WeakPolarHBondContact O-CB 3.4Å; Q309-L313 PolarHBondContact O-N 2.75Å; Q309-L340 HydrophobicContact CB-CD1 4.44Å; Q309-L340 HydrophobicContact CB-CD2 3.63Å; Q309-L340 VanDerWaalsContact OE1-CD2 3.3Å
310E94.4Very high77.6Confident13 Ų1365.1 Ų65.16%0.06138%0.376CS..Hα-helixtrans-61.2-45.2173.4-65.877.2-176.200111.3C307 A312 L313 I314 L340 N341 V344 V345 L348C307-E310 WeakPolarHBondContact CA-OE2 3.3Å; C307-E310 PolarHBondContact O-N 3.26Å; E310-A312 PolarHBondContact O-N 3.42Å; E310-L313 PolarHBondContact O-N 2.92Å; E310-I314 WeakPolarHBondContact O-CG1 3.41Å; E310-I314 PolarHBondContact O-N 3.38Å; E310-L340 HydrophobicContact CG-CB 4.1Å; E310-L340 HydrophobicContact CG-CD1 4.4Å; E310-N341 PolarHBondContact OE1-N 2.87Å; E310-V344 HydrophobicContact CB-CG1 4.1Å; E310-V344 HydrophobicContact CG-CB 4.39Å; E310-V344 HydrophobicContact CG-CG1 4.12Å; E310-V345 HydrophobicContact CB-CG2 4.04Å; E310-V345 HydrophobicContact CG-CG2 3.63Å; E310-L348 HydrophobicContact CB-CD1 3.71Å
311M93.1Very high79.4Confident75 Ų7564.4 Ų64.437%0.36939%0.386SS..Hα-helixtrans-65-38.7177-174.259.1172.100111.9C307 S315 L348C307-M311 VanDerWaalsContact O-CB 3.3Å; C307-M311 WeakPolarHBondContact O-CB 3.34Å; C307-M311 PolarHBondContact O-N 2.99Å; M311-S315 WeakPolarHBondContact O-CB 3.32Å; M311-S315 PolarHBondContact O-N 3.46Å; M311-S315 PolarHBondContact O-OG 3.26Å; M311-L348 HydrophobicContact CB-CD1 4.32Å; M311-L348 HydrophobicContact SD-CD2 4.03Å
312A93.8Very high81.8Confident38 Ų3867 Ų6731%0.31438%0.383SS..Hα-helixtrans-68.8-37174.400000112.6G308 Q309 E310 R316G308-A312 WeakPolarHBondContact O-CB 3.36Å; G308-A312 PolarHBondContact O-N 3.36Å; Q309-A312 PolarHBondContact O-N 3.32Å; E310-A312 PolarHBondContact O-N 3.42Å; A312-R316 WeakPolarHBondContact O-CG 3.39Å; A312-R316 PolarHBondContact O-N 3.34Å; A312-R316 PolarHBondContact O-NH1 3.16Å
313L95.7Very high84.2Confident4 Ų462.4 Ų62.42%0.02136%0.36CS..Hα-helixtrans-62-51.2172.4171.360.5000110.8Q309 E310 S315 R316 L317 F333 E336 L340Q309-L313 WeakPolarHBondContact O-CB 3.4Å; Q309-L313 PolarHBondContact O-N 2.75Å; E310-L313 PolarHBondContact O-N 2.92Å; L313-S315 VanDerWaalsContact C-N 3.31Å; L313-S315 PolarHBondContact O-N 3.2Å; L313-R316 PolarHBondContact O-N 2.99Å; L313-L317 VanDerWaalsContact O-CB 3.23Å; L313-L317 WeakPolarHBondContact O-CB 3.2Å; L313-L317 PolarHBondContact O-N 3.42Å; L313-F333 HydrophobicContact CD1-CD2 4.14Å; L313-F333 HydrophobicContact CD2-CD2 4.13Å; L313-F333 HydrophobicContact CD2-CE2 4.29Å; L313-F333 HydrophobicContact CG-CD2 4.23Å; L313-E336 HydrophobicContact CD1-CB 3.94Å; L313-E336 HydrophobicContact CD1-CG 4.41Å; L313-E336 WeakPolarHBondContact CD1-OE2 3.39Å; L313-E336 HydrophobicContact CD2-CB 3.88Å; L313-L340 HydrophobicContact CB-CD1 4.29Å; L313-L340 HydrophobicContact CD2-CD1 3.79Å
314I95.9Very high86.5Confident0 Ų061 Ų610%035%0.351CS..Hα-helixtrans-66.3-33-179.3-66.6-48.2000112.1E310 L317 T318 F333 V345 L348 L349 K352E310-I314 WeakPolarHBondContact O-CG1 3.41Å; E310-I314 PolarHBondContact O-N 3.38Å; I314-L317 HydrophobicContact CD1-CD2 4.15Å; I314-T318 HydrophobicContact CG2-CG2 4.39Å; I314-T318 WeakPolarHBondContact O-CB 3.34Å; I314-T318 WeakPolarHBondContact O-CG2 3.38Å; I314-T318 PolarHBondContact O-N 3.12Å; I314-T318 PolarHBondContact O-OG1 2.95Å; I314-F333 HydrophobicContact CD1-CE2 4.03Å; I314-V345 HydrophobicContact CD1-CG1 3.92Å; I314-V345 HydrophobicContact CG1-CG1 4.45Å; I314-L348 HydrophobicContact CG1-CB 4.15Å; I314-L349 HydrophobicContact CD1-CD1 4.15Å; I314-L349 HydrophobicContact CD1-CD2 3.7Å; I314-L349 HydrophobicContact CD1-CG 3.62Å; I314-L349 HydrophobicContact CG1-CG 4.41Å; I314-L349 HydrophobicContact CG2-CD2 4.5Å; I314-K352 HydrophobicContact CG2-CG 3.68Å
315S94.1Very high88.5Confident31 Ų3157.4 Ų57.422%0.21733%0.333CS..Hα-helixtrans-63.8-57.7171.8-56.30000110.8M311 L313 L317 T318 E319M311-S315 WeakPolarHBondContact O-CB 3.32Å; M311-S315 PolarHBondContact O-N 3.46Å; M311-S315 PolarHBondContact O-OG 3.26Å; L313-S315 VanDerWaalsContact C-N 3.31Å; L313-S315 PolarHBondContact O-N 3.2Å; S315-L317 PolarHBondContact O-N 3.14Å; S315-L317 VanDerWaalsContact O-N 3.1Å; S315-T318 PolarHBondContact O-N 3Å; S315-T318 PolarHBondContact O-OG1 2.91Å; S315-E319 VanDerWaalsContact C-OE1 3.22Å; S315-E319 WeakPolarHBondContact CB-OE1 3.45Å; S315-E319 WeakPolarHBondContact O-CB 3.41Å; S315-E319 VanDerWaalsContact O-CG 3.25Å; S315-E319 WeakPolarHBondContact O-CG 3.43Å; S315-E319 PolarHBondContact O-N 3.49Å
316R95.1Very high90.7Very high119 Ų11956.1 Ų56.145%0.44931%0.311SS..Hα-helixtrans-53.2-36175.5-72.5-168.6-56-87.110.1113.6A312 L313 E336A312-R316 WeakPolarHBondContact O-CG 3.39Å; A312-R316 PolarHBondContact O-N 3.34Å; A312-R316 PolarHBondContact O-NH1 3.16Å; L313-R316 PolarHBondContact O-N 2.99Å; R316-E336 IonicContact CZ-OE2 3.77Å; R316-E336 IonicContact NE-OE2 2.93Å; R316-E336 IonicContact NH2-OE1 3.12Å; R316-E336 PolarHBondContact NH2-OE1 3.35Å; R316-E336 IonicContact NH2-OE2 2.8Å; R316-E336 PolarHBondContact NH2-OE2 3.05Å
317L95Very high92.2Very high11 Ų1162.2 Ų62.26%0.05833%0.33CS..Hα-helixtrans-75-35.3-179.6-170.369000112.9L313 I314 S315 L325 F333 R363 A367L313-L317 VanDerWaalsContact O-CB 3.23Å; L313-L317 WeakPolarHBondContact O-CB 3.2Å; L313-L317 PolarHBondContact O-N 3.42Å; I314-L317 HydrophobicContact CD1-CD2 4.15Å; S315-L317 PolarHBondContact O-N 3.14Å; S315-L317 VanDerWaalsContact O-N 3.1Å; L317-L325 HydrophobicContact CD1-CD1 3.98Å; L317-L325 HydrophobicContact CD1-CD2 3.65Å; L317-L325 HydrophobicContact CD1-CG 4.48Å; L317-L325 HydrophobicContact CG-CD1 4.5Å; L317-L325 HydrophobicContact CG-CD2 4.16Å; L317-F333 HydrophobicContact CD1-CB 3.86Å; L317-F333 HydrophobicContact CD1-CD2 4.15Å; L317-F333 HydrophobicContact CD1-CG 4.06Å; L317-F333 HydrophobicContact CD2-CB 4.49Å; L317-F333 HydrophobicContact CD2-CD1 4.36Å; L317-F333 HydrophobicContact CD2-CD2 3.3Å; L317-F333 HydrophobicContact CD2-CE1 4.47Å; L317-F333 HydrophobicContact CD2-CE2 3.43Å; L317-F333 VanDerWaalsContact CD2-CE2 3.43Å; L317-F333 HydrophobicContact CD2-CG 3.8Å; L317-F333 HydrophobicContact CD2-CZ 4.06Å; L317-F333 HydrophobicContact CG-CD2 4.28Å; L317-R363 VanDerWaalsContact O-CZ 3.27Å; L317-R363 PolarHBondContact O-NE 3.12Å; L317-R363 PolarHBondContact O-NH2 3Å; L317-A367 HydrophobicContact CD2-CB 3.51Å
318T93.9Very high92.8Very high8 Ų867.2 Ų67.25%0.04935%0.352CS..Hα-helixtrans-87.6-23.7-179.953.50000112.8I314 S315 K352 V360 A364I314-T318 HydrophobicContact CG2-CG2 4.39Å; I314-T318 WeakPolarHBondContact O-CB 3.34Å; I314-T318 WeakPolarHBondContact O-CG2 3.38Å; I314-T318 PolarHBondContact O-N 3.12Å; I314-T318 PolarHBondContact O-OG1 2.95Å; S315-T318 PolarHBondContact O-N 3Å; S315-T318 PolarHBondContact O-OG1 2.91Å; T318-K352 HydrophobicContact CG2-CG 4.36Å; T318-V360 HydrophobicContact CG2-CG1 3.92Å; T318-A364 HydrophobicContact CG2-CB 4.49Å
319E89.8Confident93.2Very high120 Ų12067.8 Ų67.856%0.56134%0.342SS*.  trans-58.5130.1161.3-73158.5-140.300110.3S315 R363S315-E319 VanDerWaalsContact C-OE1 3.22Å; S315-E319 WeakPolarHBondContact CB-OE1 3.45Å; S315-E319 WeakPolarHBondContact O-CB 3.41Å; S315-E319 VanDerWaalsContact O-CG 3.25Å; S315-E319 WeakPolarHBondContact O-CG 3.43Å; S315-E319 PolarHBondContact O-N 3.49Å; E319-R363 PolarHBondContact O-NE 2.71Å; E319-R363 PolarHBondContact O-NH2 3.4Å
320G84.3Confident93.4Very high41 Ų4162.5 Ų62.542%0.42332%0.319SS..SBendtrans146.7146.5178.700000114
321S84.3Confident93.5Very high117 Ų11767.1 Ų67.182%0.81834%0.341SS*.SBendtrans-81.7-12.9177.755.30000114
322K91.6Very high93.7Very high132 Ų13268.8 Ų68.857%0.57435%0.347SS*.  trans-99.8123.9-177.6-65.1178.2-177.4173.30111.3F324 R363K322-F324 PolarHBondContact O-N 3.33Å; K322-R363 WeakPolarHBondContact O-CD 3.39Å; K322-R363 VanDerWaalsContact O-CG 3.31Å; K322-R363 WeakPolarHBondContact O-CG 3.47Å; K322-R363 PolarHBondContact O-NH1 3.15Å
323V93.8Very high93.8Very high33 Ų3367 Ų6720%0.233%0.333CS..SBendtrans-64-23.1179.6-63.80000114.4Y358 T359 M362 R363V323-Y358 HydrophobicContact CG1-CD1 4.22Å; V323-Y358 HydrophobicContact CG1-CE1 3.65Å; V323-T359 HydrophobicContact CG1-CG2 4.06Å; V323-M362 HydrophobicContact CB-CB 3.82Å; V323-M362 HydrophobicContact CB-CG 4.27Å; V323-M362 HydrophobicContact CG1-CB 4.38Å; V323-M362 CarbonylContact O-C 3.43Å; V323-M362 VanDerWaalsContact O-CB 3.31Å; V323-M362 WeakPolarHBondContact O-CB 3.48Å; V323-R363 PolarHBondContact O-N 3.12Å
324F94.1Very high93.9Very high123 Ų12369 Ų6954%0.53934%0.343SS..SBendtrans-105.7144.7173.9-60.1-66.7000109.7K322 M362K322-F324 PolarHBondContact O-N 3.33Å; F324-M362 HydrophobicContact CE1-CE 3.87Å; F324-M362 HydrophobicContact CZ-CE 4.15Å
325L95.5Very high93.9Very high20 Ų2076.3 Ų76.311%0.10538%0.375CS..  trans-71.2141.3167-59.9175.7000109.6L317 E329 S330 R363 C366 A367L317-L325 HydrophobicContact CD1-CD1 3.98Å; L317-L325 HydrophobicContact CD1-CD2 3.65Å; L317-L325 HydrophobicContact CD1-CG 4.48Å; L317-L325 HydrophobicContact CG-CD1 4.5Å; L317-L325 HydrophobicContact CG-CD2 4.16Å; L325-E329 VanDerWaalsContact CA-OE2 3.26Å; L325-E329 WeakPolarHBondContact CA-OE2 3.39Å; L325-E329 HydrophobicContact CB-CB 4.19Å; L325-E329 HydrophobicContact CD2-CB 4.29Å; L325-S330 WeakPolarHBondContact CB-OG 3.39Å; L325-R363 HydrophobicContact CD2-CB 4.34Å; L325-R363 HydrophobicContact CD2-CG 4.38Å; L325-C366 HydrophobicContact CB-CB 4.28Å; L325-C366 HydrophobicContact CD1-CB 3.68Å; L325-C366 HydrophobicContact CG-CB 3.67Å; L325-A367 HydrophobicContact CD1-CB 4.42Å
326T95.3Very high93.9Very high43 Ų4377.2 Ų77.226%0.26438%0.376SS..  trans-71.4171.4165.882.90000110.7E328 E329 S330T326-E328 WeakPolarHBondContact CB-OE2 3.43Å; T326-E328 PolarHBondContact O-N 3.37Å; T326-E328 PolarHBondContact OG1-N 3.17Å; T326-E328 PolarHBondContact OG1-OE2 3.05Å; T326-E329 HydrophobicContact CG2-CG 4.49Å; T326-E329 PolarHBondContact N-OE2 3.19Å; T326-E329 PolarHBondContact OG1-N 3.06Å; T326-S330 WeakPolarHBondContact O-CB 3.49Å; T326-S330 PolarHBondContact O-N 2.79Å; T326-S330 PolarHBondContact O-OG 2.94Å
327R95.4Very high93.9Very high181 Ų18171.6 Ų71.668%0.68336%0.355SS*.Hα-helixtrans-61.2-40.3175177.3-176.4-173.9168.84.6110.7S330 Q331R327-S330 PolarHBondContact O-N 3.17Å; R327-Q331 WeakPolarHBondContact O-CB 3.45Å; R327-Q331 VanDerWaalsContact O-CG 3.28Å; R327-Q331 WeakPolarHBondContact O-CG 3.41Å; R327-Q331 PolarHBondContact O-N 3.42Å
328E95.3Very high93.9Very high121 Ų12174.5 Ų74.557%0.56538%0.376SS*.Hα-helixtrans-69.6-46-178-55.465.9-139.200110.4T326 S330 Q331 H332T326-E328 WeakPolarHBondContact CB-OE2 3.43Å; T326-E328 PolarHBondContact O-N 3.37Å; T326-E328 PolarHBondContact OG1-N 3.17Å; T326-E328 PolarHBondContact OG1-OE2 3.05Å; E328-S330 VanDerWaalsContact C-N 3.33Å; E328-S330 PolarHBondContact O-N 3.39Å; E328-Q331 PolarHBondContact O-N 3.39Å; E328-H332 VanDerWaalsContact O-CB 3.31Å; E328-H332 WeakPolarHBondContact O-CB 3.29Å; E328-H332 PolarHBondContact O-N 3.39Å
329E95.6Very high93.8Very high61 Ų6178 Ų7829%0.28540%0.397SS..Hα-helixtrans-57.9-45.1172.1-69178.8130.700111.2L325 T326 H332 F333 R363L325-E329 VanDerWaalsContact CA-OE2 3.26Å; L325-E329 WeakPolarHBondContact CA-OE2 3.39Å; L325-E329 HydrophobicContact CB-CB 4.19Å; L325-E329 HydrophobicContact CD2-CB 4.29Å; T326-E329 HydrophobicContact CG2-CG 4.49Å; T326-E329 PolarHBondContact N-OE2 3.19Å; T326-E329 PolarHBondContact OG1-N 3.06Å; E329-H332 PolarHBondContact O-N 2.89Å; E329-F333 WeakPolarHBondContact O-CB 3.22Å; E329-F333 PolarHBondContact O-N 3.16Å; E329-R363 IonicContact OE1-CZ 3.67Å; E329-R363 IonicContact OE1-NH1 3.29Å; E329-R363 PolarHBondContact OE1-NH1 2.73Å; E329-R363 IonicContact OE1-NH2 3.85Å; E329-R363 PolarHBondContact OE1-NH2 3.27Å; E329-R363 IonicContact OE2-NH1 2.71Å; E329-R363 PolarHBondContact OE2-NH1 3.03Å; E329-R363 IonicContact OE2-NH2 3.46Å
330S95.9Very high93.9Very high22 Ų2273.1 Ų73.115%0.15438%0.375CS..Hα-helixtrans-66.7-40-179.6-54.50000112.7L325 T326 R327 E328 L334L325-S330 WeakPolarHBondContact CB-OG 3.39Å; T326-S330 WeakPolarHBondContact O-CB 3.49Å; T326-S330 PolarHBondContact O-N 2.79Å; T326-S330 PolarHBondContact O-OG 2.94Å; R327-S330 PolarHBondContact O-N 3.17Å; E328-S330 VanDerWaalsContact C-N 3.33Å; E328-S330 PolarHBondContact O-N 3.39Å; S330-L334 WeakPolarHBondContact O-CG 3.45Å; S330-L334 PolarHBondContact O-N 3.43Å; S330-L334 VanDerWaalsContact O-N 3.11Å
331Q96.1Very high94.3Very high110 Ų11072 Ų7251%0.51436%0.359SS..Hα-helixtrans-71.3-39.2176.6-75179.9-45.300112.1R327 E328 K335R327-Q331 WeakPolarHBondContact O-CB 3.45Å; R327-Q331 VanDerWaalsContact O-CG 3.28Å; R327-Q331 WeakPolarHBondContact O-CG 3.41Å; R327-Q331 PolarHBondContact O-N 3.42Å; E328-Q331 PolarHBondContact O-N 3.39Å; Q331-K335 WeakPolarHBondContact O-CB 3.46Å; Q331-K335 PolarHBondContact O-N 2.92Å
332H96.3Very high94.7Very high109 Ų10966.9 Ų66.951%0.50532%0.324SS..Hα-helixtrans-64.4-44.8174.8-166.9-78.3000111.3E328 E329 K335 E336E328-H332 VanDerWaalsContact O-CB 3.31Å; E328-H332 WeakPolarHBondContact O-CB 3.29Å; E328-H332 PolarHBondContact O-N 3.39Å; E329-H332 PolarHBondContact O-N 2.89Å; H332-K335 WeakPolarHBondContact O-CB 3.42Å; H332-K335 PolarHBondContact O-N 3.42Å; H332-E336 IonicContact CE1-OE2 3.85Å; H332-E336 PolarHBondContact CE1-OE2 3.05Å; H332-E336 IonicContact ND1-OE2 3.26Å; H332-E336 PolarHBondContact ND1-OE2 3.21Å; H332-E336 PolarHBondContact O-N 3.05Å
333F97.1Very high94.7Very high2 Ų265.7 Ų65.71%0.00932%0.32CS..Hα-helixtrans-55.2-56.5175.3168.1-115.8000112L313 I314 L317 E329 K335 E336 C337 V345 L349 A367 C370 L371L313-F333 HydrophobicContact CD1-CD2 4.14Å; L313-F333 HydrophobicContact CD2-CD2 4.13Å; L313-F333 HydrophobicContact CD2-CE2 4.29Å; L313-F333 HydrophobicContact CG-CD2 4.23Å; I314-F333 HydrophobicContact CD1-CE2 4.03Å; L317-F333 HydrophobicContact CD1-CB 3.86Å; L317-F333 HydrophobicContact CD1-CD2 4.15Å; L317-F333 HydrophobicContact CD1-CG 4.06Å; L317-F333 HydrophobicContact CD2-CB 4.49Å; L317-F333 HydrophobicContact CD2-CD1 4.36Å; L317-F333 HydrophobicContact CD2-CD2 3.3Å; L317-F333 HydrophobicContact CD2-CE1 4.47Å; L317-F333 HydrophobicContact CD2-CE2 3.43Å; L317-F333 VanDerWaalsContact CD2-CE2 3.43Å; L317-F333 HydrophobicContact CD2-CG 3.8Å; L317-F333 HydrophobicContact CD2-CZ 4.06Å; L317-F333 HydrophobicContact CG-CD2 4.28Å; E329-F333 WeakPolarHBondContact O-CB 3.22Å; E329-F333 PolarHBondContact O-N 3.16Å; F333-K335 PolarHBondContact O-N 3.4Å; F333-E336 PolarHBondContact O-N 2.93Å; F333-C337 WeakPolarHBondContact CE2-SG 3.49Å; F333-C337 VanDerWaalsContact CZ-SG 3.55Å; F333-C337 WeakPolarHBondContact O-CB 3.49Å; F333-C337 PolarHBondContact O-N 2.89Å; F333-C337 PolarHBondContact O-SG 3.47Å; F333-V345 HydrophobicContact CE2-CG1 4.06Å; F333-V345 HydrophobicContact CZ-CG1 4.27Å; F333-L349 HydrophobicContact CZ-CD1 3.98Å; F333-A367 HydrophobicContact CD1-CB 4.43Å; F333-A367 HydrophobicContact CE1-CB 3.78Å; F333-A367 HydrophobicContact CE2-CB 4.36Å; F333-A367 HydrophobicContact CZ-CB 3.75Å; F333-C370 HydrophobicContact CD1-CB 4.31Å; F333-C370 HydrophobicContact CE1-CB 4.23Å; F333-L371 HydrophobicContact CE1-CD1 4.36Å; F333-L371 HydrophobicContact CE1-CD2 4.2Å; F333-L371 HydrophobicContact CE1-CG 3.87Å; F333-L371 HydrophobicContact CZ-CD1 3.88Å; F333-L371 HydrophobicContact CZ-CD2 4.23Å; F333-L371 HydrophobicContact CZ-CG 3.89Å
334L96.8Very high94.7Very high46 Ų4665.7 Ų65.724%0.24132%0.32CS..Hα-helixtrans-60.6-33.9179-70.3175.6000112.4S330 S338 C370 L371 L376S330-L334 WeakPolarHBondContact O-CG 3.45Å; S330-L334 PolarHBondContact O-N 3.43Å; S330-L334 VanDerWaalsContact O-N 3.11Å; L334-S338 PolarHBondContact O-N 3.02Å; L334-S338 VanDerWaalsContact O-N 3.08Å; L334-C370 HydrophobicContact CD1-CB 4.3Å; L334-C370 HydrophobicContact CD2-CB 4.14Å; L334-C370 HydrophobicContact CG-CB 4.3Å; L334-L371 HydrophobicContact CD2-CD2 3.83Å; L334-L376 HydrophobicContact CD2-CD1 4.08Å; L334-L376 WeakPolarHBondContact O-CD1 3.36Å
335K96Very high94.7Very high152 Ų15259.9 Ų59.966%0.66129%0.294SS*.Hα-helixtrans-65.6-48.4174.7-172.9-174.7175.9-169.90111.8Q331 H332 F333 S338Q331-K335 WeakPolarHBondContact O-CB 3.46Å; Q331-K335 PolarHBondContact O-N 2.92Å; H332-K335 WeakPolarHBondContact O-CB 3.42Å; H332-K335 PolarHBondContact O-N 3.42Å; F333-K335 PolarHBondContact O-N 3.4Å; K335-S338 PolarHBondContact O-N 3.15Å; K335-S338 PolarHBondContact O-OG 3.39Å
336E95.6Very high94.7Very high51 Ų5159 Ų5924%0.23829%0.29CS..Hα-helixtrans-64.2-41.4175.7-67.9-158.692.600111.3L313 R316 H332 F333 S338 T339 L340L313-E336 HydrophobicContact CD1-CB 3.94Å; L313-E336 HydrophobicContact CD1-CG 4.41Å; L313-E336 WeakPolarHBondContact CD1-OE2 3.39Å; L313-E336 HydrophobicContact CD2-CB 3.88Å; R316-E336 IonicContact CZ-OE2 3.77Å; R316-E336 IonicContact NE-OE2 2.93Å; R316-E336 IonicContact NH2-OE1 3.12Å; R316-E336 PolarHBondContact NH2-OE1 3.35Å; R316-E336 IonicContact NH2-OE2 2.8Å; R316-E336 PolarHBondContact NH2-OE2 3.05Å; H332-E336 IonicContact CE1-OE2 3.85Å; H332-E336 PolarHBondContact CE1-OE2 3.05Å; H332-E336 IonicContact ND1-OE2 3.26Å; H332-E336 PolarHBondContact ND1-OE2 3.21Å; H332-E336 PolarHBondContact O-N 3.05Å; F333-E336 PolarHBondContact O-N 2.93Å; E336-S338 VanDerWaalsContact C-N 3.27Å; E336-S338 PolarHBondContact O-N 2.93Å; E336-T339 PolarHBondContact O-N 2.91Å; E336-T339 PolarHBondContact O-OG1 2.95Å; E336-L340 WeakPolarHBondContact O-CG 3.45Å; E336-L340 PolarHBondContact O-N 3.3Å
337C95.4Very high94.7Very high0 Ų063.5 Ų63.50%031%0.308CS..Hα-helixtrans-53.4-40.8174.1-70.20000113.2F333 T339 L340 C342 L371 L376F333-C337 WeakPolarHBondContact CE2-SG 3.49Å; F333-C337 VanDerWaalsContact CZ-SG 3.55Å; F333-C337 WeakPolarHBondContact O-CB 3.49Å; F333-C337 PolarHBondContact O-N 2.89Å; F333-C337 PolarHBondContact O-SG 3.47Å; C337-T339 PolarHBondContact O-N 3.35Å; C337-L340 PolarHBondContact O-N 2.54Å; C337-L340 VanDerWaalsContact O-N 3.08Å; C337-C342 PolarHBondContact O-SG 3.42Å; C337-L371 HydrophobicContact CB-CD2 4.37Å; C337-L376 HydrophobicContact CB-CD1 3.71Å
338S93.6Very high94.6Very high72 Ų7256 Ų5650%0.50328%0.281SS..THydrogen-bonded Turntrans-62.3-11.4178.174.60000114.9L334 K335 E336L334-S338 PolarHBondContact O-N 3.02Å; L334-S338 VanDerWaalsContact O-N 3.08Å; K335-S338 PolarHBondContact O-N 3.15Å; K335-S338 PolarHBondContact O-OG 3.39Å; E336-S338 VanDerWaalsContact C-N 3.27Å; E336-S338 PolarHBondContact O-N 2.93Å
339T92.3Very high94.7Very high81 Ų8150.2 Ų50.250%0.49725%0.254SS..THydrogen-bonded Turntrans-110.8-3.5177.560.60000114.1E336 C337E336-T339 PolarHBondContact O-N 2.91Å; E336-T339 PolarHBondContact O-OG1 2.95Å; C337-T339 PolarHBondContact O-N 3.35Å
340L92.4Very high94.6Very high18 Ų1847.9 Ų47.99%0.09425%0.245CC..SBendtrans-121.8170.4-172-65.5179.9000111.5Q309 E310 L313 E336 C337 C342 V345Q309-L340 HydrophobicContact CB-CD1 4.44Å; Q309-L340 HydrophobicContact CB-CD2 3.63Å; Q309-L340 VanDerWaalsContact OE1-CD2 3.3Å; E310-L340 HydrophobicContact CG-CB 4.1Å; E310-L340 HydrophobicContact CG-CD1 4.4Å; L313-L340 HydrophobicContact CB-CD1 4.29Å; L313-L340 HydrophobicContact CD2-CD1 3.79Å; E336-L340 WeakPolarHBondContact O-CG 3.45Å; E336-L340 PolarHBondContact O-N 3.3Å; C337-L340 PolarHBondContact O-N 2.54Å; C337-L340 VanDerWaalsContact O-N 3.08Å; L340-C342 PolarHBondContact O-N 2.67Å; L340-V345 HydrophobicContact CB-CG2 4.46Å
341N91.5Very high94.5Very high18 Ų1849.9 Ų49.910%0.09626%0.259CS..  trans-74.996.6177.4-173.7-3.6000111.4E310 E343 V344 V345E310-N341 PolarHBondContact OE1-N 2.87Å; N341-E343 PolarHBondContact O-N 3.2Å; N341-E343 VanDerWaalsContact O-N 3.17Å; N341-E343 WeakPolarHBondContact OD1-CB 3.39Å; N341-E343 PolarHBondContact OD1-N 3.46Å; N341-E343 VanDerWaalsContact OD1-N 3.14Å; N341-V344 HydrophobicContact CB-CB 4.27Å; N341-V344 HydrophobicContact CB-CG2 4.28Å; N341-V344 WeakPolarHBondContact ND2-CG2 3.28Å; N341-V344 PolarHBondContact O-N 3.12Å; N341-V345 WeakPolarHBondContact O-CG2 3.34Å; N341-V345 PolarHBondContact O-N 3.45Å
342C93.5Very high94.4Very high10 Ų1046.7 Ų46.77%0.06824%0.243CC..Hα-helixtrans-58.6-26.6-179.5-77.60000114.6C337 L340 V345 V346 L377C337-C342 PolarHBondContact O-SG 3.42Å; L340-C342 PolarHBondContact O-N 2.67Å; C342-V345 PolarHBondContact O-N 3.22Å; C342-V346 WeakPolarHBondContact O-CG2 3.36Å; C342-V346 PolarHBondContact O-N 3.12Å; C342-L377 HydrophobicContact CB-CB 4.16Å
343E92.1Very high94.4Very high107 Ų10741.7 Ų41.750%0.522%0.22SC..Hα-helixtrans-63-48.2173.7-63.1-179.6157.900110.4N341 V346 E347 L377N341-E343 PolarHBondContact O-N 3.2Å; N341-E343 VanDerWaalsContact O-N 3.17Å; N341-E343 WeakPolarHBondContact OD1-CB 3.39Å; N341-E343 PolarHBondContact OD1-N 3.46Å; N341-E343 VanDerWaalsContact OD1-N 3.14Å; E343-V346 PolarHBondContact O-N 3.4Å; E343-E347 PolarHBondContact O-N 3.18Å; E343-L377 HydrophobicContact CG-CD1 3.72Å; E343-L377 HydrophobicContact CG-CD2 4.5Å
344V92.8Very high94.1Very high33 Ų3345.8 Ų45.820%0.224%0.239CC..Hα-helixtrans-67.7-38.2177.5173.70000111.6C307 E310 N341 V346 E347 L348C307-V344 HydrophobicContact CB-CG1 3.68Å; E310-V344 HydrophobicContact CB-CG1 4.1Å; E310-V344 HydrophobicContact CG-CB 4.39Å; E310-V344 HydrophobicContact CG-CG1 4.12Å; N341-V344 HydrophobicContact CB-CB 4.27Å; N341-V344 HydrophobicContact CB-CG2 4.28Å; N341-V344 WeakPolarHBondContact ND2-CG2 3.28Å; N341-V344 PolarHBondContact O-N 3.12Å; V344-V346 VanDerWaalsContact C-N 3.33Å; V344-V346 PolarHBondContact O-N 2.83Å; V344-E347 PolarHBondContact O-N 2.89Å; V344-L348 HydrophobicContact CG1-CD1 3.86Å; V344-L348 HydrophobicContact CG1-CG 4.23Å; V344-L348 WeakPolarHBondContact O-CB 3.19Å; V344-L348 VanDerWaalsContact O-CG 3.27Å; V344-L348 WeakPolarHBondContact O-CG 3.42Å; V344-L348 PolarHBondContact O-N 3.39Å
345V95.4Very high93.7Very high0 Ų046 Ų460%024%0.241CC..Hα-helixtrans-58.8-43.7173.91750000111.2E310 I314 F333 L340 N341 C342 L349 L371E310-V345 HydrophobicContact CB-CG2 4.04Å; E310-V345 HydrophobicContact CG-CG2 3.63Å; I314-V345 HydrophobicContact CD1-CG1 3.92Å; I314-V345 HydrophobicContact CG1-CG1 4.45Å; F333-V345 HydrophobicContact CE2-CG1 4.06Å; F333-V345 HydrophobicContact CZ-CG1 4.27Å; L340-V345 HydrophobicContact CB-CG2 4.46Å; N341-V345 WeakPolarHBondContact O-CG2 3.34Å; N341-V345 PolarHBondContact O-N 3.45Å; C342-V345 PolarHBondContact O-N 3.22Å; V345-L349 HydrophobicContact CG1-CD1 4.26Å; V345-L349 WeakPolarHBondContact O-CB 3.49Å; V345-L349 WeakPolarHBondContact O-CG 3.35Å; V345-L349 PolarHBondContact O-N 3.22Å; V345-L371 HydrophobicContact CG1-CD1 4.25Å
346V95.3Very high93.2Very high2 Ų247.2 Ų47.21%0.01225%0.253CS..Hα-helixtrans-69.3-39.1178176.20000111.7C342 E343 V344 L349 S350 L371 L377 T382 A385 T386C342-V346 WeakPolarHBondContact O-CG2 3.36Å; C342-V346 PolarHBondContact O-N 3.12Å; E343-V346 PolarHBondContact O-N 3.4Å; V344-V346 VanDerWaalsContact C-N 3.33Å; V344-V346 PolarHBondContact O-N 2.83Å; V346-L349 WeakPolarHBondContact O-CB 3.32Å; V346-L349 PolarHBondContact O-N 3.35Å; V346-S350 WeakPolarHBondContact O-CB 3.48Å; V346-S350 PolarHBondContact O-N 3.13Å; V346-L371 HydrophobicContact CG2-CD1 3.55Å; V346-L377 HydrophobicContact CB-CD2 4.47Å; V346-L377 HydrophobicContact CG2-CD2 3.86Å; V346-T382 HydrophobicContact CG1-CG2 4.43Å; V346-T382 HydrophobicContact CG2-CG2 4.16Å; V346-A385 HydrophobicContact CG1-CB 3.62Å; V346-T386 HydrophobicContact CG1-CG2 3.66Å
347E94.1Very high93Very high137 Ų13747.3 Ų47.364%0.6426%0.259SS*.Hα-helixtrans-65.7-43.3177.4-172159.8-138.700112E343 V344 L349 S350 S351E343-E347 PolarHBondContact O-N 3.18Å; V344-E347 PolarHBondContact O-N 2.89Å; E347-L349 VanDerWaalsContact C-N 3.34Å; E347-L349 PolarHBondContact O-N 3.04Å; E347-S350 WeakPolarHBondContact O-CB 3.47Å; E347-S350 PolarHBondContact O-N 3.42Å; E347-S350 VanDerWaalsContact O-N 3.16Å; E347-S351 PolarHBondContact O-N 3.27Å
348L94.8Very high92.9Very high23 Ų2352.4 Ų52.412%0.1228%0.28CS..Hα-helixtrans-61.9-39.1171.9-70.6171.6000112.1L304 E310 M311 I314 V344 S351 K352L304-L348 HydrophobicContact CD2-CD2 4.4Å; E310-L348 HydrophobicContact CB-CD1 3.71Å; M311-L348 HydrophobicContact CB-CD1 4.32Å; M311-L348 HydrophobicContact SD-CD2 4.03Å; I314-L348 HydrophobicContact CG1-CB 4.15Å; V344-L348 HydrophobicContact CG1-CD1 3.86Å; V344-L348 HydrophobicContact CG1-CG 4.23Å; V344-L348 WeakPolarHBondContact O-CB 3.19Å; V344-L348 VanDerWaalsContact O-CG 3.27Å; V344-L348 WeakPolarHBondContact O-CG 3.42Å; V344-L348 PolarHBondContact O-N 3.39Å; L348-S351 WeakPolarHBondContact O-CB 3.35Å; L348-S351 PolarHBondContact O-N 2.85Å; L348-K352 WeakPolarHBondContact O-CG 3.31Å; L348-K352 PolarHBondContact O-N 2.87Å
349L95.9Very high93Very high0 Ų051 Ų510%027%0.268CS..Hα-helixtrans-63.3-42171.8-79.7170.3000112.2I314 F333 V345 V346 E347 S351 K352 L353 A364 A367 V368 L371I314-L349 HydrophobicContact CD1-CD1 4.15Å; I314-L349 HydrophobicContact CD1-CD2 3.7Å; I314-L349 HydrophobicContact CD1-CG 3.62Å; I314-L349 HydrophobicContact CG1-CG 4.41Å; I314-L349 HydrophobicContact CG2-CD2 4.5Å; F333-L349 HydrophobicContact CZ-CD1 3.98Å; V345-L349 HydrophobicContact CG1-CD1 4.26Å; V345-L349 WeakPolarHBondContact O-CB 3.49Å; V345-L349 WeakPolarHBondContact O-CG 3.35Å; V345-L349 PolarHBondContact O-N 3.22Å; V346-L349 WeakPolarHBondContact O-CB 3.32Å; V346-L349 PolarHBondContact O-N 3.35Å; E347-L349 VanDerWaalsContact C-N 3.34Å; E347-L349 PolarHBondContact O-N 3.04Å; L349-S351 VanDerWaalsContact C-N 3.3Å; L349-S351 PolarHBondContact O-N 3.49Å; L349-K352 CarbonylContact O-C 3.35Å; L349-K352 WeakPolarHBondContact O-CA 3.47Å; L349-K352 PolarHBondContact O-N 3.23Å; L349-K352 VanDerWaalsContact O-N 3.13Å; L349-L353 WeakPolarHBondContact O-CG 3.5Å; L349-L353 PolarHBondContact O-N 3.15Å; L349-A364 HydrophobicContact CD2-CB 4.02Å; L349-A367 HydrophobicContact CD1-CB 3.75Å; L349-A367 HydrophobicContact CD2-CB 3.6Å; L349-A367 HydrophobicContact CG-CB 4.36Å; L349-V368 HydrophobicContact CB-CG2 4.06Å; L349-V368 HydrophobicContact CD1-CG2 4.21Å; L349-L371 HydrophobicContact CD1-CD1 3.84Å
350S95Very high93.1Very high13 Ų1348 Ų489%0.09125%0.249CC..Hα-helixtrans-62.8-37.9176.3-163.70000111.6V346 E347 L353 A385 R389V346-S350 WeakPolarHBondContact O-CB 3.48Å; V346-S350 PolarHBondContact O-N 3.13Å; E347-S350 WeakPolarHBondContact O-CB 3.47Å; E347-S350 PolarHBondContact O-N 3.42Å; E347-S350 VanDerWaalsContact O-N 3.16Å; S350-L353 WeakPolarHBondContact O-CB 3.35Å; S350-L353 PolarHBondContact O-N 3.41Å; S350-A385 WeakPolarHBondContact CB-O 3.37Å; S350-A385 PolarHBondContact OG-O 2.86Å; S350-R389 WeakPolarHBondContact OG-CG 3.22Å
351S93.8Very high93.3Very high63 Ų6349 Ų4944%0.44125%0.253SS..Hα-helixtrans-60.3-49.3169.3-169.30000111.4E347 L348 L349 L353 Q354E347-S351 PolarHBondContact O-N 3.27Å; L348-S351 WeakPolarHBondContact O-CB 3.35Å; L348-S351 PolarHBondContact O-N 2.85Å; L349-S351 VanDerWaalsContact C-N 3.3Å; L349-S351 PolarHBondContact O-N 3.49Å; S351-L353 PolarHBondContact O-N 3.3Å; S351-L353 VanDerWaalsContact O-N 3.16Å; S351-Q354 WeakPolarHBondContact O-CB 3.45Å; S351-Q354 PolarHBondContact O-N 3.36Å
352K93.9Very high93.5Very high44 Ų4448.3 Ų48.319%0.19125%0.249CC..Hα-helixtrans-63.1-17.9177.4-72.4-66.5177-175.90115.5I314 T318 L348 L349 Q354 D355 V360 A364I314-K352 HydrophobicContact CG2-CG 3.68Å; T318-K352 HydrophobicContact CG2-CG 4.36Å; L348-K352 WeakPolarHBondContact O-CG 3.31Å; L348-K352 PolarHBondContact O-N 2.87Å; L349-K352 CarbonylContact O-C 3.35Å; L349-K352 WeakPolarHBondContact O-CA 3.47Å; L349-K352 PolarHBondContact O-N 3.23Å; L349-K352 VanDerWaalsContact O-N 3.13Å; K352-Q354 PolarHBondContact O-N 3.28Å; K352-D355 WeakPolarHBondContact CD-OD2 3.45Å; K352-D355 IonicContact NZ-OD2 3.6Å; K352-D355 PolarHBondContact NZ-OD2 3.07Å; K352-D355 PolarHBondContact O-N 3.17Å; K352-V360 HydrophobicContact CB-CG1 4.39Å; K352-V360 HydrophobicContact CD-CG1 4.02Å; K352-A364 HydrophobicContact CB-CB 4.17Å
353L94.6Very high93.7Very high3 Ų348 Ų482%0.01625%0.247CC..THydrogen-bonded Turntrans-67.8-11.8169.2-68.5-178.7000113.3L349 S350 S351 K361 A364 L365 R389 L390 L393L349-L353 WeakPolarHBondContact O-CG 3.5Å; L349-L353 PolarHBondContact O-N 3.15Å; S350-L353 WeakPolarHBondContact O-CB 3.35Å; S350-L353 PolarHBondContact O-N 3.41Å; S351-L353 PolarHBondContact O-N 3.3Å; S351-L353 VanDerWaalsContact O-N 3.16Å; L353-K361 WeakPolarHBondContact O-CE 3.41Å; L353-A364 HydrophobicContact CD2-CB 3.89Å; L353-L365 HydrophobicContact CD1-CD2 4.31Å; L353-L365 HydrophobicContact CD2-CB 4.47Å; L353-L365 HydrophobicContact CD2-CD2 3.51Å; L353-L365 HydrophobicContact CD2-CG 3.57Å; L353-R389 HydrophobicContact CB-CB 4.02Å; L353-R389 HydrophobicContact CD1-CB 4Å; L353-L390 HydrophobicContact CD1-CD2 4.2Å; L353-L390 HydrophobicContact CD1-CG 4.38Å; L353-L393 HydrophobicContact CB-CD1 4.02Å; L353-L393 HydrophobicContact CD2-CD1 4.03Å; L353-L393 HydrophobicContact CG-CD1 4.42Å
354Q92.4Very high93.9Very high89 Ų8942.9 Ų42.942%0.41622%0.223SC..SBendtrans-90.1-27.8176.4-59.6178.598.800113.4S351 K352 K361S351-Q354 WeakPolarHBondContact O-CB 3.45Å; S351-Q354 PolarHBondContact O-N 3.36Å; K352-Q354 PolarHBondContact O-N 3.28Å; Q354-K361 VanDerWaalsContact C-CE 3.49Å; Q354-K361 VanDerWaalsContact O-CE 3.31Å; Q354-K361 WeakPolarHBondContact O-CE 3.25Å; Q354-K361 PolarHBondContact O-NZ 3.32Å
355D88.3Confident94.1Very high50 Ų5041.3 Ų41.327%0.26721%0.213SC..  trans-46.5135.2-173.1-81.611.5000113.2K352 S357 V360 K361K352-D355 WeakPolarHBondContact CD-OD2 3.45Å; K352-D355 IonicContact NZ-OD2 3.6Å; K352-D355 PolarHBondContact NZ-OD2 3.07Å; K352-D355 PolarHBondContact O-N 3.17Å; D355-S357 PolarHBondContact O-N 3.16Å; D355-V360 HydrophobicContact CB-CB 4.36Å; D355-V360 HydrophobicContact CB-CG1 3.87Å; D355-V360 WeakPolarHBondContact OD2-CG1 3.48Å; D355-K361 VanDerWaalsContact O-CD 3.28Å; D355-K361 WeakPolarHBondContact O-CD 3.05Å; D355-K361 WeakPolarHBondContact O-CE 3.43Å; D355-K361 PolarHBondContact O-NZ 3.36Å
356L84.6Confident94.2Very high178 Ų17841.9 Ų41.993%0.93222%0.217SC*.SBendtrans-60.2-21.5-178.1-67.2173.4000113.5Y358L356-Y358 PolarHBondContact O-N 3.19Å
357S92.1Very high94.3Very high52 Ų5241.8 Ų41.836%0.36422%0.216SC..  trans-73.8119.3177.7179.80000112.9D355 T359 V360 K361D355-S357 PolarHBondContact O-N 3.16Å; S357-T359 VanDerWaalsContact C-N 3.29Å; S357-T359 PolarHBondContact O-N 2.85Å; S357-T359 PolarHBondContact OG-N 3.36Å; S357-T359 PolarHBondContact OG-OG1 3.36Å; S357-V360 PolarHBondContact O-N 3.4Å; S357-K361 PolarHBondContact O-N 2.94Å
358Y93.6Very high94.4Very high108 Ų10835.3 Ų35.342%0.42419%0.186SC..Hα-helixtrans-57.1-36.8172.7166.9-101.8000113.3V323 L356 M362 P400 V401V323-Y358 HydrophobicContact CG1-CD1 4.22Å; V323-Y358 HydrophobicContact CG1-CE1 3.65Å; L356-Y358 PolarHBondContact O-N 3.19Å; Y358-M362 HydrophobicContact CD2-CG 4.31Å; Y358-M362 HydrophobicContact CE2-CG 3.89Å; Y358-M362 WeakPolarHBondContact O-CG 3.46Å; Y358-M362 PolarHBondContact O-N 3.06Å; Y358-P400 HydrophobicContact CE2-CB 4.27Å; Y358-P400 HydrophobicContact CE2-CG 4.47Å; Y358-P400 WeakPolarHBondContact OH-CB 3.47Å; Y358-P400 WeakPolarHBondContact OH-CG 3.18Å; Y358-V401 HydrophobicContact CD2-CG2 3.64Å; Y358-V401 HydrophobicContact CE2-CG2 3.72Å
359T94.2Very high94.5Very high41 Ų4135.2 Ų35.225%0.25219%0.189SC..Hα-helixtrans-69.6-42179.5590000111.5V323 S357 M362 R363V323-T359 HydrophobicContact CG1-CG2 4.06Å; S357-T359 VanDerWaalsContact C-N 3.29Å; S357-T359 PolarHBondContact O-N 2.85Å; S357-T359 PolarHBondContact OG-N 3.36Å; S357-T359 PolarHBondContact OG-OG1 3.36Å; T359-M362 PolarHBondContact O-N 3.44Å; T359-R363 WeakPolarHBondContact O-CG 3.48Å; T359-R363 PolarHBondContact O-N 2.89Å
360V95.4Very high94.5Very high19 Ų1936.1 Ų36.112%0.11520%0.195CC..Hα-helixtrans-62.1-49.1176.6172.10000110.5T318 K352 D355 S357 M362 R363 A364T318-V360 HydrophobicContact CG2-CG1 3.92Å; K352-V360 HydrophobicContact CB-CG1 4.39Å; K352-V360 HydrophobicContact CD-CG1 4.02Å; D355-V360 HydrophobicContact CB-CB 4.36Å; D355-V360 HydrophobicContact CB-CG1 3.87Å; D355-V360 WeakPolarHBondContact OD2-CG1 3.48Å; S357-V360 PolarHBondContact O-N 3.4Å; V360-M362 VanDerWaalsContact C-N 3.33Å; V360-M362 PolarHBondContact O-N 3.46Å; V360-R363 PolarHBondContact O-N 3.25Å; V360-A364 VanDerWaalsContact O-CB 3.31Å; V360-A364 WeakPolarHBondContact O-CB 3.28Å; V360-A364 PolarHBondContact O-N 3.03Å
361K95.1Very high94.6Very high38 Ų3835.7 Ų35.717%0.16519%0.192CC..Hα-helixtrans-54.1-46.4174.2-84.4172.7167.7138.70112.3L353 Q354 D355 S357 L365 L393 V401L353-K361 WeakPolarHBondContact O-CE 3.41Å; Q354-K361 VanDerWaalsContact C-CE 3.49Å; Q354-K361 VanDerWaalsContact O-CE 3.31Å; Q354-K361 WeakPolarHBondContact O-CE 3.25Å; Q354-K361 PolarHBondContact O-NZ 3.32Å; D355-K361 VanDerWaalsContact O-CD 3.28Å; D355-K361 WeakPolarHBondContact O-CD 3.05Å; D355-K361 WeakPolarHBondContact O-CE 3.43Å; D355-K361 PolarHBondContact O-NZ 3.36Å; S357-K361 PolarHBondContact O-N 2.94Å; K361-L365 WeakPolarHBondContact O-CB 3.44Å; K361-L365 VanDerWaalsContact O-CG 3.25Å; K361-L365 WeakPolarHBondContact O-CG 3.45Å; K361-L365 PolarHBondContact O-N 3.2Å; K361-L393 HydrophobicContact CD-CD2 4.3Å; K361-V401 HydrophobicContact CB-CG2 4.24Å
362M97Very high94.6Very high4 Ų433.7 Ų33.72%0.0218%0.176CC..Hα-helixtrans-67.8-40.5179.3-73.6-67.2-71.100113.3V323 F324 Y358 T359 V360 L365 C366 P400 V401 K404V323-M362 HydrophobicContact CB-CB 3.82Å; V323-M362 HydrophobicContact CB-CG 4.27Å; V323-M362 HydrophobicContact CG1-CB 4.38Å; V323-M362 CarbonylContact O-C 3.43Å; V323-M362 VanDerWaalsContact O-CB 3.31Å; V323-M362 WeakPolarHBondContact O-CB 3.48Å; F324-M362 HydrophobicContact CE1-CE 3.87Å; F324-M362 HydrophobicContact CZ-CE 4.15Å; Y358-M362 HydrophobicContact CD2-CG 4.31Å; Y358-M362 HydrophobicContact CE2-CG 3.89Å; Y358-M362 WeakPolarHBondContact O-CG 3.46Å; Y358-M362 PolarHBondContact O-N 3.06Å; T359-M362 PolarHBondContact O-N 3.44Å; V360-M362 VanDerWaalsContact C-N 3.33Å; V360-M362 PolarHBondContact O-N 3.46Å; M362-L365 PolarHBondContact O-N 3.49Å; M362-C366 PolarHBondContact O-N 3.37Å; M362-C366 PolarHBondContact O-SG 2.97Å; M362-P400 HydrophobicContact CE-CB 4.06Å; M362-P400 HydrophobicContact SD-CB 4.23Å; M362-V401 HydrophobicContact CG-CG2 3.73Å; M362-V401 HydrophobicContact SD-CB 4.32Å; M362-V401 HydrophobicContact SD-CG2 3.61Å; M362-K404 HydrophobicContact CE-CD 4.05Å; M362-K404 HydrophobicContact SD-CD 4.32Å
363R96.9Very high94.5Very high3 Ų336.7 Ų36.71%0.01120%0.198CC..Hα-helixtrans-67.8-42176.2-70.8174.77580.8-9.5111.5L317 E319 K322 V323 L325 E329 T359 V360 C366 A367L317-R363 VanDerWaalsContact O-CZ 3.27Å; L317-R363 PolarHBondContact O-NE 3.12Å; L317-R363 PolarHBondContact O-NH2 3Å; E319-R363 PolarHBondContact O-NE 2.71Å; E319-R363 PolarHBondContact O-NH2 3.4Å; K322-R363 WeakPolarHBondContact O-CD 3.39Å; K322-R363 VanDerWaalsContact O-CG 3.31Å; K322-R363 WeakPolarHBondContact O-CG 3.47Å; K322-R363 PolarHBondContact O-NH1 3.15Å; V323-R363 PolarHBondContact O-N 3.12Å; L325-R363 HydrophobicContact CD2-CB 4.34Å; L325-R363 HydrophobicContact CD2-CG 4.38Å; E329-R363 IonicContact OE1-CZ 3.67Å; E329-R363 IonicContact OE1-NH1 3.29Å; E329-R363 PolarHBondContact OE1-NH1 2.73Å; E329-R363 IonicContact OE1-NH2 3.85Å; E329-R363 PolarHBondContact OE1-NH2 3.27Å; E329-R363 IonicContact OE2-NH1 2.71Å; E329-R363 PolarHBondContact OE2-NH1 3.03Å; E329-R363 IonicContact OE2-NH2 3.46Å; T359-R363 WeakPolarHBondContact O-CG 3.48Å; T359-R363 PolarHBondContact O-N 2.89Å; V360-R363 PolarHBondContact O-N 3.25Å; R363-C366 WeakPolarHBondContact O-CA 3.22Å; R363-C366 VanDerWaalsContact O-CB 3.29Å; R363-C366 WeakPolarHBondContact O-CB 3.48Å; R363-C366 PolarHBondContact O-N 2.87Å; R363-A367 PolarHBondContact O-N 3.36Å
364A97.1Very high94.4Very high0 Ų037.5 Ų37.50%020%0.204CC..Hα-helixtrans-62.1-43.1173.200000112.1T318 L349 K352 L353 V360 C366 A367 V368T318-A364 HydrophobicContact CG2-CB 4.49Å; L349-A364 HydrophobicContact CD2-CB 4.02Å; K352-A364 HydrophobicContact CB-CB 4.17Å; L353-A364 HydrophobicContact CD2-CB 3.89Å; V360-A364 VanDerWaalsContact O-CB 3.31Å; V360-A364 WeakPolarHBondContact O-CB 3.28Å; V360-A364 PolarHBondContact O-N 3.03Å; A364-C366 PolarHBondContact O-N 3.49Å; A364-A367 WeakPolarHBondContact O-CB 3.28Å; A364-A367 PolarHBondContact O-N 2.95Å; A364-A367 VanDerWaalsContact O-N 3.16Å; A364-V368 WeakPolarHBondContact O-CG2 3.42Å; A364-V368 PolarHBondContact O-N 3.1Å
365L97.3Very high94.3Very high0 Ų041.7 Ų41.70%023%0.229CC..Hα-helixtrans-63.4-24.1171.1-72.6174000112.9L353 K361 M362 A369 L390 L393 V401 K404 A405 I408L353-L365 HydrophobicContact CD1-CD2 4.31Å; L353-L365 HydrophobicContact CD2-CB 4.47Å; L353-L365 HydrophobicContact CD2-CD2 3.51Å; L353-L365 HydrophobicContact CD2-CG 3.57Å; K361-L365 WeakPolarHBondContact O-CB 3.44Å; K361-L365 VanDerWaalsContact O-CG 3.25Å; K361-L365 WeakPolarHBondContact O-CG 3.45Å; K361-L365 PolarHBondContact O-N 3.2Å; M362-L365 PolarHBondContact O-N 3.49Å; L365-A369 WeakPolarHBondContact O-CB 3.03Å; L365-A369 PolarHBondContact O-N 2.72Å; L365-L390 HydrophobicContact CD2-CD2 3.44Å; L365-L390 VanDerWaalsContact CD2-CD2 3.44Å; L365-L393 HydrophobicContact CD1-CD1 4.38Å; L365-L393 HydrophobicContact CD2-CD1 4.28Å; L365-V401 HydrophobicContact CD1-CG1 4.02Å; L365-K404 VanDerWaalsContact C-NZ 3.34Å; L365-K404 HydrophobicContact CB-CD 3.86Å; L365-K404 HydrophobicContact CB-CG 4.32Å; L365-K404 HydrophobicContact CD1-CB 4.19Å; L365-K404 HydrophobicContact CD1-CD 4.48Å; L365-K404 HydrophobicContact CD1-CG 4.49Å; L365-K404 PolarHBondContact O-NZ 2.88Å; L365-A405 HydrophobicContact CD2-CB 4.33Å; L365-I408 HydrophobicContact CB-CD1 4.13Å; L365-I408 HydrophobicContact CD2-CD1 3.94Å; L365-I408 VanDerWaalsContact O-CD1 3.26Å; L365-I408 WeakPolarHBondContact O-CD1 3.37Å
366C96.9Very high94.4Very high12 Ų1242.2 Ų42.28%0.08123%0.231CC..Hα-helixtrans-73.2-47170.3-64.50000110.9L325 M362 R363 A364 V368 A369 C370 K404L325-C366 HydrophobicContact CB-CB 4.28Å; L325-C366 HydrophobicContact CD1-CB 3.68Å; L325-C366 HydrophobicContact CG-CB 3.67Å; M362-C366 PolarHBondContact O-N 3.37Å; M362-C366 PolarHBondContact O-SG 2.97Å; R363-C366 WeakPolarHBondContact O-CA 3.22Å; R363-C366 VanDerWaalsContact O-CB 3.29Å; R363-C366 WeakPolarHBondContact O-CB 3.48Å; R363-C366 PolarHBondContact O-N 2.87Å; A364-C366 PolarHBondContact O-N 3.49Å; C366-V368 PolarHBondContact O-N 3.48Å; C366-A369 WeakPolarHBondContact O-CB 3.29Å; C366-A369 PolarHBondContact O-N 2.72Å; C366-A369 VanDerWaalsContact O-N 3.1Å; C366-C370 PolarHBondContact O-N 3.35Å; C366-C370 PolarHBondContact O-SG 3.3Å; C366-K404 VanDerWaalsContact SG-CE 3.53Å
367A97.2Very high94.7Very high0 Ų035 Ų350%019%0.194CC..Hα-helixtrans-58.1-46.3177.500000113L317 L325 F333 L349 R363 A364 A369 C370 L371L317-A367 HydrophobicContact CD2-CB 3.51Å; L325-A367 HydrophobicContact CD1-CB 4.42Å; F333-A367 HydrophobicContact CD1-CB 4.43Å; F333-A367 HydrophobicContact CE1-CB 3.78Å; F333-A367 HydrophobicContact CE2-CB 4.36Å; F333-A367 HydrophobicContact CZ-CB 3.75Å; L349-A367 HydrophobicContact CD1-CB 3.75Å; L349-A367 HydrophobicContact CD2-CB 3.6Å; L349-A367 HydrophobicContact CG-CB 4.36Å; R363-A367 PolarHBondContact O-N 3.36Å; A364-A367 WeakPolarHBondContact O-CB 3.28Å; A364-A367 PolarHBondContact O-N 2.95Å; A364-A367 VanDerWaalsContact O-N 3.16Å; A367-A369 VanDerWaalsContact C-N 3.29Å; A367-A369 PolarHBondContact O-N 2.93Å; A367-C370 WeakPolarHBondContact O-CB 3.38Å; A367-C370 PolarHBondContact O-N 3.13Å; A367-C370 VanDerWaalsContact O-N 3.12Å; A367-L371 PolarHBondContact O-N 3.39Å
368V97Very high94.7Very high1 Ų135.5 Ų35.51%0.00620%0.201CC..Hα-helixtrans-59.6-39.8174.4172.40000111.4L349 A364 C366 L371 M372 T386 I408 F412L349-V368 HydrophobicContact CB-CG2 4.06Å; L349-V368 HydrophobicContact CD1-CG2 4.21Å; A364-V368 WeakPolarHBondContact O-CG2 3.42Å; A364-V368 PolarHBondContact O-N 3.1Å; C366-V368 PolarHBondContact O-N 3.48Å; V368-L371 PolarHBondContact O-N 3.33Å; V368-M372 WeakPolarHBondContact O-CB 3.34Å; V368-M372 PolarHBondContact O-N 3.19Å; V368-T386 HydrophobicContact CG1-CG2 4.07Å; V368-T386 HydrophobicContact CG2-CG2 4.01Å; V368-I408 HydrophobicContact CG1-CG2 4.3Å; V368-F412 HydrophobicContact CG1-CE2 4.36Å
369A96.5Very high94.7Very high21 Ų2132.6 Ų32.617%0.17419%0.192CC..Hα-helixtrans-68.1-33.9176.400000112.6L365 C366 A367 M372 T373 I408L365-A369 WeakPolarHBondContact O-CB 3.03Å; L365-A369 PolarHBondContact O-N 2.72Å; C366-A369 WeakPolarHBondContact O-CB 3.29Å; C366-A369 PolarHBondContact O-N 2.72Å; C366-A369 VanDerWaalsContact O-N 3.1Å; A367-A369 VanDerWaalsContact C-N 3.29Å; A367-A369 PolarHBondContact O-N 2.93Å; A369-M372 HydrophobicContact CB-CE 4.48Å; A369-T373 PolarHBondContact O-N 3.33Å; A369-T373 PolarHBondContact O-OG1 3.38Å; A369-T373 VanDerWaalsContact O-OG1 3.13Å; A369-I408 HydrophobicContact CB-CD1 4.18Å; A369-I408 HydrophobicContact CB-CG1 4.21Å
370C96.3Very high94.7Very high20 Ų2037 Ų3714%0.13521%0.21CC..Hα-helixtrans-66.1-44.8173-64.20000111.8F333 L334 C366 A367 T373 S374F333-C370 HydrophobicContact CD1-CB 4.31Å; F333-C370 HydrophobicContact CE1-CB 4.23Å; L334-C370 HydrophobicContact CD1-CB 4.3Å; L334-C370 HydrophobicContact CD2-CB 4.14Å; L334-C370 HydrophobicContact CG-CB 4.3Å; C366-C370 PolarHBondContact O-N 3.35Å; C366-C370 PolarHBondContact O-SG 3.3Å; A367-C370 WeakPolarHBondContact O-CB 3.38Å; A367-C370 PolarHBondContact O-N 3.13Å; A367-C370 VanDerWaalsContact O-N 3.12Å; C370-T373 CarbonylContact O-C 3.36Å; C370-T373 PolarHBondContact O-N 2.83Å; C370-T373 VanDerWaalsContact O-N 3.11Å; C370-T373 PolarHBondContact O-OG1 3.28Å; C370-S374 PolarHBondContact O-N 3.13Å
371L95.8Very high94.5Very high4 Ų439.2 Ų39.22%0.02122%0.219CC..Hα-helixtrans-65.8-39.6178.4-71.2176.5000112.5F333 L334 C337 V345 V346 L349 A367 V368 T373 S374 L376 T382F333-L371 HydrophobicContact CE1-CD1 4.36Å; F333-L371 HydrophobicContact CE1-CD2 4.2Å; F333-L371 HydrophobicContact CE1-CG 3.87Å; F333-L371 HydrophobicContact CZ-CD1 3.88Å; F333-L371 HydrophobicContact CZ-CD2 4.23Å; F333-L371 HydrophobicContact CZ-CG 3.89Å; L334-L371 HydrophobicContact CD2-CD2 3.83Å; C337-L371 HydrophobicContact CB-CD2 4.37Å; V345-L371 HydrophobicContact CG1-CD1 4.25Å; V346-L371 HydrophobicContact CG2-CD1 3.55Å; L349-L371 HydrophobicContact CD1-CD1 3.84Å; A367-L371 PolarHBondContact O-N 3.39Å; V368-L371 PolarHBondContact O-N 3.33Å; L371-T373 PolarHBondContact O-N 3.31Å; L371-T373 VanDerWaalsContact O-N 3.17Å; L371-S374 WeakPolarHBondContact CA-OG 3.42Å; L371-S374 PolarHBondContact O-N 2.72Å; L371-S374 VanDerWaalsContact O-O 3.13Å; L371-S374 PolarHBondContact O-OG 3.27Å; L371-L376 HydrophobicContact CD2-CD1 4.31Å; L371-T382 HydrophobicContact CB-CG2 4.18Å
372M94.8Very high94.4Very high20 Ų2037.5 Ų37.510%0.09921%0.212CC..Hα-helixtrans-58.1-23.5171.7179.2-170.168.500113.1V368 A369 L379 I408 Q411 F412 L415V368-M372 WeakPolarHBondContact O-CB 3.34Å; V368-M372 PolarHBondContact O-N 3.19Å; A369-M372 HydrophobicContact CB-CE 4.48Å; M372-L379 HydrophobicContact CG-CD1 3.92Å; M372-I408 HydrophobicContact SD-CG2 4.19Å; M372-Q411 HydrophobicContact CE-CB 3.86Å; M372-Q411 HydrophobicContact CE-CG 3.44Å; M372-Q411 VanDerWaalsContact CE-CG 3.44Å; M372-Q411 HydrophobicContact SD-CB 3.86Å; M372-Q411 HydrophobicContact SD-CG 3.78Å; M372-F412 HydrophobicContact CB-CE1 4.08Å; M372-F412 HydrophobicContact CB-CZ 3.91Å; M372-F412 HydrophobicContact CG-CD1 3.98Å; M372-F412 HydrophobicContact CG-CE1 3.69Å; M372-F412 HydrophobicContact CG-CE2 4.3Å; M372-F412 HydrophobicContact CG-CG 4.4Å; M372-F412 HydrophobicContact CG-CZ 3.86Å; M372-F412 HydrophobicContact SD-CD1 4.19Å; M372-F412 HydrophobicContact SD-CD2 3.87Å; M372-F412 HydrophobicContact SD-CE1 4.25Å; M372-F412 HydrophobicContact SD-CE2 3.93Å; M372-F412 HydrophobicContact SD-CG 4Å; M372-F412 HydrophobicContact SD-CZ 4.12Å; M372-L415 HydrophobicContact CG-CD1 4.19Å
373T91Very high94.4Very high108 Ų10838.7 Ų38.766%0.66322%0.217SC*.THydrogen-bonded Turntrans-105.321.4176.356.90000113.4A369 C370 L371A369-T373 PolarHBondContact O-N 3.33Å; A369-T373 PolarHBondContact O-OG1 3.38Å; A369-T373 VanDerWaalsContact O-OG1 3.13Å; C370-T373 CarbonylContact O-C 3.36Å; C370-T373 PolarHBondContact O-N 2.83Å; C370-T373 VanDerWaalsContact O-N 3.11Å; C370-T373 PolarHBondContact O-OG1 3.28Å; L371-T373 PolarHBondContact O-N 3.31Å; L371-T373 VanDerWaalsContact O-N 3.17Å
374S92.3Very high94.1Very high20 Ų2046.7 Ų46.714%0.1425%0.247CC..SBendtrans-133.1146.3-18075.80000111.5C370 L371 L376C370-S374 PolarHBondContact O-N 3.13Å; L371-S374 WeakPolarHBondContact CA-OG 3.42Å; L371-S374 PolarHBondContact O-N 2.72Å; L371-S374 VanDerWaalsContact O-O 3.13Å; L371-S374 PolarHBondContact O-OG 3.27Å; S374-L376 PolarHBondContact O-N 2.8Å; S374-L376 VanDerWaalsContact O-N 3.15Å
375D90.8Very high93.9Very high176 Ų17648.6 Ų48.694%0.94126%0.263SS*.THydrogen-bonded Turntrans-80.814.1-179.2-50.7-60.1000113.6
376L90.4Very high93.9Very high61 Ų6148.6 Ų48.632%0.31926%0.263SS..THydrogen-bonded Turntrans-74.4-24.1-175-59.8-178.4000113.9L334 C337 L371 S374L334-L376 HydrophobicContact CD2-CD1 4.08Å; L334-L376 WeakPolarHBondContact O-CD1 3.36Å; C337-L376 HydrophobicContact CB-CD1 3.71Å; L371-L376 HydrophobicContact CD2-CD1 4.31Å; S374-L376 PolarHBondContact O-N 2.8Å; S374-L376 VanDerWaalsContact O-N 3.15Å
377L91.7Very high93.8Very high28 Ų2852.1 Ų52.115%0.14728%0.278CS..SBendtrans-147.4141.6175.6-171.866.9000109.4C342 E343 V346 L379 Q381C342-L377 HydrophobicContact CB-CB 4.16Å; E343-L377 HydrophobicContact CG-CD1 3.72Å; E343-L377 HydrophobicContact CG-CD2 4.5Å; V346-L377 HydrophobicContact CB-CD2 4.47Å; V346-L377 HydrophobicContact CG2-CD2 3.86Å; L377-L379 PolarHBondContact O-N 3.18Å; L377-Q381 HydrophobicContact CD1-CB 4.42Å; L377-Q381 HydrophobicContact CD2-CB 4.09Å; L377-Q381 HydrophobicContact CG-CB 4.09Å
378A91.7Very high93.7Very high61 Ų6157.2 Ų57.250%0.50431%0.305SS..  trans-55.5128.8177.700000111.1E380 Q381 T382A378-E380 PolarHBondContact O-N 2.91Å; A378-E380 VanDerWaalsContact O-N 3.08Å; A378-Q381 HydrophobicContact CB-CG 4.23Å; A378-Q381 WeakPolarHBondContact O-CB 3.46Å; A378-Q381 PolarHBondContact O-N 2.91Å; A378-T382 PolarHBondContact O-N 2.92Å; A378-T382 PolarHBondContact O-OG1 3.41Å
379L94.1Very high93.6Very high47 Ų4760.2 Ų60.225%0.24632%0.316CS..Hα-helixtrans-49-40.9-174.6-17774.2000113.3M372 L377 Q381 T382 F383 F412 L415 M416M372-L379 HydrophobicContact CG-CD1 3.92Å; L377-L379 PolarHBondContact O-N 3.18Å; L379-Q381 VanDerWaalsContact C-N 3.31Å; L379-Q381 PolarHBondContact O-N 3.23Å; L379-T382 PolarHBondContact O-N 3.32Å; L379-F383 WeakPolarHBondContact O-CB 3.36Å; L379-F383 PolarHBondContact O-N 3.01Å; L379-F412 HydrophobicContact CD1-CD1 3.66Å; L379-F412 HydrophobicContact CD1-CE1 3.67Å; L379-F412 HydrophobicContact CG-CD1 4.12Å; L379-F412 HydrophobicContact CG-CE1 4.33Å; L379-L415 HydrophobicContact CD1-CD1 4.14Å; L379-L415 HydrophobicContact CD2-CB 3.47Å; L379-L415 VanDerWaalsContact CD2-CB 3.47Å; L379-L415 HydrophobicContact CD2-CD1 4.45Å; L379-M416 HydrophobicContact CD2-CG 3.6Å; L379-M416 HydrophobicContact CG-CG 4.2Å
380E92.9Very high93.6Very high133 Ų13359.2 Ų59.262%0.62131%0.308SS*.Hα-helixtrans-61.5-34.9177.9-60.6-176.916900113.4A378 R384A378-E380 PolarHBondContact O-N 2.91Å; A378-E380 VanDerWaalsContact O-N 3.08Å; E380-R384 WeakPolarHBondContact O-CB 3.15Å; E380-R384 PolarHBondContact O-N 3.35Å
381Q92Very high93.6Very high67 Ų6760.1 Ų60.131%0.31331%0.314SS..Hα-helixtrans-76.4-44.1178.1-59.7-74.552.100110.2L377 A378 L379 F383 R384 A385L377-Q381 HydrophobicContact CD1-CB 4.42Å; L377-Q381 HydrophobicContact CD2-CB 4.09Å; L377-Q381 HydrophobicContact CG-CB 4.09Å; A378-Q381 HydrophobicContact CB-CG 4.23Å; A378-Q381 WeakPolarHBondContact O-CB 3.46Å; A378-Q381 PolarHBondContact O-N 2.91Å; L379-Q381 VanDerWaalsContact C-N 3.31Å; L379-Q381 PolarHBondContact O-N 3.23Å; Q381-F383 PolarHBondContact O-N 3.31Å; Q381-R384 PolarHBondContact O-N 3.1Å; Q381-A385 PolarHBondContact O-N 2.71Å
382T93.7Very high93.7Very high1 Ų164.3 Ų64.31%0.00633%0.333CS..Hα-helixtrans-57.8-39.7173.7-47.10000111.2V346 L371 A378 L379 T386 F412V346-T382 HydrophobicContact CG1-CG2 4.43Å; V346-T382 HydrophobicContact CG2-CG2 4.16Å; L371-T382 HydrophobicContact CB-CG2 4.18Å; A378-T382 PolarHBondContact O-N 2.92Å; A378-T382 PolarHBondContact O-OG1 3.41Å; L379-T382 PolarHBondContact O-N 3.32Å; T382-T386 WeakPolarHBondContact O-CG2 3.44Å; T382-T386 PolarHBondContact O-OG1 2.86Å; T382-F412 HydrophobicContact CG2-CE1 4.33Å; T382-F412 HydrophobicContact CG2-CZ 4Å
383F95.6Very high93.7Very high30 Ų3064.6 Ų64.613%0.13234%0.335CS..Hα-helixtrans-66.8-56.5171.7-177.3-112.4000111.8L379 Q381 A385 T386 Q387 L409 F412 M416L379-F383 WeakPolarHBondContact O-CB 3.36Å; L379-F383 PolarHBondContact O-N 3.01Å; Q381-F383 PolarHBondContact O-N 3.31Å; F383-A385 VanDerWaalsContact C-N 3.28Å; F383-A385 PolarHBondContact O-N 3.4Å; F383-T386 CarbonylContact O-C 3.54Å; F383-T386 PolarHBondContact O-N 3.12Å; F383-T386 PolarHBondContact O-OG1 3.17Å; F383-Q387 HydrophobicContact CD1-CB 4.39Å; F383-Q387 HydrophobicContact CD2-CB 4.36Å; F383-Q387 HydrophobicContact CE1-CB 4.13Å; F383-Q387 HydrophobicContact CE1-CG 3.85Å; F383-Q387 HydrophobicContact CE2-CB 4.11Å; F383-Q387 HydrophobicContact CE2-CG 3.99Å; F383-Q387 HydrophobicContact CZ-CB 4.01Å; F383-Q387 VanDerWaalsContact CZ-CD 3.42Å; F383-Q387 HydrophobicContact CZ-CG 3.52Å; F383-Q387 VanDerWaalsContact O-CB 3.32Å; F383-Q387 WeakPolarHBondContact O-CB 3.43Å; F383-Q387 PolarHBondContact O-N 3.12Å; F383-L409 HydrophobicContact CE2-CD2 4.05Å; F383-F412 HydrophobicContact CB-CD1 3.71Å; F383-F412 HydrophobicContact CB-CE1 3.8Å; F383-F412 HydrophobicContact CB-CG 4.22Å; F383-F412 HydrophobicContact CB-CZ 4.37Å; F383-F412 HydrophobicContact CD2-CB 3.55Å; F383-F412 AromaticContact CD2-CD1 3.88Å; F383-F412 HydrophobicContact CD2-CD1 3.88Å; F383-F412 AromaticContact CD2-CD2 3.7Å; F383-F412 HydrophobicContact CD2-CD2 3.7Å; F383-F412 HydrophobicContact CD2-CE1 4.45Å; F383-F412 HydrophobicContact CD2-CE2 4.29Å; F383-F412 AromaticContact CD2-CG 3.47Å; F383-F412 HydrophobicContact CD2-CG 3.47Å; F383-F412 VanDerWaalsContact CD2-CG 3.47Å; F383-F412 HydrophobicContact CE2-CB 3.88Å; F383-F412 HydrophobicContact CE2-CD2 4.38Å; F383-F412 HydrophobicContact CE2-CG 4.23Å; F383-F412 HydrophobicContact CG-CB 4.38Å; F383-F412 HydrophobicContact CG-CD1 4.2Å; F383-F412 HydrophobicContact CG-CG 4.24Å; F383-M416 HydrophobicContact CB-CE 4.4Å; F383-M416 HydrophobicContact CB-SD 4.04Å; F383-M416 HydrophobicContact CD1-CE 3.6Å; F383-M416 HydrophobicContact CD1-SD 3.96Å; F383-M416 HydrophobicContact CD2-CE 4.06Å; F383-M416 HydrophobicContact CE1-CE 3.72Å; F383-M416 HydrophobicContact CE2-CE 4.16Å; F383-M416 HydrophobicContact CG-CE 3.75Å; F383-M416 HydrophobicContact CG-SD 4.02Å; F383-M416 HydrophobicContact CZ-CE 3.99Å
384R92.2Very high94Very high171 Ų17161 Ų6165%0.64531%0.314SS*.Hα-helixtrans-49.4-46.9-177-178.9-170.6-58.2-158.52.9112.8E380 Q381 T386E380-R384 WeakPolarHBondContact O-CB 3.15Å; E380-R384 PolarHBondContact O-N 3.35Å; Q381-R384 PolarHBondContact O-N 3.1Å; R384-T386 VanDerWaalsContact C-N 3.34Å; R384-T386 PolarHBondContact O-N 3.29Å
385A92.7Very high94.1Very high40 Ų4067.6 Ų67.633%0.33134%0.343SS..Hα-helixtrans-72-23.9-177.900000113.5V346 S350 Q381 F383V346-A385 HydrophobicContact CG1-CB 3.62Å; S350-A385 WeakPolarHBondContact CB-O 3.37Å; S350-A385 PolarHBondContact OG-O 2.86Å; Q381-A385 PolarHBondContact O-N 2.71Å; F383-A385 VanDerWaalsContact C-N 3.28Å; F383-A385 PolarHBondContact O-N 3.4Å
386T95.7Very high94.2Very high0 Ų060.6 Ų60.60%031%0.312CS..Hα-helixtrans-107.7-20.6-176.360.40000114.6V346 V368 T382 F383 R384 L388 R389 L390V346-T386 HydrophobicContact CG1-CG2 3.66Å; V368-T386 HydrophobicContact CG1-CG2 4.07Å; V368-T386 HydrophobicContact CG2-CG2 4.01Å; T382-T386 WeakPolarHBondContact O-CG2 3.44Å; T382-T386 PolarHBondContact O-OG1 2.86Å; F383-T386 CarbonylContact O-C 3.54Å; F383-T386 PolarHBondContact O-N 3.12Å; F383-T386 PolarHBondContact O-OG1 3.17Å; R384-T386 VanDerWaalsContact C-N 3.34Å; R384-T386 PolarHBondContact O-N 3.29Å; T386-L388 PolarHBondContact O-N 2.78Å; T386-R389 PolarHBondContact O-N 3.47Å; T386-R389 VanDerWaalsContact O-N 3.07Å; T386-L390 WeakPolarHBondContact O-CG 3.41Å; T386-L390 PolarHBondContact O-N 3.01Å; T386-L390 WeakPolarHBondContact OG1-CD1 3.3Å
387Q95.4Very high94.3Very high85 Ų8563.2 Ų63.240%0.39733%0.333SS..Hα-helixtrans-49.2-53.1-171.7179.6-177.313.900112.8F383 R389 L390 C391F383-Q387 HydrophobicContact CD1-CB 4.39Å; F383-Q387 HydrophobicContact CD2-CB 4.36Å; F383-Q387 HydrophobicContact CE1-CB 4.13Å; F383-Q387 HydrophobicContact CE1-CG 3.85Å; F383-Q387 HydrophobicContact CE2-CB 4.11Å; F383-Q387 HydrophobicContact CE2-CG 3.99Å; F383-Q387 HydrophobicContact CZ-CB 4.01Å; F383-Q387 VanDerWaalsContact CZ-CD 3.42Å; F383-Q387 HydrophobicContact CZ-CG 3.52Å; F383-Q387 VanDerWaalsContact O-CB 3.32Å; F383-Q387 WeakPolarHBondContact O-CB 3.43Å; F383-Q387 PolarHBondContact O-N 3.12Å; Q387-R389 VanDerWaalsContact C-N 3.28Å; Q387-R389 PolarHBondContact O-N 3.34Å; Q387-L390 PolarHBondContact O-N 3.43Å; Q387-C391 PolarHBondContact O-N 3.3Å; Q387-C391 PolarHBondContact O-SG 3Å
388L95.5Very high94.4Very high107 Ų10768.1 Ų68.156%0.5637%0.366SS*.Hα-helixtrans-54.9-44.4-178-177.271.6000112T386 Q392T386-L388 PolarHBondContact O-N 2.78Å; L388-Q392 VanDerWaalsContact O-CG 3.24Å; L388-Q392 WeakPolarHBondContact O-CG 3.48Å; L388-Q392 PolarHBondContact O-N 2.88Å; L388-Q392 VanDerWaalsContact O-N 3.14Å
389R95.4Very high94.6Very high64 Ų6466.1 Ų66.124%0.24235%0.352CS..Hα-helixtrans-78.6-35.4-176.7-54.5-50.1-177170.45.4111.7S350 L353 T386 Q387 Q392 L393S350-R389 WeakPolarHBondContact OG-CG 3.22Å; L353-R389 HydrophobicContact CB-CB 4.02Å; L353-R389 HydrophobicContact CD1-CB 4Å; T386-R389 PolarHBondContact O-N 3.47Å; T386-R389 VanDerWaalsContact O-N 3.07Å; Q387-R389 VanDerWaalsContact C-N 3.28Å; Q387-R389 PolarHBondContact O-N 3.34Å; R389-Q392 PolarHBondContact O-N 3.43Å; R389-L393 WeakPolarHBondContact O-CB 3.46Å; R389-L393 VanDerWaalsContact O-CG 3.28Å; R389-L393 WeakPolarHBondContact O-CG 3.45Å; R389-L393 PolarHBondContact O-N 3.25Å
390L96.8Very high94.6Very high0 Ų067.1 Ų67.10%036%0.361CS..Hα-helixtrans-63-42.5172.1-70.5172000111.8L353 L365 T386 Q387 L393 S394 A405 I408 L409 F412L353-L390 HydrophobicContact CD1-CD2 4.2Å; L353-L390 HydrophobicContact CD1-CG 4.38Å; L365-L390 HydrophobicContact CD2-CD2 3.44Å; L365-L390 VanDerWaalsContact CD2-CD2 3.44Å; T386-L390 WeakPolarHBondContact O-CG 3.41Å; T386-L390 PolarHBondContact O-N 3.01Å; T386-L390 WeakPolarHBondContact OG1-CD1 3.3Å; Q387-L390 PolarHBondContact O-N 3.43Å; L390-L393 PolarHBondContact O-N 3.45Å; L390-S394 WeakPolarHBondContact O-CB 3.46Å; L390-S394 PolarHBondContact O-N 2.97Å; L390-S394 PolarHBondContact O-OG 3.49Å; L390-A405 HydrophobicContact CD2-CB 4.25Å; L390-I408 HydrophobicContact CD1-CG2 3.78Å; L390-I408 HydrophobicContact CD2-CB 4.38Å; L390-I408 HydrophobicContact CD2-CG2 4.09Å; L390-L409 HydrophobicContact CB-CD1 4.29Å; L390-L409 HydrophobicContact CB-CD2 3.61Å; L390-L409 HydrophobicContact CB-CG 3.87Å; L390-L409 HydrophobicContact CD1-CD2 4.18Å; L390-F412 HydrophobicContact CD1-CD2 4.26Å; L390-F412 HydrophobicContact CD1-CE2 3.9Å
391C96.3Very high94.8Very high39 Ų3961.8 Ų61.826%0.26434%0.338SS..Hα-helixtrans-61-53174.2-67.10000111.1Q387 L393 S394 E395Q387-C391 PolarHBondContact O-N 3.3Å; Q387-C391 PolarHBondContact O-SG 3Å; C391-L393 VanDerWaalsContact C-N 3.26Å; C391-L393 PolarHBondContact O-N 3.14Å; C391-S394 WeakPolarHBondContact CA-OG 3.31Å; C391-S394 PolarHBondContact O-N 3.41Å; C391-S394 PolarHBondContact O-OG 3.14Å; C391-E395 PolarHBondContact O-N 3.1Å
392Q96.2Very high95Very high92 Ų9258.9 Ų58.943%0.4333%0.325SS..Hα-helixtrans-54.5-38.6177-73.7168.9-3.700113.1L388 R389 G396L388-Q392 VanDerWaalsContact O-CG 3.24Å; L388-Q392 WeakPolarHBondContact O-CG 3.48Å; L388-Q392 PolarHBondContact O-N 2.88Å; L388-Q392 VanDerWaalsContact O-N 3.14Å; R389-Q392 PolarHBondContact O-N 3.43Å; Q392-G396 PolarHBondContact O-N 3.39Å
393L95.7Very high95.2Very high27 Ų2763.6 Ų63.614%0.14135%0.35CS..Hα-helixtrans-74.6-32.9175.6-70.2-179.5000113.1L353 K361 L365 R389 L390 C391 G396 V401 A402 A405L353-L393 HydrophobicContact CB-CD1 4.02Å; L353-L393 HydrophobicContact CD2-CD1 4.03Å; L353-L393 HydrophobicContact CG-CD1 4.42Å; K361-L393 HydrophobicContact CD-CD2 4.3Å; L365-L393 HydrophobicContact CD1-CD1 4.38Å; L365-L393 HydrophobicContact CD2-CD1 4.28Å; R389-L393 WeakPolarHBondContact O-CB 3.46Å; R389-L393 VanDerWaalsContact O-CG 3.28Å; R389-L393 WeakPolarHBondContact O-CG 3.45Å; R389-L393 PolarHBondContact O-N 3.25Å; L390-L393 PolarHBondContact O-N 3.45Å; C391-L393 VanDerWaalsContact C-N 3.26Å; C391-L393 PolarHBondContact O-N 3.14Å; L393-G396 PolarHBondContact O-N 2.88Å; L393-V401 HydrophobicContact CB-CG1 4.24Å; L393-V401 HydrophobicContact CD1-CG1 4.07Å; L393-V401 HydrophobicContact CD2-CG1 3.86Å; L393-V401 HydrophobicContact CG-CG1 4.28Å; L393-A402 VanDerWaalsContact O-CA 3.22Å; L393-A402 WeakPolarHBondContact O-CA 3.2Å; L393-A402 VanDerWaalsContact O-CB 3.24Å; L393-A402 WeakPolarHBondContact O-CB 3.47Å; L393-A405 HydrophobicContact CB-CB 3.74Å
394S96.5Very high95.2Very high31 Ų3164 Ų6422%0.21735%0.352CS..Hα-helixtrans-73.3-29.9178.568.80000113.9L390 C391 G396 T406 L409L390-S394 WeakPolarHBondContact O-CB 3.46Å; L390-S394 PolarHBondContact O-N 2.97Å; L390-S394 PolarHBondContact O-OG 3.49Å; C391-S394 WeakPolarHBondContact CA-OG 3.31Å; C391-S394 PolarHBondContact O-N 3.41Å; C391-S394 PolarHBondContact O-OG 3.14Å; S394-G396 VanDerWaalsContact C-N 3.31Å; S394-T406 VanDerWaalsContact CB-OG1 3.28Å; S394-T406 WeakPolarHBondContact CB-OG1 3.25Å; S394-L409 WeakPolarHBondContact OG-CD1 3.27Å
395E95.9Very high95.5Very high160 Ų16055.9 Ų55.975%0.74832%0.321SS*.SBendtrans-84.9-5.6175.5-66.9171.5-176.700112.7C391C391-E395 PolarHBondContact O-N 3.1Å
396G92.6Very high95.7Very high28 Ų2856.5 Ų56.529%0.28932%0.321SS..SBendtrans-71.1-178.9177.900000114.3Q392 L393 S394Q392-G396 PolarHBondContact O-N 3.39Å; L393-G396 PolarHBondContact O-N 2.88Å; S394-G396 VanDerWaalsContact C-N 3.31Å
397P92.3Very high95.8Very high116 Ų11664 Ų6475%0.75335%0.353SS*.SBendtrans-58.8141-17924.7-34.3000111.9G399P397-G399 PolarHBondContact O-N 3.4Å
398P93.6Very high95.9Very high132 Ų13260.2 Ų60.286%0.85734%0.336SS*.SBendtrans-62.8120.7-172.824.8-34.4000111.2
399G94.5Very high96Very high19 Ų1955.7 Ų55.720%0.19631%0.312CS..SBendtrans178.8-177.6-175.600000113.2P397 V401 A402 N403P397-G399 PolarHBondContact O-N 3.4Å; G399-V401 VanDerWaalsContact C-N 3.33Å; G399-V401 PolarHBondContact O-N 3.37Å; G399-A402 PolarHBondContact O-N 3.29Å; G399-N403 WeakPolarHBondContact O-CB 3.34Å; G399-N403 VanDerWaalsContact O-CG 3.24Å; G399-N403 PolarHBondContact O-N 2.84Å; G399-N403 PolarHBondContact O-ND2 3.3Å
400P95.4Very high96.1Very high68 Ų6859.6 Ų59.644%0.44233%0.327SS..Hα-helixtrans-59.6-36.7-172.6-27.537.1000114.6Y358 M362 K404Y358-P400 HydrophobicContact CE2-CB 4.27Å; Y358-P400 HydrophobicContact CE2-CG 4.47Å; Y358-P400 WeakPolarHBondContact OH-CB 3.47Å; Y358-P400 WeakPolarHBondContact OH-CG 3.18Å; M362-P400 HydrophobicContact CE-CB 4.06Å; M362-P400 HydrophobicContact SD-CB 4.23Å; P400-K404 VanDerWaalsContact O-CB 3.25Å; P400-K404 WeakPolarHBondContact O-CB 3.46Å; P400-K404 PolarHBondContact O-N 2.89Å
401V96.1Very high96Very high21 Ų2163.6 Ų63.613%0.12735%0.346CS..Hα-helixtrans-64.9-54176.7169.30000110.7Y358 K361 M362 L365 L393 G399 N403 K404 A405Y358-V401 HydrophobicContact CD2-CG2 3.64Å; Y358-V401 HydrophobicContact CE2-CG2 3.72Å; K361-V401 HydrophobicContact CB-CG2 4.24Å; M362-V401 HydrophobicContact CG-CG2 3.73Å; M362-V401 HydrophobicContact SD-CB 4.32Å; M362-V401 HydrophobicContact SD-CG2 3.61Å; L365-V401 HydrophobicContact CD1-CG1 4.02Å; L393-V401 HydrophobicContact CB-CG1 4.24Å; L393-V401 HydrophobicContact CD1-CG1 4.07Å; L393-V401 HydrophobicContact CD2-CG1 3.86Å; L393-V401 HydrophobicContact CG-CG1 4.28Å; G399-V401 VanDerWaalsContact C-N 3.33Å; G399-V401 PolarHBondContact O-N 3.37Å; V401-N403 PolarHBondContact O-N 3.07Å; V401-K404 PolarHBondContact O-N 3.3Å; V401-K404 VanDerWaalsContact O-N 3.17Å; V401-A405 WeakPolarHBondContact O-CB 3.19Å; V401-A405 PolarHBondContact O-N 2.83Å
402A96.8Very high96Very high6 Ų661.8 Ų61.85%0.0533%0.333CS..Hα-helixtrans-59-49.2178.100000111.3L393 G399 K404 A405 T406L393-A402 VanDerWaalsContact O-CA 3.22Å; L393-A402 WeakPolarHBondContact O-CA 3.2Å; L393-A402 VanDerWaalsContact O-CB 3.24Å; L393-A402 WeakPolarHBondContact O-CB 3.47Å; G399-A402 PolarHBondContact O-N 3.29Å; A402-K404 VanDerWaalsContact C-N 3.25Å; A402-K404 PolarHBondContact O-N 3.3Å; A402-A405 PolarHBondContact O-N 3.11Å; A402-T406 WeakPolarHBondContact O-CB 3.45Å; A402-T406 PolarHBondContact O-N 3.21Å; A402-T406 PolarHBondContact O-OG1 3.3Å
403N97.3Very high95.9Very high99 Ų9960.4 Ų60.453%0.52933%0.327SS..Hα-helixtrans-58.1-34.5177.2-71.9-23.6000113.1G399 V401 K407G399-N403 WeakPolarHBondContact O-CB 3.34Å; G399-N403 VanDerWaalsContact O-CG 3.24Å; G399-N403 PolarHBondContact O-N 2.84Å; G399-N403 PolarHBondContact O-ND2 3.3Å; V401-N403 PolarHBondContact O-N 3.07Å; N403-K407 VanDerWaalsContact O-CG 3.29Å; N403-K407 WeakPolarHBondContact O-CG 3.45Å; N403-K407 PolarHBondContact O-N 3.24Å
404K97.1Very high95.8Very high39 Ų3962.3 Ų62.317%0.1735%0.347CS..Hα-helixtrans-78.9-39.5177.3-166.4177.5-163.8-54.50112M362 L365 C366 P400 V401 A402 K407 I408M362-K404 HydrophobicContact CE-CD 4.05Å; M362-K404 HydrophobicContact SD-CD 4.32Å; L365-K404 VanDerWaalsContact C-NZ 3.34Å; L365-K404 HydrophobicContact CB-CD 3.86Å; L365-K404 HydrophobicContact CB-CG 4.32Å; L365-K404 HydrophobicContact CD1-CB 4.19Å; L365-K404 HydrophobicContact CD1-CD 4.48Å; L365-K404 HydrophobicContact CD1-CG 4.49Å; L365-K404 PolarHBondContact O-NZ 2.88Å; C366-K404 VanDerWaalsContact SG-CE 3.53Å; P400-K404 VanDerWaalsContact O-CB 3.25Å; P400-K404 WeakPolarHBondContact O-CB 3.46Å; P400-K404 PolarHBondContact O-N 2.89Å; V401-K404 PolarHBondContact O-N 3.3Å; V401-K404 VanDerWaalsContact O-N 3.17Å; A402-K404 VanDerWaalsContact C-N 3.25Å; A402-K404 PolarHBondContact O-N 3.3Å; K404-K407 PolarHBondContact O-N 3.01Å; K404-I408 HydrophobicContact CG-CD1 4.15Å; K404-I408 WeakPolarHBondContact O-CD1 3.35Å; K404-I408 VanDerWaalsContact O-CG1 3.31Å; K404-I408 WeakPolarHBondContact O-CG1 3.49Å; K404-I408 PolarHBondContact O-N 2.92Å
405A97.7Very high95.7Very high0 Ų065.1 Ų65.10%036%0.359CS..Hα-helixtrans-61.2-48173.700000111.3L365 L390 L393 V401 A402 K407 I408 L409L365-A405 HydrophobicContact CD2-CB 4.33Å; L390-A405 HydrophobicContact CD2-CB 4.25Å; L393-A405 HydrophobicContact CB-CB 3.74Å; V401-A405 WeakPolarHBondContact O-CB 3.19Å; V401-A405 PolarHBondContact O-N 2.83Å; A402-A405 PolarHBondContact O-N 3.11Å; A405-K407 VanDerWaalsContact C-N 3.34Å; A405-K407 PolarHBondContact O-N 3.48Å; A405-I408 PolarHBondContact O-N 3.15Å; A405-I408 VanDerWaalsContact O-N 3.13Å; A405-L409 PolarHBondContact O-N 3.47Å
406T97.5Very high95.3Very high53 Ų5361.1 Ų61.133%0.32534%0.341SS..Hα-helixtrans-56.5-44.5174.6-54.50000112S394 A402 I408 L409 R410S394-T406 VanDerWaalsContact CB-OG1 3.28Å; S394-T406 WeakPolarHBondContact CB-OG1 3.25Å; A402-T406 WeakPolarHBondContact O-CB 3.45Å; A402-T406 PolarHBondContact O-N 3.21Å; A402-T406 PolarHBondContact O-OG1 3.3Å; T406-I408 PolarHBondContact O-N 3.14Å; T406-L409 PolarHBondContact O-N 3.28Å; T406-R410 WeakPolarHBondContact O-CG 3.49Å; T406-R410 PolarHBondContact O-N 2.71Å
407K97.8Very high94.5Very high158 Ų15862.6 Ų62.669%0.68736%0.356SS*.Hα-helixtrans-62.8-39.6176.8-78.5177.1179.4-173.40112.8N403 K404 A405 Q411N403-K407 VanDerWaalsContact O-CG 3.29Å; N403-K407 WeakPolarHBondContact O-CG 3.45Å; N403-K407 PolarHBondContact O-N 3.24Å; K404-K407 PolarHBondContact O-N 3.01Å; A405-K407 VanDerWaalsContact C-N 3.34Å; A405-K407 PolarHBondContact O-N 3.48Å; K407-Q411 WeakPolarHBondContact O-CB 3.4Å; K407-Q411 PolarHBondContact O-N 3.07Å
408I97.4Very high93.2Very high6 Ų658.3 Ų58.33%0.03133%0.333CS..Hα-helixtrans-66.9-44.6177.1-69.1162.3000110.5L365 V368 A369 M372 L390 K404 A405 T406 R410 Q411 F412L365-I408 HydrophobicContact CB-CD1 4.13Å; L365-I408 HydrophobicContact CD2-CD1 3.94Å; L365-I408 VanDerWaalsContact O-CD1 3.26Å; L365-I408 WeakPolarHBondContact O-CD1 3.37Å; V368-I408 HydrophobicContact CG1-CG2 4.3Å; A369-I408 HydrophobicContact CB-CD1 4.18Å; A369-I408 HydrophobicContact CB-CG1 4.21Å; M372-I408 HydrophobicContact SD-CG2 4.19Å; L390-I408 HydrophobicContact CD1-CG2 3.78Å; L390-I408 HydrophobicContact CD2-CB 4.38Å; L390-I408 HydrophobicContact CD2-CG2 4.09Å; K404-I408 HydrophobicContact CG-CD1 4.15Å; K404-I408 WeakPolarHBondContact O-CD1 3.35Å; K404-I408 VanDerWaalsContact O-CG1 3.31Å; K404-I408 WeakPolarHBondContact O-CG1 3.49Å; K404-I408 PolarHBondContact O-N 2.92Å; A405-I408 PolarHBondContact O-N 3.15Å; A405-I408 VanDerWaalsContact O-N 3.13Å; T406-I408 PolarHBondContact O-N 3.14Å; I408-R410 PolarHBondContact O-N 2.88Å; I408-Q411 PolarHBondContact O-N 2.98Å; I408-Q411 VanDerWaalsContact O-N 3.14Å; I408-F412 HydrophobicContact CG2-CD2 3.65Å; I408-F412 HydrophobicContact CG2-CE2 3.45Å; I408-F412 VanDerWaalsContact CG2-CE2 3.45Å; I408-F412 VanDerWaalsContact O-CD2 3.32Å; I408-F412 WeakPolarHBondContact O-CD2 3.38Å; I408-F412 PolarHBondContact O-N 3.46Å
409L96.9Very high91.1Very high11 Ų1158.4 Ų58.46%0.05833%0.333CS..Hα-helixtrans-56.5-49.4174.3-72.1172.6000112.1F383 L390 S394 A405 T406 Q411 F412 E413F383-L409 HydrophobicContact CE2-CD2 4.05Å; L390-L409 HydrophobicContact CB-CD1 4.29Å; L390-L409 HydrophobicContact CB-CD2 3.61Å; L390-L409 HydrophobicContact CB-CG 3.87Å; L390-L409 HydrophobicContact CD1-CD2 4.18Å; S394-L409 WeakPolarHBondContact OG-CD1 3.27Å; A405-L409 PolarHBondContact O-N 3.47Å; T406-L409 PolarHBondContact O-N 3.28Å; L409-Q411 PolarHBondContact O-N 3.34Å; L409-F412 PolarHBondContact O-N 3.37Å; L409-E413 WeakPolarHBondContact O-CG 3.49Å; L409-E413 PolarHBondContact O-N 3.07Å
410R96.7Very high88.5Confident147 Ų14765.7 Ų65.756%0.55536%0.362SS*.Hα-helixtrans-63.8-29.5178.2-61.9-64136.6-169.1-4.3112.6T406 I408 E413 A414T406-R410 WeakPolarHBondContact O-CG 3.49Å; T406-R410 PolarHBondContact O-N 2.71Å; I408-R410 PolarHBondContact O-N 2.88Å; R410-E413 VanDerWaalsContact CD-OE2 3.31Å; R410-E413 WeakPolarHBondContact CD-OE2 3.42Å; R410-E413 IonicContact CZ-OE1 3.35Å; R410-E413 IonicContact CZ-OE2 2.77Å; R410-E413 VanDerWaalsContact CZ-OE2 3.25Å; R410-E413 IonicContact NE-OE1 2.71Å; R410-E413 IonicContact NE-OE2 2.79Å; R410-E413 IonicContact NH1-OE1 3.67Å; R410-E413 PolarHBondContact NH1-OE1 3.49Å; R410-E413 IonicContact NH1-OE2 3.76Å; R410-E413 PolarHBondContact NH1-OE2 3.23Å; R410-E413 IonicContact NH2-OE1 3.95Å; R410-E413 PolarHBondContact NH2-OE1 2.99Å; R410-A414 WeakPolarHBondContact O-CB 3.42Å; R410-A414 PolarHBondContact O-N 2.81Å
411Q96.4Very high85.7Confident84 Ų8469.5 Ų69.539%0.39337%0.374SS..Hα-helixtrans-75-39.9175.4-169.560.759.100112.2M372 K407 I408 L409 A414 L415M372-Q411 HydrophobicContact CE-CB 3.86Å; M372-Q411 HydrophobicContact CE-CG 3.44Å; M372-Q411 VanDerWaalsContact CE-CG 3.44Å; M372-Q411 HydrophobicContact SD-CB 3.86Å; M372-Q411 HydrophobicContact SD-CG 3.78Å; K407-Q411 WeakPolarHBondContact O-CB 3.4Å; K407-Q411 PolarHBondContact O-N 3.07Å; I408-Q411 PolarHBondContact O-N 2.98Å; I408-Q411 VanDerWaalsContact O-N 3.14Å; L409-Q411 PolarHBondContact O-N 3.34Å; Q411-A414 PolarHBondContact O-N 3.24Å; Q411-L415 HydrophobicContact CG-CD1 4.08Å; Q411-L415 WeakPolarHBondContact O-CB 3.42Å; Q411-L415 VanDerWaalsContact O-CG 3.26Å; Q411-L415 WeakPolarHBondContact O-CG 3.38Å; Q411-L415 PolarHBondContact O-N 2.93Å
412F95.4Very high82.6Confident0 Ų073.2 Ų73.20%041%0.407CS..Hα-helixtrans-60.4-48.1169.9-82.6-67.6000111.4V368 M372 L379 T382 F383 L390 I408 L409 A414 L415 M416V368-F412 HydrophobicContact CG1-CE2 4.36Å; M372-F412 HydrophobicContact CB-CE1 4.08Å; M372-F412 HydrophobicContact CB-CZ 3.91Å; M372-F412 HydrophobicContact CG-CD1 3.98Å; M372-F412 HydrophobicContact CG-CE1 3.69Å; M372-F412 HydrophobicContact CG-CE2 4.3Å; M372-F412 HydrophobicContact CG-CG 4.4Å; M372-F412 HydrophobicContact CG-CZ 3.86Å; M372-F412 HydrophobicContact SD-CD1 4.19Å; M372-F412 HydrophobicContact SD-CD2 3.87Å; M372-F412 HydrophobicContact SD-CE1 4.25Å; M372-F412 HydrophobicContact SD-CE2 3.93Å; M372-F412 HydrophobicContact SD-CG 4Å; M372-F412 HydrophobicContact SD-CZ 4.12Å; L379-F412 HydrophobicContact CD1-CD1 3.66Å; L379-F412 HydrophobicContact CD1-CE1 3.67Å; L379-F412 HydrophobicContact CG-CD1 4.12Å; L379-F412 HydrophobicContact CG-CE1 4.33Å; T382-F412 HydrophobicContact CG2-CE1 4.33Å; T382-F412 HydrophobicContact CG2-CZ 4Å; F383-F412 HydrophobicContact CB-CD1 3.71Å; F383-F412 HydrophobicContact CB-CE1 3.8Å; F383-F412 HydrophobicContact CB-CG 4.22Å; F383-F412 HydrophobicContact CB-CZ 4.37Å; F383-F412 HydrophobicContact CD2-CB 3.55Å; F383-F412 AromaticContact CD2-CD1 3.88Å; F383-F412 HydrophobicContact CD2-CD1 3.88Å; F383-F412 AromaticContact CD2-CD2 3.7Å; F383-F412 HydrophobicContact CD2-CD2 3.7Å; F383-F412 HydrophobicContact CD2-CE1 4.45Å; F383-F412 HydrophobicContact CD2-CE2 4.29Å; F383-F412 AromaticContact CD2-CG 3.47Å; F383-F412 HydrophobicContact CD2-CG 3.47Å; F383-F412 VanDerWaalsContact CD2-CG 3.47Å; F383-F412 HydrophobicContact CE2-CB 3.88Å; F383-F412 HydrophobicContact CE2-CD2 4.38Å; F383-F412 HydrophobicContact CE2-CG 4.23Å; F383-F412 HydrophobicContact CG-CB 4.38Å; F383-F412 HydrophobicContact CG-CD1 4.2Å; F383-F412 HydrophobicContact CG-CG 4.24Å; L390-F412 HydrophobicContact CD1-CD2 4.26Å; L390-F412 HydrophobicContact CD1-CE2 3.9Å; I408-F412 HydrophobicContact CG2-CD2 3.65Å; I408-F412 HydrophobicContact CG2-CE2 3.45Å; I408-F412 VanDerWaalsContact CG2-CE2 3.45Å; I408-F412 VanDerWaalsContact O-CD2 3.32Å; I408-F412 WeakPolarHBondContact O-CD2 3.38Å; I408-F412 PolarHBondContact O-N 3.46Å; L409-F412 PolarHBondContact O-N 3.37Å; F412-A414 VanDerWaalsContact C-N 3.33Å; F412-A414 PolarHBondContact O-N 2.54Å; F412-L415 PolarHBondContact O-N 3.11Å; F412-M416 HydrophobicContact CB-CE 4.16Å; F412-M416 WeakPolarHBondContact O-CB 3.49Å; F412-M416 WeakPolarHBondContact O-CG 3.44Å; F412-M416 PolarHBondContact O-N 3.04Å
413E94.2Very high79.9Confident64 Ų6479.2 Ų79.230%0.29944%0.443SS..Hα-helixtrans-55.3-46.6174.5-72.3172.4-172.100112L409 R410 L415 G417 G418L409-E413 WeakPolarHBondContact O-CG 3.49Å; L409-E413 PolarHBondContact O-N 3.07Å; R410-E413 VanDerWaalsContact CD-OE2 3.31Å; R410-E413 WeakPolarHBondContact CD-OE2 3.42Å; R410-E413 IonicContact CZ-OE1 3.35Å; R410-E413 IonicContact CZ-OE2 2.77Å; R410-E413 VanDerWaalsContact CZ-OE2 3.25Å; R410-E413 IonicContact NE-OE1 2.71Å; R410-E413 IonicContact NE-OE2 2.79Å; R410-E413 IonicContact NH1-OE1 3.67Å; R410-E413 PolarHBondContact NH1-OE1 3.49Å; R410-E413 IonicContact NH1-OE2 3.76Å; R410-E413 PolarHBondContact NH1-OE2 3.23Å; R410-E413 IonicContact NH2-OE1 3.95Å; R410-E413 PolarHBondContact NH2-OE1 2.99Å; E413-L415 PolarHBondContact O-N 2.98Å; E413-G417 PolarHBondContact O-N 3.39Å; E413-G418 WeakPolarHBondContact O-CA 3.46Å; E413-G418 PolarHBondContact O-N 2.95Å
414A94.6Very high77.1Confident67 Ų6784.7 Ų84.755%0.55446%0.456SS*.Hα-helixtrans-64-38.518000000112.8R410 Q411 F412R410-A414 WeakPolarHBondContact O-CB 3.42Å; R410-A414 PolarHBondContact O-N 2.81Å; Q411-A414 PolarHBondContact O-N 3.24Å; F412-A414 VanDerWaalsContact C-N 3.33Å; F412-A414 PolarHBondContact O-N 2.54Å
415L92.9Very high74Confident90 Ų9091.7 Ų91.747%0.47149%0.49SS..Hα-helixtrans-77.5-33.8-179.4-69.3168.5000113M372 L379 Q411 F412 E413 G417M372-L415 HydrophobicContact CG-CD1 4.19Å; L379-L415 HydrophobicContact CD1-CD1 4.14Å; L379-L415 HydrophobicContact CD2-CB 3.47Å; L379-L415 VanDerWaalsContact CD2-CB 3.47Å; L379-L415 HydrophobicContact CD2-CD1 4.45Å; Q411-L415 HydrophobicContact CG-CD1 4.08Å; Q411-L415 WeakPolarHBondContact O-CB 3.42Å; Q411-L415 VanDerWaalsContact O-CG 3.26Å; Q411-L415 WeakPolarHBondContact O-CG 3.38Å; Q411-L415 PolarHBondContact O-N 2.93Å; F412-L415 PolarHBondContact O-N 3.11Å; E413-L415 PolarHBondContact O-N 2.98Å; L415-G417 PolarHBondContact O-N 2.99Å
416M87.6Confident70.7Confident76 Ų7699.7 Ų99.737%0.37453%0.533SS..THydrogen-bonded Turntrans-83.312.6177-62.5-176.5-52.200113.7L379 F383 F412L379-M416 HydrophobicContact CD2-CG 3.6Å; L379-M416 HydrophobicContact CG-CG 4.2Å; F383-M416 HydrophobicContact CB-CE 4.4Å; F383-M416 HydrophobicContact CB-SD 4.04Å; F383-M416 HydrophobicContact CD1-CE 3.6Å; F383-M416 HydrophobicContact CD1-SD 3.96Å; F383-M416 HydrophobicContact CD2-CE 4.06Å; F383-M416 HydrophobicContact CE1-CE 3.72Å; F383-M416 HydrophobicContact CE2-CE 4.16Å; F383-M416 HydrophobicContact CG-CE 3.75Å; F383-M416 HydrophobicContact CG-SD 4.02Å; F383-M416 HydrophobicContact CZ-CE 3.99Å; F412-M416 HydrophobicContact CB-CE 4.16Å; F412-M416 WeakPolarHBondContact O-CB 3.49Å; F412-M416 WeakPolarHBondContact O-CG 3.44Å; F412-M416 PolarHBondContact O-N 3.04Å
417G77.2Confident67.7Low59 Ų59102.4 Ų102.461%0.60856%0.56SS**THydrogen-bonded Turntrans75.542.5177.100000114.3E413 L415E413-G417 PolarHBondContact O-N 3.39Å; L415-G417 PolarHBondContact O-N 2.99Å
418G64.1Low64.6Low26 Ų2698.9 Ų98.927%0.26856%0.561SS.*  trans-49.5153.2178.400000114.2E413 Q420E413-G418 WeakPolarHBondContact O-CA 3.46Å; E413-G418 PolarHBondContact O-N 2.95Å; G418-Q420 PolarHBondContact O-N 3.1Å
419P48.9Very low61.4Low133 Ų133108.4 Ų108.486%0.86461%0.605SS**  trans-60.699.4-155.222.7-35.1000113.8
420Q40.2Very low58Low172 Ų172111.5 Ų111.580%0.80464%0.64SS**  trans-76135.6176.6-63-161.55.100111.5G418G418-Q420 PolarHBondContact O-N 3.1Å
421H36.3Very low54.9Low148 Ų148109.8 Ų109.869%0.68565%0.65SS**  trans64.459.1168.5-78.1-72.4000118.8
422A32.2Very low51.8Low100 Ų100114.4 Ų114.483%0.82667%0.672SS**SBendtrans-88.25.2152.900000114.3
423T39.2Very low48.6Very low132 Ų132126 Ų12681%0.8172%0.715SS**SBendtrans-139.357.7-172.7-37.10000114
424R37.9Very low45.4Very low213 Ų213127.7 Ų127.780%0.80474%0.74SS**SBendtrans-153.438.5165.4-136.7179.9-171.9-172.22.2118.9
425Q32.1Very low42.3Very low186 Ų186131.1 Ų131.187%0.86976%0.755SS**SBendtrans-156.1109.1157.8-113.7165.531.500111.9
426N29.3Very low39.2Very low168 Ų168132.3 Ų132.390%0.89877%0.77SS**  trans148.163.9157.9-78-15.8000110.9
427A34Very low36.3Very low110 Ų110135.5 Ų135.591%0.90979%0.789SS**  trans-129.652.6170.800000109.8
428A32.3Very low33.9Very low84 Ų84141.6 Ų141.669%0.69480%0.802SS**  trans-154.8140.8173.500000108.9
429Q31.4Very low32Very low206 Ų206146 Ų14696%0.96383%0.827SS**  trans65.8130.9-164.1-45.6-176.527.400113.1
430G25.8Very low30.9Very low76 Ų76147.9 Ų147.978%0.78482%0.824SS**  cis-160.9147.2-7.300000111
431S31.7Very low31.2Very low112 Ų112144.9 Ų144.978%0.78382%0.819SS**  trans-93.2104.2-168.2-179.20000114.1
432H31.6Very low30.6Very low181 Ų181143.1 Ų143.184%0.83882%0.823SS**  trans-149.2109.3156.2-62.6-72000106.8
433R27.2Very low30.3Very low242 Ų242142.8 Ų142.891%0.91382%0.821SS**  52.484.260.5-164.2-171.5-179.9-178.61.1114.2
434A26.7Very low29.7Very low100 Ų100144.4 Ų144.483%0.82682%0.819SS**  trans-165.1124.9133.800000111.3
435T29.8Very low29.2Very low139 Ų139140.3 Ų140.385%0.85381%0.812SS**  trans-94.4140.4159.744.70000109.3
436S27.2Very low28.9Very low115 Ų115139.2 Ų139.280%0.80481%0.807SS**  trans-146.4143.5156.5-173.90000110.2
437N27.6Very low28.7Very low143 Ų143135.7 Ų135.777%0.76580%0.796SS**  trans-92.8-173.2-177.1-58.8-18.2000111.5
438Q27.2Very low28.3Very low188 Ų188135.1 Ų135.188%0.87979%0.785SS**  trans91.8140.3171.3-60-178.877.300115.5
439C23.1Very low28Very low117 Ų117140.2 Ų140.279%0.79179%0.794SS**  cis-158.9169.8-20.1-1560000110.4
440H27Very low27.8Very low173 Ų173134.1 Ų134.180%0.80178%0.78SS**  trans-79.9-176.1160.4-50.9-92.9000109.7
441P44.7Very low28Very low110 Ų110136 Ų13671%0.71478%0.776SS**  cis-142.1-175.11.744.8-25.8000116.8
442S25.2Very low28Very low110 Ų110137.7 Ų137.777%0.76978%0.776SS**  trans47116.8140.7-62.40000124.4
443A25.2Very low27.9Very low93 Ų93134.2 Ų134.277%0.76977%0.773SS**  80.8157.6115.100000123.6
444H26.6Very low28.3Very low167 Ų167126.9 Ų126.977%0.77376%0.763SS**  trans74.3101.1155.9-108.3-113.7000121.4
445L27.9Very low28.3Very low127 Ų127129.8 Ų129.867%0.66577%0.765SS**  62.7135.7115.2-109.5167000122.5
446E24.9Very low28.5Very low162 Ų162127.4 Ų127.476%0.75775%0.751SS**  113.3119.6127.4-151.2131.3-147.500120.5
447S24.9Very low28.5Very low94 Ų94130.8 Ų130.866%0.65775%0.751SS**  trans64.6124.3149.6-1280000124
448S26.3Very low28.5Very low99 Ų99129.2 Ų129.269%0.69275%0.752SS**  29.6140.9111-23.80000119.1
449E25.5Very low28.3Very low190 Ų190123.5 Ų123.589%0.88874%0.743SS**  -154.9-176.565.3-95.9-163.6101.800115.7
450A28.4Very low29.3Very low79 Ų79124.2 Ų124.265%0.65375%0.746SS**  trans-69.8174.6-170.800000114.6
451T28.8Very low29.3Very low116 Ų116123.4 Ų123.471%0.71275%0.748SS**  -174.1140.983.926.10000113.7
452N31.3Very low28.5Very low146 Ų146126.8 Ų126.878%0.78175%0.754SS**  trans62.8160.8142.7-55-12.6000119.6
453S31.1Very low28.6Very low109 Ų109125.4 Ų125.476%0.76274%0.744SS**  cis-173.3169.3-30.6-88.20000107.8
454A34.6Very low28.6Very low87 Ų87129.3 Ų129.372%0.71975%0.747SS**  cis174.6131.7-39.100000106.2
455D26.4Very low28.6Very low161 Ų161127.5 Ų127.586%0.86174%0.742SS**  trans-153.2174.4171.6-131.9-32.6000115.1
456T34Very low28.6Very low90 Ų90126.5 Ų126.555%0.55275%0.746SS**  -137165-126.2-36.40000116.9
457F27.9Very low28.7Very low185 Ų185123.6 Ų123.681%0.81174%0.743SS**  trans77.7150.1165.7-57.8-69.3000117.7
458S27.3Very low28.8Very low111 Ų111124 Ų12478%0.77675%0.746SS**  cis-158167.8-3.3-1200000112.5
459G23.1Very low29Very low68 Ų68126.2 Ų126.270%0.70175%0.749SS**  trans-81.1-169.2172.900000115
460P44.1Very low29.2Very low132 Ų132124.9 Ų124.986%0.85775%0.746SS**  -144.7-174.665.741.3-23.4000117.1
461N28.1Very low29.3Very low155 Ų155129.4 Ų129.483%0.82975%0.754SS**  trans-92.6169179.7-58.1-34.3000113.9
462E26.5Very low30.1Very low181 Ų181128.7 Ų128.785%0.84675%0.751SS**  trans-178.7162.4138.6-86.6-107.595.300109.4
463S27.8Very low30.1Very low81 Ų81129.5 Ų129.557%0.56675%0.75SS**  cis-171.2135-41.7-910000111.2
464E24.9Very low30Very low176 Ų176130.1 Ų130.182%0.82275%0.745SS**  trans59.7164.1154-63.8-158.3128.500119.6
465L27.8Very low30Very low128 Ų128133.1 Ų133.167%0.6775%0.748SS**  cis-161.6153.8-16.8-113.1171.8000110.2
466S27.1Very low30.7Very low107 Ų107130.4 Ų130.475%0.74874%0.739SS**  trans63.6147.4150.2-73.50000121.5
467S26.9Very low30.3Very low100 Ų100131.1 Ų131.170%0.69975%0.748SS**  cis-167.6170.4-3.860.50000112.7
468S28Very low30.3Very low104 Ų104127.7 Ų127.773%0.72775%0.747SS**  trans77.7139153.9-54.60000118.8
469I29.3Very low30.2Very low145 Ų145127.2 Ų127.274%0.74474%0.744SS**  cis-160.4146.2-14-129.2164.2000112.7
470I30.9Very low30.3Very low162 Ų162129.2 Ų129.283%0.83175%0.747SS**  trans73.9152.8161.2-69171.9000120.3
471Q28.8Very low29.3Very low173 Ų173127.9 Ų127.981%0.80874%0.74SS**  trans-130.6-173.4-161.1-126.6-174.5-12.700108.9
472P46.7Very low29.2Very low101 Ų101127.2 Ų127.266%0.65674%0.736SS**  cis-123.2-151.4-15.539.2-18.9000109.7
473Q31.5Very low29.2Very low164 Ų164125.1 Ų125.177%0.76673%0.731SS**  cis-159-175.8-5.4-137.9175.210.900105.5
474N28.3Very low29Very low122 Ų122130.5 Ų130.565%0.65275%0.747SS**  cis-152-1653.4-152.8-7000111.2
475L34.5Very low29Very low150 Ų150127.2 Ų127.279%0.78574%0.739SS**  trans-126.5176.3-170.9-97.472.3000111.9
476P40.3Very low28.8Very low104 Ų104131 Ų13168%0.67575%0.745SS**  cis-138.3171.5-18.732.3-12.3000116.2
477S27.3Very low28.8Very low104 Ų104135.6 Ų135.673%0.72775%0.746SS**  trans51.6131.6145.4-60.70000122.2
478S27.7Very low28.6Very low114 Ų114136.5 Ų136.580%0.79775%0.751SS**  cis77.6136.946.4-620000113.7
479S25.6Very low28.4Very low101 Ų101136.7 Ų136.771%0.70675%0.752SS**  cis-169.2177.20.948.40000112.1
480S24.8Very low28.1Very low110 Ų110135.7 Ų135.777%0.76975%0.753SS**  trans67.2156.4145.4470000120.2
481S22.8Very low27.9Very low103 Ų103134.7 Ų134.772%0.7275%0.749SS**  cis-175.6163.4-24.2-167.60000110.1
482L26.2Very low27.7Very low142 Ų142134.2 Ų134.274%0.74375%0.746SS**  trans77.9146.7157.2-79.4164.6000122.6
483D25Very low26.8Very low137 Ų137138 Ų13873%0.73376%0.755SS**  trans53.2131154.2-65.6-39.5000122.8
484E24.2Very low26.5Very low193 Ų193137.7 Ų137.790%0.90276%0.756SS**  trans-146138.7155.5-152.6173.2-175.100110.1
485T25.2Very low26.4Very low108 Ų108138.4 Ų138.466%0.66376%0.759SS**  trans-155.3139.6177.6-350000111.3
486W24.5Very low25.9Very low207 Ų207137.6 Ų137.678%0.78476%0.756SS**  trans78.9122.7167.3-62.8109.2000120.9
487R26.5Very low25.3Very low203 Ų203139.2 Ų139.277%0.76676%0.758SS**  trans73108.8139.6-64.6175.7-163.8-133.53.6121.5
488C21.5Very low25.5Very low120 Ų120141 Ų14181%0.81177%0.765SS**  42124.8114.6-61.80000122.2
489S24.9Very low25.5Very low107 Ų107140.2 Ų140.275%0.74876%0.759SS**  trans93.9100134.1-59.80000121
490T23.8Very low25.7Very low125 Ų125143.7 Ų143.777%0.76777%0.77SS**  64.1104.7119.8-41.30000119.9
491L25.4Very low25.9Very low141 Ų141144.9 Ų144.974%0.73876%0.761SS**  -175156.7115.2-99.2169.9000114.1
492E24.5Very low26.2Very low162 Ų162146.7 Ų146.776%0.75777%0.768SS**  trans40.794.8151.5-76.6158.6-175.700122.9
493Q27.6Very low26.3Very low182 Ų182146.6 Ų146.685%0.8576%0.763SS**  8.7126.7109.9176.5177.643.800119.2
494M26.5Very low26.3Very low157 Ų157146 Ų14677%0.77377%0.77SS**  trans-163.8137.7142.8-150.857.4154.200113
495D25.3Very low26.5Very low136 Ų136142.3 Ų142.373%0.72776%0.76SS**  trans46.7148.3150.3-69.4-2.9000123.3
496D24.6Very low26.8Very low133 Ų133147.9 Ų147.971%0.71177%0.769SS**  cis-163.3174.8-13.1-178.525.6000109.2
497L27.8Very low27.1Very low138 Ų138145.4 Ų145.472%0.72378%0.777SS**  trans68.8108.5169.3-63.1161.7000116.1
498T30.2Very low27.3Very low143 Ų143140.9 Ų140.988%0.87778%0.783SS**  -154.2148.168.218.10000114.9
499S27.7Very low27.6Very low96 Ų96139 Ų13967%0.67178%0.784SS**  trans-59.8143.8-175.9179.20000115.8
500N30.3Very low27.6Very low174 Ų174141.4 Ų141.493%0.9379%0.788SS**  -149.9145.6125.4-104.7-48.7000112.7
501K28.5Very low29.1Very low135 Ų135140 Ų14059%0.58778%0.781SS**  trans-118.4129.7-165.3174-150.5173.6-1640112.2E503K501-E503 VanDerWaalsContact CE-CD 3.49Å; K501-E503 VanDerWaalsContact CE-OE1 3.32Å; K501-E503 WeakPolarHBondContact CE-OE1 3.48Å; K501-E503 WeakPolarHBondContact CE-OE2 3.04Å; K501-E503 IonicContact NZ-OE1 2.81Å; K501-E503 PolarHBondContact NZ-OE1 2.76Å; K501-E503 IonicContact NZ-OE2 2.87Å; K501-E503 PolarHBondContact NZ-OE2 3.12Å
502V29.8Very low29.2Very low142 Ų142141.3 Ų141.386%0.86178%0.784SS**  trans-145.288.7141.5-177.80000111.4
503E28Very low29.6Very low139 Ų139140.1 Ų140.165%0.6578%0.782SS**  38.7117122.6-146.5132.2-124.100120.9K501K501-E503 VanDerWaalsContact CE-CD 3.49Å; K501-E503 VanDerWaalsContact CE-OE1 3.32Å; K501-E503 WeakPolarHBondContact CE-OE1 3.48Å; K501-E503 WeakPolarHBondContact CE-OE2 3.04Å; K501-E503 IonicContact NZ-OE1 2.81Å; K501-E503 PolarHBondContact NZ-OE1 2.76Å; K501-E503 IonicContact NZ-OE2 2.87Å; K501-E503 PolarHBondContact NZ-OE2 3.12Å
504S26Very low29.8Very low124 Ų124139.4 Ų139.487%0.86778%0.782SS**  trans-139.9164.9149.9-169.90000109.9
505V29Very low30.1Very low116 Ų116138.5 Ų138.570%0.70378%0.78SS**  trans-108.7124.6-147.9177.40000115.6
506R30.5Very low30.4Very low225 Ų225140.2 Ų140.285%0.84978%0.781SS**  trans13.2134.3146.1-51.5175.6-176.2178.10.1119.2
507T30.4Very low30.6Very low156 Ų156141.3 Ų141.396%0.95778%0.782SS**  -158.2166.81076.90000110.2
508A30.9Very low30.7Very low107 Ų107139.9 Ų139.988%0.88478%0.784SS**  trans-130.5159.7-16500000113.6
509G27.6Very low31.2Very low80 Ų80139.3 Ų139.383%0.82578%0.782SS**  trans-173.6118.3172.700000111.2
510D26.1Very low31Very low158 Ų158139.7 Ų139.785%0.84579%0.785SS**  trans-165.9163.4-169.1-162.636.1000106.7
511P54.9Low30.9Very low95 Ų95139 Ų13962%0.61778%0.781SS**  cis-125.4-175.9-13.433.4-13.3000113.4
512E27.3Very low30.7Very low169 Ų169138.3 Ų138.379%0.7979%0.788SS**  171.8115.1113.2-90.5-158.2103.800115
513L33.4Very low30.6Very low138 Ų138137.6 Ų137.672%0.72379%0.789SS**  trans30.6133.1131.8-52.7175.7000122.3
514I32.1Very low30.6Very low166 Ų166138.7 Ų138.785%0.85179%0.794SS**  -174.6146.8102.1-93.3164000111.3
515D31.4Very low31.2Very low138 Ų138138.2 Ų138.274%0.73879%0.788SS**  trans-81161.8-172.4-44.4-97.2000115.9
516K32Very low31.1Very low172 Ų172140.6 Ų140.675%0.74879%0.792SS**  -176.9124.1101.6-101.2-178.2176.5-74.20117.6
517E28.8Very low31Very low157 Ų157135.6 Ų135.673%0.73479%0.791SS**  trans46.3121.3132.1-93165.6106.600122.8
518S29.7Very low31.1Very low107 Ų107134.6 Ų134.675%0.74878%0.784SS**  trans-80.5176149.1-47.40000111.2
519P41.2Very low32Very low131 Ų131135 Ų13585%0.85178%0.779SS**  -144.1174.295.938.1-23.2000115.1
520S24.4Very low31.9Very low105 Ų105135.3 Ų135.373%0.73477%0.773SS**  trans-103.2169.6-18052.30000112.7
521L26.8Very low32.1Very low160 Ų160134.4 Ų134.484%0.83877%0.768SS**  -176.5151127.9-98.2169.5000114.6
522T24.9Very low31.2Very low119 Ų119138.6 Ų138.673%0.7378%0.779SS**  trans-36.2146.5176.149.80000120.8
523S27.8Very low31.5Very low128 Ų128135.7 Ų135.790%0.89578%0.778SS**  -172.6153.2116.331.10000113.6
524E27.9Very low31.8Very low161 Ų161134.4 Ų134.475%0.75278%0.78SS**  trans-121.8153.7171.9-121.2-94.6139.200106.6E526E524-E526 PolarHBondContact OE2-N 2.86Å; E524-E526 VanDerWaalsContact OE2-N 3.12Å
525P38.9Very low32.2Very low114 Ų114134.4 Ų134.474%0.7478%0.781SS**  -154.214795.338.2-19.5000118.2
526E26.7Very low32.8Very low167 Ų167132.4 Ų132.478%0.7878%0.778SS**  trans22.4144.9142.6-65.6-166.5100.400124.2E524E524-E526 PolarHBondContact OE2-N 2.86Å; E524-E526 VanDerWaalsContact OE2-N 3.12Å
527S28.9Very low33.5Very low119 Ų119132 Ų13283%0.83278%0.783SS**  trans112.6159.3141.280.50000120
528V30.7Very low34.4Very low135 Ų135132.6 Ų132.682%0.81878%0.784SS**  trans-158163-143.31740000109.1
529P49.7Very low34.8Very low117 Ų117133.1 Ų133.176%0.7679%0.787SS**  cis-122.6-177.6-25.537.2-22.4000113.4
530A27Very low34.9Very low86 Ų86130.5 Ų130.571%0.71178%0.784SS**  trans-174.6134.7134.300000116.6
531N29.2Very low36Very low138 Ų138133.1 Ų133.174%0.73879%0.787SS**  trans43.1111142.7-63.5-23.4000123.9
532Q35.9Very low36.9Very low183 Ų183134 Ų13486%0.85579%0.787SS**  39.5109119.5-57.7179.713.500120
533S33.8Very low37.5Very low109 Ų109135.8 Ų135.876%0.76279%0.791SS**  trans-166.5138.1139.248.30000113.9
534S40.3Very low37.9Very low110 Ų110135.5 Ų135.577%0.76978%0.783SS**  trans65.4167.4165.478.90000115.8
535L39.8Very low38.3Very low166 Ų166134.2 Ų134.287%0.86979%0.787SS**  cis-127.9169.322.6-76.2164.7000114.9
536S43.4Very low38.2Very low96 Ų96140.3 Ų140.367%0.67180%0.795SS**  trans-84.4151.7-174.4-177.10000114.2F538S536-F538 VanDerWaalsContact C-N 3.26Å; S536-F538 PolarHBondContact O-N 3.47Å; S536-F538 VanDerWaalsContact O-N 3.15Å
537L47.6Very low38.5Very low164 Ų164135.9 Ų135.986%0.85979%0.794SS**THydrogen-bonded Turntrans-68.4-4.5-174.9-95.9163000116.7
538F47.3Very low38.6Very low169 Ų169137.5 Ų137.574%0.74180%0.798SS**THydrogen-bonded Turntrans-132.817.4-168.1-75.2-77.7000115.9S536 G540S536-F538 VanDerWaalsContact C-N 3.26Å; S536-F538 PolarHBondContact O-N 3.47Å; S536-F538 VanDerWaalsContact O-N 3.15Å; F538-G540 PolarHBondContact O-N 3.05Å; F538-G540 VanDerWaalsContact O-N 3.08Å
539S37.8Very low38.5Very low118 Ų118135.8 Ų135.883%0.82580%0.799SS**THydrogen-bonded Turntrans-79.587.4177.3-175.60000112.1
540G43.8Very low37.8Very low76 Ų76138.1 Ų138.178%0.78480%0.804SS**THydrogen-bonded Turntrans158.92.5169.100000119.1F538F538-G540 PolarHBondContact O-N 3.05Å; F538-G540 VanDerWaalsContact O-N 3.08Å
541M47.1Very low38Very low160 Ų160145.6 Ų145.679%0.78882%0.815SS**  trans-107.794.6-178.1-68.7-178.568.200112.4
542E46.5Very low38Very low179 Ų179142 Ų14284%0.83681%0.812SS**  trans-97.6124.6169.9-171.6171.7-165.400110.6
543L37Very low37.6Very low157 Ų157144.4 Ų144.482%0.82281%0.812SS**  trans-100.8100.6-177.7-76.1170.4000111.3T545L543-T545 PolarHBondContact O-N 3.22Å
544V37.3Very low37.2Very low121 Ų121146 Ų14673%0.73381%0.812SS**  trans-90.2104175.1-177.90000110.6
545T36.3Very low36.5Very low134 Ų134147.8 Ų147.882%0.82281%0.813SS**  trans-125.2101.8167.7460000110.6L543L543-T545 PolarHBondContact O-N 3.22Å
546R36.8Very low36.8Very low243 Ų243144.1 Ų144.192%0.91780%0.8SS**  trans-86.8117.3168.9-88.8-174.2169.3-175-2.4109.6
547G32.4Very low36Very low74 Ų74148.2 Ų148.276%0.76381%0.808SS**  trans-89.9145.3164.700000112.1
548V29.8Very low35.1Very low152 Ų152143.5 Ų143.592%0.92179%0.793SS**  trans-137.8152.3166-179.10000107.8
549A29.7Very low34.1Very low100 Ų100143.6 Ų143.683%0.82680%0.796SS**  trans-105.4178.7-155.200000116.6
550L35.7Very low33.7Very low165 Ų165143 Ų14386%0.86479%0.792SS**  trans-75.6143.6-171.9-60.9160.8000115.3
551Y31.3Very low32.9Very low243 Ų243145.8 Ų145.895%0.95379%0.788SS**  trans-159.8151.7145.5-85.7-80000107.2
552G27.4Very low32.1Very low64 Ų64146 Ų14666%0.6679%0.785SS**  cis147.4117.1-9.800000112.6
553R27.6Very low31.4Very low232 Ų232142.1 Ų142.188%0.87577%0.773SS**  trans68.9160.5178-88.7179.4171.3154.62.5116.3
554D25.3Very low31.1Very low142 Ų142141.6 Ų141.676%0.75977%0.771SS**  cis-143.4179.98.8-116.8-36.2000113.5
555N25.7Very low30.7Very low148 Ų148143.7 Ų143.779%0.79177%0.773SS**  trans-110.8-166.4175.1-144.610.8000109
556P47.7Very low30.5Very low89 Ų89141.2 Ų141.258%0.57876%0.761SS**  cis-137.7-156.4-11.127.30.7000114.1
557H25.9Very low30.2Very low182 Ų182134.9 Ų134.984%0.84375%0.754SS**  trans77.4151.1163-77.8-70.9000118.8
558A28.9Very low30.2Very low66 Ų66136 Ų13655%0.54575%0.751SS.*  cis-156.7167-5.900000112.5
559E25.6Very low30.4Very low171 Ų171135 Ų13580%0.79974%0.744SS**  trans47.1131.8152.1-69166.4120.200120.9
560S28.9Very low30.5Very low106 Ų106135.7 Ų135.774%0.74174%0.738SS**  cis74.79527.5-1620000116.4
561N27.3Very low30.5Very low133 Ų133135.3 Ų135.371%0.71173%0.732SS**  trans172145.8154.1-93.3-45.9000108.7
562K31.1Very low30.6Very low166 Ų166129.9 Ų129.972%0.72273%0.725SS**  cis-168.3155.1-11.5-138.6-177.1-176.2-177.80111.1
563T32.5Very low30.7Very low97 Ų97129.8 Ų129.860%0.59572%0.723SS**  trans28.2144.7143.755.10000121.8
564D30Very low31.3Very low145 Ų145126.2 Ų126.278%0.77572%0.721SS**  cis-160.8-144-2.9-101-10.3000108.2
565E29.6Very low31.6Very low166 Ų166126.5 Ų126.578%0.77672%0.722SS**  cis-163.7169.39.4-146.4-156.6107.700113.3
566S31Very low31.9Very low81 Ų81123.6 Ų123.657%0.56672%0.719SS**  trans29.5111.4150.8-69.30000122.8
567S31.3Very low31.2Very low110 Ų110127.9 Ų127.977%0.76973%0.731SS**  101155.194.178.30000113.8
568S31.7Very low31.3Very low99 Ų99123.6 Ų123.669%0.69272%0.721SS**  cis-170.5167.3-18.555.70000111.1
569V33.7Very low31.5Very low129 Ų129124.8 Ų124.878%0.78273%0.725SS**  trans68.2152.2151.6161.30000117.5
570T32.4Very low31.9Very low115 Ų115124 Ų12471%0.70672%0.721SS**  cis-167170.4-2739.60000107.6
571Q35.8Very low32Very low157 Ų157125.4 Ų125.473%0.73472%0.721SS**  cis178.5153.5-28.8-177.4-176.7-96.800109.2
572T32.4Very low32.1Very low130 Ų130124.4 Ų124.480%0.79872%0.724SS**  trans66151.3165.229.20000119.2
573G31.4Very low32Very low61 Ų61121.3 Ų121.363%0.62972%0.724SS**  cis160165.4-11.400000115.4
574L38.3Very low31.9Very low158 Ų158123 Ų12383%0.82773%0.734SS**  trans69.9156.6165.7-45.5179.8000116.9
575N33Very low31.8Very low147 Ų147122.4 Ų122.479%0.78673%0.734SS**  cis-161.3179.3-16.7-102.214.9000106.9
576A32Very low32Very low87 Ų87126.2 Ų126.272%0.71974%0.742SS**  cis-141.3-169.26.300000108.3
577E31.7Very low31.8Very low179 Ų179130.2 Ų130.284%0.83676%0.755SS**  cis76.8137.622.4-94.3-161.1108.900118
578C29.8Very low31.9Very low92 Ų92133 Ų13362%0.62276%0.756SS**  cis-166.5155.11-159.50000113.9
579S32.7Very low31.7Very low92 Ų92134.7 Ų134.764%0.64376%0.757SS**  trans58163.1150.2-71.10000122.2
580Q33.4Very low31.6Very low153 Ų153137.4 Ų137.472%0.71575%0.754SS**  cis-163.2155.6-13.3-112.5175.833.900113.6
581N30.8Very low31.7Very low136 Ų136138.9 Ų138.973%0.72775%0.753SS**  trans34136144-51.4-14000124.6
582S30.4Very low31.3Very low112 Ų112141 Ų14178%0.78376%0.762SS**  153.8150.498.8-1570000117.5
583S29Very low31.4Very low102 Ų102142.2 Ų142.271%0.71376%0.759SS**  trans19.8131.7159.1-64.60000123.1
584V30Very low32Very low133 Ų133144.8 Ų144.881%0.80677%0.765SS**  88120.552.91730000115.4
585V27.2Very low31.6Very low131 Ų131142.1 Ų142.179%0.79476%0.759SS**  trans165.9151.8140.9153.90000110.9
586W33.3Very low31.4Very low247 Ų247138.8 Ų138.894%0.93676%0.76SS**  trans-105.5151.2179-66.170.7000113.1
587I26.9Very low31.2Very low165 Ų165140.6 Ų140.685%0.84677%0.765SS**  trans-142.5155.5159.3-68.5-169.3000109.9
588E33.6Very low31.2Very low167 Ų167143 Ų14378%0.7877%0.767SS**  trans-118.4173.5-168.1-177.1176.3-15600112.9
589N28.3Very low31.6Very low135 Ų135144.5 Ų144.572%0.72278%0.775SS**  trans99.2153169.8-59.3-80.5000117.8
590R31.1Very low31.7Very low187 Ų187145.7 Ų145.771%0.70678%0.778SS**  cis-174.6146.5-29.4179.7166.2168.11537.1109.7
591E34Very low31.5Very low146 Ų146143.3 Ų143.368%0.68278%0.779SS**  trans49.4122.9161.4-76158.517600122.2
592E28.9Very low32Very low200 Ų200142 Ų14294%0.93578%0.781SS**  -165.1167.5103.1-111.8-168.415900112.1
593E34.1Very low32.1Very low157 Ų157143.3 Ų143.373%0.73478%0.779SS**  trans-138.3152.4-174.8-127-93.8160.300108.4S595E593-S595 PolarHBondContact OE2-N 3.11Å
594P42.6Very low32.6Very low115 Ų115144.2 Ų144.275%0.74778%0.782SS**  -154.9125113.935-14.8000118.2
595S31Very low33Very low102 Ų102146 Ų14671%0.71378%0.781SS**  trans79.2124131.475.70000121.1E593E593-S595 PolarHBondContact OE2-N 3.11Å
596G28.1Very low33.5Very low77 Ų77145.4 Ų145.479%0.79478%0.78SS**  trans-166.1115.8162.500000110.6
597C28.8Very low33.8Very low124 Ų124139.1 Ų139.184%0.83877%0.769SS**  trans-99126.1-162.5-79.20000116
598R30.9Very low35.1Very low231 Ų231132.3 Ų132.387%0.87274%0.736SS**  trans71.1163.8146.3-83-174.1173.9-167.3-2.2117.9
599P39.1Very low35.9Very low123 Ų123127.3 Ų127.380%0.79972%0.717SS**  cis-109.71687.540.5-31.7000116.2
600V34.7Very low37.3Very low116 Ų116121.4 Ų121.470%0.70369%0.685SS**  trans-88.3132.8171.2171.30000109.5
601S28.6Very low38.2Very low103 Ų103116 Ų11672%0.7268%0.676SS**  trans-96.9123.4156.950.60000109.1D603S601-D603 PolarHBondContact O-N 3.34Å
602S42Very low39Very low110 Ų110118 Ų11877%0.76968%0.682SS**  trans-98.266.9-174.6-59.80000112
603D32.3Very low40Very low139 Ų139110.9 Ų110.974%0.74365%0.651SS**  trans-105.1119.5171.6-73.3-64.6000109.9S601 E605S601-D603 PolarHBondContact O-N 3.34Å; D603-E605 PolarHBondContact O-N 3.05Å
604P38.3Very low40.2Very low121 Ų121108.7 Ų108.779%0.78664%0.644SS**  trans-78.4107.817330.6-30.8000109.4
605E38.8Very low40Very low169 Ų169111.9 Ų111.979%0.7967%0.669SS**  trans-56.7137.9167.9-73-159.5136.300110.3D603 V607D603-E605 PolarHBondContact O-N 3.05Å; E605-V607 PolarHBondContact O-N 2.87Å
606P37.7Very low40.4Very low119 Ų119112.4 Ų112.477%0.77367%0.667SS**  trans-75.477.1177.532.2-35000110.2S608P606-S608 PolarHBondContact O-N 2.81Å; P606-S608 VanDerWaalsContact O-N 3.13Å
607V40.3Very low41.1Very low116 Ų116114.3 Ų114.370%0.70366%0.66SS**  trans-55.7118172.5-179.40000109E605 V609E605-V607 PolarHBondContact O-N 2.87Å; V607-V609 PolarHBondContact O-N 3.47Å
608S54.8Low41.7Very low22 Ų22113.7 Ų113.715%0.15465%0.65CS.*  trans-63.9134.8176.8170.90000110.6E56 P606 F610 S611E56-S608 VanDerWaalsContact CD-OG 3.29Å; E56-S608 VanDerWaalsContact OE1-CB 3.22Å; E56-S608 WeakPolarHBondContact OE1-CB 3.22Å; E56-S608 PolarHBondContact OE1-OG 3.12Å; E56-S608 PolarHBondContact OE2-OG 3.36Å; P606-S608 PolarHBondContact O-N 2.81Å; P606-S608 VanDerWaalsContact O-N 3.13Å; S608-F610 PolarHBondContact O-N 3.5Å; S608-F610 PolarHBondContact OG-N 3.21Å; S608-S611 PolarHBondContact O-OG 3.27Å
609V49.7Very low42.4Very low62 Ų62106.8 Ų106.838%0.37664%0.637SS.*THydrogen-bonded Turntrans-63.6-19.3174.6-173.30000111.7L11 V607L11-V609 HydrophobicContact CD2-CG1 4.35Å; V607-V609 PolarHBondContact O-N 3.47Å
610F57.9Low42.6Very low10 Ų10105.8 Ų105.84%0.04463%0.627CS.*THydrogen-bonded Turntrans-1003.2-170.9-56-72.8000114.4F10 I14 E52 Y53 E56 S608 F612 L613F10-F610 HydrophobicContact CD1-CE1 4.26Å; F10-F610 AromaticContact CD1-CZ 3.96Å; F10-F610 HydrophobicContact CD1-CZ 3.96Å; F10-F610 AromaticContact CE1-CE1 3.97Å; F10-F610 HydrophobicContact CE1-CE1 3.97Å; F10-F610 AromaticContact CE1-CZ 3.67Å; F10-F610 HydrophobicContact CE1-CZ 3.67Å; I14-F610 HydrophobicContact CD1-CD1 4.1Å; I14-F610 HydrophobicContact CD1-CE1 3.78Å; I14-F610 HydrophobicContact CG1-CE1 4.16Å; E52-F610 HydrophobicContact CB-CE2 4.15Å; E52-F610 HydrophobicContact CG-CD2 4.07Å; E52-F610 HydrophobicContact CG-CE2 3.89Å; Y53-F610 HydrophobicContact CD2-CD1 4.11Å; Y53-F610 HydrophobicContact CD2-CE1 4.22Å; E56-F610 VanDerWaalsContact OE2-CB 3.29Å; E56-F610 WeakPolarHBondContact OE2-CB 3.32Å; S608-F610 PolarHBondContact O-N 3.5Å; S608-F610 PolarHBondContact OG-N 3.21Å; F610-F612 PolarHBondContact O-N 2.97Å; F610-L613 HydrophobicContact CB-CD1 4.17Å; F610-L613 HydrophobicContact CD1-CD1 3.98Å; F610-L613 WeakPolarHBondContact O-CB 3.43Å; F610-L613 PolarHBondContact O-N 3.31Å
611S50.2Low43.1Very low74 Ų74105.1 Ų105.152%0.51762%0.622SS.*G310 helixtrans-52.1-19.2-177.2-54.40000115.1S608S608-S611 PolarHBondContact O-OG 3.27Å
612F50.2Low44.1Very low187 Ų187105.3 Ų105.382%0.8262%0.615SS**G310 helixtrans-83.70.2176.9-56.2-80.4000114.9F610F610-F612 PolarHBondContact O-N 2.97Å
613L49.5Very low44.3Very low52 Ų52104.9 Ų104.927%0.27260%0.604SS.*G310 helixtrans-99.38.9-175.2-62-178.8000114.9I14 M18 Y53 F610I14-L613 HydrophobicContact CG2-CD1 4.15Å; M18-L613 HydrophobicContact SD-CD1 4.48Å; M18-L613 HydrophobicContact SD-CD2 4.14Å; Y53-L613 HydrophobicContact CD2-CD1 4.28Å; Y53-L613 HydrophobicContact CE2-CD1 3.93Å; F610-L613 HydrophobicContact CB-CD1 4.17Å; F610-L613 HydrophobicContact CD1-CD1 3.98Å; F610-L613 WeakPolarHBondContact O-CB 3.43Å; F610-L613 PolarHBondContact O-N 3.31Å
614N39.6Very low45.3Very low110 Ų110102.1 Ų102.159%0.58859%0.592SS**  trans-108.461.7174.9-80.5-14.3000110.7
615S37Very low45.9Very low183 Ų183100.4 Ų100.4100%1.2857%0.574SS**  trans-148.20175.1-650000110.7

Retrieved 615 of 615 residues in 219.2 ms (Link to these results)

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