A0A5K4EU44_SCHMA Loading...

Putative nuclear matrix protein

AlphaFold DB , UniProt , Accession A0A5K4EU44, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 636 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.6Very low61.2Low215 Ų21590.6 Ų90.6100%1.05954%0.536SS*.  0-56.20-62.5-168.4-158.900111.5V3 G4 Q5M1-V3 VanDerWaalsContact C-N 3.35Å; M1-V3 PolarHBondContact O-N 2.92Å; M1-V3 VanDerWaalsContact O-N 3.17Å; M1-G4 PolarHBondContact O-N 3.3Å; M1-Q5 PolarHBondContact O-N 3.38Å
2S47.6Very low62.6Low88 Ų8888.7 Ų88.762%0.61552%0.516SS*.Hα-helixtrans-42.7-49.4178.7164.40000115.3G4 Q5 S6S2-G4 PolarHBondContact O-N 2.83Å; S2-G4 VanDerWaalsContact O-N 3.15Å; S2-Q5 WeakPolarHBondContact O-CB 3.38Å; S2-Q5 PolarHBondContact O-N 3.24Å; S2-S6 PolarHBondContact O-N 3Å; S2-S6 VanDerWaalsContact O-N 3.1Å; S2-S6 PolarHBondContact O-OG 3.46Å
3V49.3Very low63.9Low124 Ų12483.6 Ų83.675%0.75249%0.494SS*.Hα-helixtrans-58.2-30179.1-174.60000113.8M1 S6 G7M1-V3 VanDerWaalsContact C-N 3.35Å; M1-V3 PolarHBondContact O-N 2.92Å; M1-V3 VanDerWaalsContact O-N 3.17Å; V3-S6 PolarHBondContact O-OG 2.84Å; V3-G7 PolarHBondContact O-N 3.13Å
4G54.7Low65Low51 Ų5182.9 Ų82.953%0.52649%0.491SS..Hα-helixtrans-79.1-28.9176.300000113.2M1 S2 A8M1-G4 PolarHBondContact O-N 3.3Å; S2-G4 PolarHBondContact O-N 2.83Å; S2-G4 VanDerWaalsContact O-N 3.15Å; G4-A8 PolarHBondContact O-N 3.43Å
5Q56.8Low66Low120 Ų12077.4 Ų77.456%0.56146%0.458SS*.Hα-helixtrans-71.7-45.9175.5-69.5171.6-65.300110.5M1 S2 G7 A8 E9M1-Q5 PolarHBondContact O-N 3.38Å; S2-Q5 WeakPolarHBondContact O-CB 3.38Å; S2-Q5 PolarHBondContact O-N 3.24Å; Q5-G7 VanDerWaalsContact C-N 3.3Å; Q5-G7 PolarHBondContact O-N 3.32Å; Q5-A8 PolarHBondContact O-N 3.37Å; Q5-A8 VanDerWaalsContact O-N 3.1Å; Q5-E9 WeakPolarHBondContact O-CG 3.5Å; Q5-E9 PolarHBondContact O-N 3.12Å
6S61.1Low66.9Low51 Ų5176.6 Ų76.636%0.35745%0.447SS..Hα-helixtrans-59.9-37.9176.6550000112.8S2 V3 E9 L10S2-S6 PolarHBondContact O-N 3Å; S2-S6 VanDerWaalsContact O-N 3.1Å; S2-S6 PolarHBondContact O-OG 3.46Å; V3-S6 PolarHBondContact O-OG 2.84Å; S6-E9 PolarHBondContact O-N 3.35Å; S6-L10 WeakPolarHBondContact O-CB 3.36Å; S6-L10 WeakPolarHBondContact O-CD1 3.44Å; S6-L10 VanDerWaalsContact O-CG 3.23Å; S6-L10 WeakPolarHBondContact O-CG 3.36Å; S6-L10 PolarHBondContact O-N 3.33Å
7G66.9Low67.6Low28 Ų2877.8 Ų77.829%0.28945%0.452SS..Hα-helixtrans-65.1-37.4175.500000113.5V3 Q5 S11V3-G7 PolarHBondContact O-N 3.13Å; Q5-G7 VanDerWaalsContact C-N 3.3Å; Q5-G7 PolarHBondContact O-N 3.32Å; G7-S11 WeakPolarHBondContact O-CB 3.36Å; G7-S11 PolarHBondContact O-N 3.18Å; G7-S11 PolarHBondContact O-OG 3.26Å
8A67.5Low68.2Low33 Ų3375.2 Ų75.227%0.27344%0.435SS..Hα-helixtrans-71.5-40.9176.100000112.3G4 Q5 S11 F12 L39G4-A8 PolarHBondContact O-N 3.43Å; Q5-A8 PolarHBondContact O-N 3.37Å; Q5-A8 VanDerWaalsContact O-N 3.1Å; A8-S11 PolarHBondContact O-N 3.27Å; A8-F12 WeakPolarHBondContact O-CB 3.38Å; A8-F12 PolarHBondContact O-N 2.9Å; A8-L39 HydrophobicContact CB-CD1 4.29Å
9E73.8Confident68.7Low137 Ų13771.3 Ų71.364%0.6441%0.412SS*.Hα-helixtrans-63.9-43.9175.9-72.5169.4-176.800112Q5 S6 F12 G13Q5-E9 WeakPolarHBondContact O-CG 3.5Å; Q5-E9 PolarHBondContact O-N 3.12Å; S6-E9 PolarHBondContact O-N 3.35Å; E9-F12 WeakPolarHBondContact O-CB 3.3Å; E9-F12 PolarHBondContact O-N 3.34Å; E9-G13 PolarHBondContact O-N 3.1Å
10L75.6Confident69Low127 Ų12771.3 Ų71.367%0.66541%0.409SS*.Hα-helixtrans-61.9-44.8173.4-71.8167.9000111.7S6 F12 G13 V14S6-L10 WeakPolarHBondContact O-CB 3.36Å; S6-L10 WeakPolarHBondContact O-CD1 3.44Å; S6-L10 VanDerWaalsContact O-CG 3.23Å; S6-L10 WeakPolarHBondContact O-CG 3.36Å; S6-L10 PolarHBondContact O-N 3.33Å; L10-F12 VanDerWaalsContact C-N 3.3Å; L10-F12 PolarHBondContact O-N 2.79Å; L10-G13 PolarHBondContact O-N 3.06Å; L10-V14 WeakPolarHBondContact O-CG2 3.48Å; L10-V14 PolarHBondContact O-N 3.18Å
11S74.6Confident69Low23 Ų2370.1 Ų70.116%0.16140%0.401CS..Hα-helixtrans-63.3-36.7176.7-58.20000112.2G7 A8 I15G7-S11 WeakPolarHBondContact O-CB 3.36Å; G7-S11 PolarHBondContact O-N 3.18Å; G7-S11 PolarHBondContact O-OG 3.26Å; A8-S11 PolarHBondContact O-N 3.27Å; S11-I15 WeakPolarHBondContact O-CG1 3.35Å; S11-I15 PolarHBondContact O-N 3.43Å; S11-I15 VanDerWaalsContact O-N 3.13Å
12F78.2Confident69.7Low67 Ų6766.3 Ų66.329%0.29439%0.392SS..Hα-helixtrans-65.6-44.8174.4-174.6-111000111.7A8 E9 L10 I15 K16 L45 V48 A49A8-F12 WeakPolarHBondContact O-CB 3.38Å; A8-F12 PolarHBondContact O-N 2.9Å; E9-F12 WeakPolarHBondContact O-CB 3.3Å; E9-F12 PolarHBondContact O-N 3.34Å; L10-F12 VanDerWaalsContact C-N 3.3Å; L10-F12 PolarHBondContact O-N 2.79Å; F12-I15 PolarHBondContact O-N 3.48Å; F12-K16 VanDerWaalsContact O-CB 3.31Å; F12-K16 WeakPolarHBondContact O-CB 3.31Å; F12-K16 PolarHBondContact O-N 3.33Å; F12-L45 HydrophobicContact CB-CD1 3.87Å; F12-L45 HydrophobicContact CB-CG 4.49Å; F12-L45 HydrophobicContact CD2-CD1 3.81Å; F12-L45 HydrophobicContact CD2-CG 4.22Å; F12-L45 HydrophobicContact CG-CD1 4.28Å; F12-V48 HydrophobicContact CE2-CB 4.26Å; F12-V48 HydrophobicContact CE2-CG1 3.81Å; F12-V48 HydrophobicContact CZ-CG1 4.04Å; F12-A49 HydrophobicContact CD2-CB 4.34Å; F12-A49 HydrophobicContact CE2-CB 3.81Å
13G78.9Confident70.2Confident23 Ų2366.5 Ų66.524%0.23739%0.393CS..Hα-helixtrans-55-52.4174.400000111.4E9 L10 I15 K16 D17E9-G13 PolarHBondContact O-N 3.1Å; L10-G13 PolarHBondContact O-N 3.06Å; G13-I15 PolarHBondContact O-N 3.36Å; G13-K16 WeakPolarHBondContact O-CA 3.17Å; G13-K16 WeakPolarHBondContact O-CB 3.37Å; G13-K16 PolarHBondContact O-N 3.41Å; G13-D17 PolarHBondContact O-N 2.92Å
14V80.1Confident70.8Confident73 Ų7362.3 Ų62.344%0.44238%0.376SS..Hα-helixtrans-57.6-44.8178.2173.10000112.4L10 D17 I18L10-V14 WeakPolarHBondContact O-CG2 3.48Å; L10-V14 PolarHBondContact O-N 3.18Å; V14-D17 PolarHBondContact O-N 3.27Å; V14-I18 HydrophobicContact CG1-CD1 3.77Å; V14-I18 VanDerWaalsContact O-CD1 3.26Å; V14-I18 WeakPolarHBondContact O-CD1 3.41Å; V14-I18 WeakPolarHBondContact O-CG1 3.4Å; V14-I18 PolarHBondContact O-N 2.98Å
15I78.8Confident71.3Confident1 Ų161 Ų611%0.00536%0.355CS..Hα-helixtrans-64.5-42.5175.6-65.7163000110.9S11 F12 G13 I18 L19 L30 I37 L45 I46 A49S11-I15 WeakPolarHBondContact O-CG1 3.35Å; S11-I15 PolarHBondContact O-N 3.43Å; S11-I15 VanDerWaalsContact O-N 3.13Å; F12-I15 PolarHBondContact O-N 3.48Å; G13-I15 PolarHBondContact O-N 3.36Å; I15-I18 PolarHBondContact O-N 2.96Å; I15-L19 HydrophobicContact CG2-CD1 3.97Å; I15-L19 HydrophobicContact CG2-CG 4.31Å; I15-L19 WeakPolarHBondContact O-CB 3.29Å; I15-L19 VanDerWaalsContact O-CG 3.31Å; I15-L19 WeakPolarHBondContact O-CG 3.43Å; I15-L19 PolarHBondContact O-N 2.69Å; I15-L30 HydrophobicContact CG2-CD1 4.34Å; I15-I37 HydrophobicContact CD1-CD1 3.54Å; I15-I37 HydrophobicContact CG1-CD1 3.72Å; I15-L45 HydrophobicContact CD1-CB 4.42Å; I15-L45 HydrophobicContact CD1-CD2 3.6Å; I15-L45 HydrophobicContact CD1-CG 3.88Å; I15-I46 HydrophobicContact CD1-CG1 3.83Å; I15-I46 HydrophobicContact CG2-CG1 4.48Å; I15-A49 HydrophobicContact CB-CB 4.42Å; I15-A49 HydrophobicContact CG2-CB 3.57Å
16K80.4Confident72.2Confident65 Ų6557.5 Ų57.528%0.28334%0.344SS..Hα-helixtrans-60.2-46.4178.9-176.3-171.7170.3-86.80110.7F12 G13 L19 E20F12-K16 VanDerWaalsContact O-CB 3.31Å; F12-K16 WeakPolarHBondContact O-CB 3.31Å; F12-K16 PolarHBondContact O-N 3.33Å; G13-K16 WeakPolarHBondContact O-CA 3.17Å; G13-K16 WeakPolarHBondContact O-CB 3.37Å; G13-K16 PolarHBondContact O-N 3.41Å; K16-L19 CarbonylContact O-C 3.59Å; K16-L19 PolarHBondContact O-N 3.41Å; K16-L19 VanDerWaalsContact O-N 3.16Å; K16-E20 WeakPolarHBondContact CE-OE1 3.45Å; K16-E20 VanDerWaalsContact NZ-CD 3.28Å; K16-E20 IonicContact NZ-OE1 3.76Å; K16-E20 PolarHBondContact NZ-OE1 2.78Å; K16-E20 VanDerWaalsContact NZ-OE1 3.16Å; K16-E20 IonicContact NZ-OE2 2.67Å; K16-E20 PolarHBondContact NZ-OE2 2.97Å; K16-E20 WeakPolarHBondContact O-CB 3.5Å; K16-E20 WeakPolarHBondContact O-CG 3.35Å; K16-E20 PolarHBondContact O-N 3.17Å
17D78.7Confident73Confident97 Ų9758 Ų5852%0.51934%0.343SS..Hα-helixtrans-65.9-39.8-179.1-61-18000111.2G13 V14 L19 E20 D21G13-D17 PolarHBondContact O-N 2.92Å; V14-D17 PolarHBondContact O-N 3.27Å; D17-L19 VanDerWaalsContact C-N 3.32Å; D17-L19 PolarHBondContact O-N 3.04Å; D17-E20 CarbonylContact O-C 3.54Å; D17-E20 PolarHBondContact O-N 3.05Å; D17-E20 VanDerWaalsContact O-N 3.08Å; D17-D21 PolarHBondContact O-N 2.72Å
18I78.9Confident73.6Confident30 Ų3059.7 Ų59.715%0.15435%0.354CS..Hα-helixtrans-65-36.1173.1-67.8161.9000111.8V14 I15 E20 D21 F25 K29 T33V14-I18 HydrophobicContact CG1-CD1 3.77Å; V14-I18 VanDerWaalsContact O-CD1 3.26Å; V14-I18 WeakPolarHBondContact O-CD1 3.41Å; V14-I18 WeakPolarHBondContact O-CG1 3.4Å; V14-I18 PolarHBondContact O-N 2.98Å; I15-I18 PolarHBondContact O-N 2.96Å; I18-E20 VanDerWaalsContact C-N 3.32Å; I18-D21 WeakPolarHBondContact O-CB 3.46Å; I18-F25 WeakPolarHBondContact O-CB 3.48Å; I18-K29 HydrophobicContact CG2-CB 4.23Å; I18-T33 HydrophobicContact CD1-CG2 3.34Å; I18-T33 WeakPolarHBondContact CD1-OG1 3.28Å
19L77.9Confident74.2Confident1 Ų161.7 Ų61.71%0.00536%0.357CS..Hα-helixtrans-73.4-24.1172.9-70.5177.3000111.8I15 K16 D17 F25 A49 L50 R53I15-L19 HydrophobicContact CG2-CD1 3.97Å; I15-L19 HydrophobicContact CG2-CG 4.31Å; I15-L19 WeakPolarHBondContact O-CB 3.29Å; I15-L19 VanDerWaalsContact O-CG 3.31Å; I15-L19 WeakPolarHBondContact O-CG 3.43Å; I15-L19 PolarHBondContact O-N 2.69Å; K16-L19 CarbonylContact O-C 3.59Å; K16-L19 PolarHBondContact O-N 3.41Å; K16-L19 VanDerWaalsContact O-N 3.16Å; D17-L19 VanDerWaalsContact C-N 3.32Å; D17-L19 PolarHBondContact O-N 3.04Å; L19-F25 HydrophobicContact CD2-CD2 3.75Å; L19-F25 HydrophobicContact CD2-CE2 4.17Å; L19-A49 HydrophobicContact CD1-CB 3.71Å; L19-L50 HydrophobicContact CD1-CD2 4.11Å; L19-L50 HydrophobicContact CD1-CG 4.39Å; L19-L50 HydrophobicContact CD2-CD2 3.96Å; L19-R53 WeakPolarHBondContact O-CD 3.33Å; L19-R53 PolarHBondContact O-NE 3.42Å; L19-R53 VanDerWaalsContact O-NE 3.08Å; L19-R53 PolarHBondContact O-NH1 3.24Å
20E75.1Confident74.6Confident72 Ų7255.3 Ų55.334%0.33633%0.327SS..Hα-helixtrans-91.8-9.5178.2-73177.8174.400113.8K16 D17 I18 P22 R56K16-E20 WeakPolarHBondContact CE-OE1 3.45Å; K16-E20 VanDerWaalsContact NZ-CD 3.28Å; K16-E20 IonicContact NZ-OE1 3.76Å; K16-E20 PolarHBondContact NZ-OE1 2.78Å; K16-E20 VanDerWaalsContact NZ-OE1 3.16Å; K16-E20 IonicContact NZ-OE2 2.67Å; K16-E20 PolarHBondContact NZ-OE2 2.97Å; K16-E20 WeakPolarHBondContact O-CB 3.5Å; K16-E20 WeakPolarHBondContact O-CG 3.35Å; K16-E20 PolarHBondContact O-N 3.17Å; D17-E20 CarbonylContact O-C 3.54Å; D17-E20 PolarHBondContact O-N 3.05Å; D17-E20 VanDerWaalsContact O-N 3.08Å; I18-E20 VanDerWaalsContact C-N 3.32Å; E20-P22 WeakPolarHBondContact O-CD 3.46Å; E20-R56 IonicContact OE1-CZ 3.57Å; E20-R56 IonicContact OE1-NE 3.39Å; E20-R56 PolarHBondContact OE1-NE 3.13Å; E20-R56 IonicContact OE1-NH2 3.44Å; E20-R56 PolarHBondContact OE1-NH2 2.8Å
21D69.4Low74.9Confident46 Ų4654 Ų5425%0.24632%0.316CS..  trans-53.5109.9179.5-177.91.6000113.3D17 I18 S23 G24 K29D17-D21 PolarHBondContact O-N 2.72Å; I18-D21 WeakPolarHBondContact O-CB 3.46Å; D21-S23 PolarHBondContact O-N 3.19Å; D21-S23 VanDerWaalsContact OD1-CB 3.28Å; D21-S23 WeakPolarHBondContact OD1-CB 3.33Å; D21-S23 PolarHBondContact OD1-N 3.23Å; D21-S23 PolarHBondContact OD1-OG 3.25Å; D21-S23 PolarHBondContact OD2-OG 3.35Å; D21-G24 PolarHBondContact O-N 2.98Å; D21-K29 IonicContact OD2-NZ 2.76Å; D21-K29 PolarHBondContact OD2-NZ 2.82Å
22P60Low75.2Confident135 Ų13557.2 Ų57.288%0.87734%0.335SS*.THydrogen-bonded Turntrans-66.5-18.3179.4-19.933.3000113.7E20 G24E20-P22 WeakPolarHBondContact O-CD 3.46Å; P22-G24 PolarHBondContact O-N 3.29Å
23S58.6Low75.3Confident92 Ų9255.5 Ų55.564%0.64333%0.33SS*.THydrogen-bonded Turntrans-76.14.4-18074.80000114D21 K29D21-S23 PolarHBondContact O-N 3.19Å; D21-S23 VanDerWaalsContact OD1-CB 3.28Å; D21-S23 WeakPolarHBondContact OD1-CB 3.33Å; D21-S23 PolarHBondContact OD1-N 3.23Å; D21-S23 PolarHBondContact OD1-OG 3.25Å; D21-S23 PolarHBondContact OD2-OG 3.35Å; S23-K29 PolarHBondContact OG-NZ 2.97Å
24G60Low75.2Confident37 Ų3754.7 Ų54.738%0.38132%0.321SS..  trans95.1102.8-17700000111.9D21 P22 S26 K29D21-G24 PolarHBondContact O-N 2.98Å; P22-G24 PolarHBondContact O-N 3.29Å; G24-S26 PolarHBondContact O-N 3.3Å; G24-K29 PolarHBondContact O-NZ 2.7Å
25F66.7Low75.2Confident22 Ų2256.9 Ų56.910%0.09633%0.326CS..  trans-63.9124.3160.875.1-58.8000110I18 L19 T68 L69 M72I18-F25 WeakPolarHBondContact O-CB 3.48Å; L19-F25 HydrophobicContact CD2-CD2 3.75Å; L19-F25 HydrophobicContact CD2-CE2 4.17Å; F25-T68 HydrophobicContact CE1-CG2 3.95Å; F25-T68 HydrophobicContact CZ-CG2 4.17Å; F25-L69 HydrophobicContact CE2-CD1 3.98Å; F25-L69 HydrophobicContact CZ-CD1 4.18Å; F25-M72 HydrophobicContact CD2-CE 3.82Å; F25-M72 HydrophobicContact CD2-CG 4.01Å; F25-M72 HydrophobicContact CE2-CB 3.54Å; F25-M72 HydrophobicContact CE2-CE 3.82Å; F25-M72 HydrophobicContact CE2-CG 3.49Å; F25-M72 VanDerWaalsContact CE2-CG 3.49Å; F25-M72 HydrophobicContact CG-CE 4.32Å; F25-M72 HydrophobicContact CZ-CB 3.93Å; F25-M72 HydrophobicContact CZ-CE 4.25Å; F25-M72 HydrophobicContact CZ-CG 4.32Å; F25-M72 VanDerWaalsContact O-CE 3.23Å; F25-M72 WeakPolarHBondContact O-CE 3.1Å
26S74.2Confident75.2Confident47 Ų4760.6 Ų60.633%0.32936%0.357SS..  trans-112.7153.8177.5750000110.9G24 A28 K29 L30G24-S26 PolarHBondContact O-N 3.3Å; S26-A28 PolarHBondContact O-N 3.16Å; S26-K29 PolarHBondContact O-N 2.87Å; S26-K29 VanDerWaalsContact O-N 3.08Å; S26-K29 PolarHBondContact OG-N 3.17Å; S26-L30 PolarHBondContact O-N 2.87Å
27L78.6Confident75.1Confident62 Ų6258.2 Ų58.233%0.32535%0.347SS..Hα-helixtrans-56.8-32.5174.1-174.967.8000111.2K31 M72 A75 A76 A79 L81L27-K31 WeakPolarHBondContact O-CB 3.32Å; L27-K31 PolarHBondContact O-N 2.77Å; L27-M72 HydrophobicContact CB-SD 3.84Å; L27-M72 HydrophobicContact CD1-SD 4.11Å; L27-A75 HydrophobicContact CD1-CB 4.19Å; L27-A75 HydrophobicContact CD2-CB 4.14Å; L27-A76 HydrophobicContact CD1-CB 4.38Å; L27-A79 HydrophobicContact CD1-CB 4.3Å; L27-A79 HydrophobicContact CD2-CB 4.48Å; L27-L81 HydrophobicContact CD1-CD1 3.93Å
28A80.1Confident74.7Confident64 Ų6462.9 Ų62.953%0.52937%0.366SS..Hα-helixtrans-65.9-49.117400000112.1S26 L30 K31 T32S26-A28 PolarHBondContact O-N 3.16Å; A28-L30 VanDerWaalsContact C-N 3.32Å; A28-L30 PolarHBondContact O-N 3.14Å; A28-K31 PolarHBondContact O-N 3.14Å; A28-T32 PolarHBondContact O-N 2.9Å; A28-T32 PolarHBondContact O-OG1 2.82Å
29K80.1Confident74.5Confident75 Ų7563.8 Ų63.833%0.32637%0.371SS..Hα-helixtrans-54.1-49174.1-77.1177.4176.6175.30110.6I18 D21 S23 G24 S26 T33I18-K29 HydrophobicContact CG2-CB 4.23Å; D21-K29 IonicContact OD2-NZ 2.76Å; D21-K29 PolarHBondContact OD2-NZ 2.82Å; S23-K29 PolarHBondContact OG-NZ 2.97Å; G24-K29 PolarHBondContact O-NZ 2.7Å; S26-K29 PolarHBondContact O-N 2.87Å; S26-K29 VanDerWaalsContact O-N 3.08Å; S26-K29 PolarHBondContact OG-N 3.17Å; K29-T33 PolarHBondContact O-N 3.46Å; K29-T33 PolarHBondContact O-OG1 3.16Å; K29-T33 VanDerWaalsContact O-OG1 3.05Å
30L81Confident74.3Confident2 Ų274.4 Ų74.41%0.0142%0.417CS..Hα-helixtrans-65.1-38.5179.8-175.265.2000112.8I15 S26 A28 T33 A34 A76 L81I15-L30 HydrophobicContact CG2-CD1 4.34Å; S26-L30 PolarHBondContact O-N 2.87Å; A28-L30 VanDerWaalsContact C-N 3.32Å; A28-L30 PolarHBondContact O-N 3.14Å; L30-T33 PolarHBondContact O-OG1 3.05Å; L30-A34 WeakPolarHBondContact O-CB 3.47Å; L30-A34 PolarHBondContact O-N 3.4Å; L30-A76 HydrophobicContact CD2-CB 4.09Å; L30-L81 HydrophobicContact CD2-CD1 4.31Å; L30-L81 HydrophobicContact CG-CD1 4.28Å
31K81.6Confident74.6Confident100 Ų10075.4 Ų75.444%0.43543%0.425SS..Hα-helixtrans-65.9-50.8177.5179.6174.9173.3-176.50111.5L27 A28 T33 A34 E35 L81L27-K31 WeakPolarHBondContact O-CB 3.32Å; L27-K31 PolarHBondContact O-N 2.77Å; A28-K31 PolarHBondContact O-N 3.14Å; K31-T33 VanDerWaalsContact C-N 3.26Å; K31-T33 PolarHBondContact O-N 3.29Å; K31-A34 PolarHBondContact O-N 3.21Å; K31-E35 WeakPolarHBondContact CE-OE1 3.5Å; K31-E35 IonicContact NZ-OE1 2.67Å; K31-E35 WeakPolarHBondContact O-CB 3.37Å; K31-E35 WeakPolarHBondContact O-CG 3.31Å; K31-E35 PolarHBondContact O-N 2.89Å; K31-L81 HydrophobicContact CB-CD1 4.11Å; K31-L81 HydrophobicContact CB-CD2 4.44Å; K31-L81 HydrophobicContact CG-CD2 4.3Å
32T82Confident75.3Confident90 Ų9076.4 Ų76.455%0.55243%0.427SS*.Hα-helixtrans-58-39.2-179.7-56.70000111.7A28 E35 A36A28-T32 PolarHBondContact O-N 2.9Å; A28-T32 PolarHBondContact O-OG1 2.82Å; T32-E35 PolarHBondContact O-N 2.88Å; T32-A36 PolarHBondContact O-N 3.41Å; T32-A36 VanDerWaalsContact O-N 3.11Å
33T79.2Confident76.6Confident31 Ų3173 Ų7319%0.1940%0.398CS..Hα-helixtrans-80.1-33.8179.257.70000113.4I18 K29 L30 K31 E35 A36 I37I18-T33 HydrophobicContact CD1-CG2 3.34Å; I18-T33 WeakPolarHBondContact CD1-OG1 3.28Å; K29-T33 PolarHBondContact O-N 3.46Å; K29-T33 PolarHBondContact O-OG1 3.16Å; K29-T33 VanDerWaalsContact O-OG1 3.05Å; L30-T33 PolarHBondContact O-OG1 3.05Å; K31-T33 VanDerWaalsContact C-N 3.26Å; K31-T33 PolarHBondContact O-N 3.29Å; T33-E35 VanDerWaalsContact C-N 3.26Å; T33-E35 PolarHBondContact O-N 3.17Å; T33-A36 PolarHBondContact O-N 3.04Å; T33-I37 WeakPolarHBondContact O-CD1 3.41Å; T33-I37 VanDerWaalsContact O-CG1 3.28Å; T33-I37 WeakPolarHBondContact O-CG1 3.3Å; T33-I37 PolarHBondContact O-N 3.47Å; T33-I37 VanDerWaalsContact O-N 3.17Å
34A78.6Confident78Confident6 Ų670.9 Ų70.95%0.0538%0.383CS..Hα-helixtrans-62.5-32.9167.900000112.6L30 K31 K42 I46 L81L30-A34 WeakPolarHBondContact O-CB 3.47Å; L30-A34 PolarHBondContact O-N 3.4Å; K31-A34 PolarHBondContact O-N 3.21Å; A34-K42 WeakPolarHBondContact O-CD 3.27Å; A34-K42 PolarHBondContact O-NZ 3.17Å; A34-I46 HydrophobicContact CB-CD1 3.81Å; A34-L81 HydrophobicContact CB-CD2 4.15Å
35E79.8Confident79.3Confident120 Ų12070.3 Ų70.356%0.56137%0.371SS*.Hα-helixtrans-67.5-45.5172.9-75.6171.6177.800111K31 T32 T33 I37 K42K31-E35 WeakPolarHBondContact CE-OE1 3.5Å; K31-E35 IonicContact NZ-OE1 2.67Å; K31-E35 WeakPolarHBondContact O-CB 3.37Å; K31-E35 WeakPolarHBondContact O-CG 3.31Å; K31-E35 PolarHBondContact O-N 2.89Å; T32-E35 PolarHBondContact O-N 2.88Å; T33-E35 VanDerWaalsContact C-N 3.26Å; T33-E35 PolarHBondContact O-N 3.17Å; E35-I37 VanDerWaalsContact C-N 3.34Å; E35-I37 PolarHBondContact O-N 3.15Å; E35-K42 PolarHBondContact O-NZ 3.3Å; E35-K42 VanDerWaalsContact O-NZ 3.09Å
36A78.3Confident80.4Confident78 Ų7869.3 Ų69.365%0.64537%0.367SS*.Hα-helixtrans-66.7-22.5-179.700000115.9T32 T33 E38T32-A36 PolarHBondContact O-N 3.41Å; T32-A36 VanDerWaalsContact O-N 3.11Å; T33-A36 PolarHBondContact O-N 3.04Å; A36-E38 PolarHBondContact O-N 2.88Å
37I77.4Confident81.2Confident15 Ų1568 Ų688%0.07736%0.356CS..  trans-78113-177.9-72.5163.7000111I15 T33 E35 L39 K42I15-I37 HydrophobicContact CD1-CD1 3.54Å; I15-I37 HydrophobicContact CG1-CD1 3.72Å; T33-I37 WeakPolarHBondContact O-CD1 3.41Å; T33-I37 VanDerWaalsContact O-CG1 3.28Å; T33-I37 WeakPolarHBondContact O-CG1 3.3Å; T33-I37 PolarHBondContact O-N 3.47Å; T33-I37 VanDerWaalsContact O-N 3.17Å; E35-I37 VanDerWaalsContact C-N 3.34Å; E35-I37 PolarHBondContact O-N 3.15Å; I37-L39 HydrophobicContact CG2-CB 3.83Å; I37-L39 HydrophobicContact CG2-CD1 3.6Å; I37-L39 HydrophobicContact CG2-CG 3.63Å; I37-L39 PolarHBondContact O-N 3.37Å; I37-K42 VanDerWaalsContact O-CD 3.3Å; I37-K42 WeakPolarHBondContact O-CD 3.32Å; I37-K42 WeakPolarHBondContact O-CE 3.34Å; I37-K42 PolarHBondContact O-NZ 2.92Å
38E70.6Confident81.8Confident196 Ų19669.2 Ų69.292%0.91637%0.366SS*.  trans-80.840-179.2-62.5-166.9156.200114.7A36A36-E38 PolarHBondContact O-N 2.88Å
39L75.1Confident82.3Confident49 Ų4966.3 Ų66.326%0.25734%0.342SS..  trans-97.8146.7178.2-63.5172.4000112.1A8 I37 K42 L45A8-L39 HydrophobicContact CB-CD1 4.29Å; I37-L39 HydrophobicContact CG2-CB 3.83Å; I37-L39 HydrophobicContact CG2-CD1 3.6Å; I37-L39 HydrophobicContact CG2-CG 3.63Å; I37-L39 PolarHBondContact O-N 3.37Å; L39-K42 WeakPolarHBondContact O-CG 3.43Å; L39-L45 HydrophobicContact CD1-CD2 3.81Å
40K73.5Confident82.9Confident223 Ų22362.7 Ų62.797%0.9733%0.326SS*.SBendtrans-68.2-33176-71.5-171.2176.9-175.70113.2
41D81.3Confident83.4Confident94 Ų9467 Ų6750%0.50334%0.342SS..  trans-119.471.3-179.5-17311.1000110.7K43 S44D41-K43 PolarHBondContact O-N 3.48Å; D41-S44 PolarHBondContact OD1-N 2.67Å; D41-S44 PolarHBondContact OD1-OG 3.24Å; D41-S44 VanDerWaalsContact OD2-CB 3.24Å; D41-S44 WeakPolarHBondContact OD2-CB 3.33Å; D41-S44 PolarHBondContact OD2-OG 3.03Å
42K84.7Confident83.9Confident66 Ų6663.1 Ų63.129%0.28733%0.331SS..Hα-helixtrans-69.3-25.5177.2-42.4-164.7-162.6-162.70112.4A34 E35 I37 L39 L45 I46A34-K42 WeakPolarHBondContact O-CD 3.27Å; A34-K42 PolarHBondContact O-NZ 3.17Å; E35-K42 PolarHBondContact O-NZ 3.3Å; E35-K42 VanDerWaalsContact O-NZ 3.09Å; I37-K42 VanDerWaalsContact O-CD 3.3Å; I37-K42 WeakPolarHBondContact O-CD 3.32Å; I37-K42 WeakPolarHBondContact O-CE 3.34Å; I37-K42 PolarHBondContact O-NZ 2.92Å; L39-K42 WeakPolarHBondContact O-CG 3.43Å; K42-L45 WeakPolarHBondContact O-CB 3.45Å; K42-I46 WeakPolarHBondContact O-CG1 3.43Å; K42-I46 PolarHBondContact O-N 3.41Å
43K88Confident84.3Confident65 Ų6559.9 Ų59.928%0.28331%0.308SS..Hα-helixtrans-72.4-50.9-172.4-67.3-167167.9-145.90111.8D41 L45 I46 D47 N80 C82D41-K43 PolarHBondContact O-N 3.48Å; K43-L45 PolarHBondContact O-N 3.5Å; K43-I46 PolarHBondContact O-N 2.98Å; K43-I46 VanDerWaalsContact O-N 3.1Å; K43-D47 PolarHBondContact O-N 3.21Å; K43-D47 VanDerWaalsContact O-OD2 3.12Å; K43-N80 WeakPolarHBondContact CE-O 3.47Å; K43-N80 PolarHBondContact NZ-O 2.86Å; K43-N80 PolarHBondContact NZ-OD1 3.38Å; K43-C82 PolarHBondContact NZ-O 3.36Å
44S87.4Confident85Confident46 Ų4658.4 Ų58.432%0.32230%0.299SS..Hα-helixtrans-61-34.4179.1680000112D41 D47 V48D41-S44 PolarHBondContact OD1-N 2.67Å; D41-S44 PolarHBondContact OD1-OG 3.24Å; D41-S44 VanDerWaalsContact OD2-CB 3.24Å; D41-S44 WeakPolarHBondContact OD2-CB 3.33Å; D41-S44 PolarHBondContact OD2-OG 3.03Å; S44-D47 PolarHBondContact O-N 2.9Å; S44-V48 VanDerWaalsContact O-CG2 3.31Å; S44-V48 WeakPolarHBondContact O-CG2 3.19Å; S44-V48 PolarHBondContact O-N 3.28Å
45L87.9Confident85.6Confident25 Ų2562.8 Ų62.813%0.13132%0.321CS..Hα-helixtrans-59.4-47.8174-160.569.2000111.9F12 I15 L39 K42 K43 A49F12-L45 HydrophobicContact CB-CD1 3.87Å; F12-L45 HydrophobicContact CB-CG 4.49Å; F12-L45 HydrophobicContact CD2-CD1 3.81Å; F12-L45 HydrophobicContact CD2-CG 4.22Å; F12-L45 HydrophobicContact CG-CD1 4.28Å; I15-L45 HydrophobicContact CD1-CB 4.42Å; I15-L45 HydrophobicContact CD1-CD2 3.6Å; I15-L45 HydrophobicContact CD1-CG 3.88Å; L39-L45 HydrophobicContact CD1-CD2 3.81Å; K42-L45 WeakPolarHBondContact O-CB 3.45Å; K43-L45 PolarHBondContact O-N 3.5Å; L45-A49 WeakPolarHBondContact O-CB 3.46Å; L45-A49 PolarHBondContact O-N 3.39Å
46I88.7Confident86.1Confident1 Ų161.9 Ų61.91%0.00531%0.313CS..Hα-helixtrans-68.7-38.9176.7-66.7166.7000110.8I15 A34 K42 K43 V48 A49 L50 L81 C82I15-I46 HydrophobicContact CD1-CG1 3.83Å; I15-I46 HydrophobicContact CG2-CG1 4.48Å; A34-I46 HydrophobicContact CB-CD1 3.81Å; K42-I46 WeakPolarHBondContact O-CG1 3.43Å; K42-I46 PolarHBondContact O-N 3.41Å; K43-I46 PolarHBondContact O-N 2.98Å; K43-I46 VanDerWaalsContact O-N 3.1Å; I46-V48 PolarHBondContact O-N 3.01Å; I46-A49 PolarHBondContact O-N 2.74Å; I46-L50 HydrophobicContact CG2-CD1 3.84Å; I46-L50 HydrophobicContact CG2-CG 4.17Å; I46-L50 WeakPolarHBondContact O-CB 3.4Å; I46-L50 VanDerWaalsContact O-CG 3.28Å; I46-L50 WeakPolarHBondContact O-CG 3.47Å; I46-L50 PolarHBondContact O-N 2.94Å; I46-L81 HydrophobicContact CD1-CB 4.46Å; I46-L81 WeakPolarHBondContact CD1-O 3.5Å; I46-C82 HydrophobicContact CG2-CB 3.85Å
47D91.1Very high86.7Confident20 Ų2059 Ų5911%0.10729%0.286CS..Hα-helixtrans-59.5-47176.4-62.2-37.9000111.5K43 S44 R51 C82 S83 T86K43-D47 PolarHBondContact O-N 3.21Å; K43-D47 VanDerWaalsContact O-OD2 3.12Å; S44-D47 PolarHBondContact O-N 2.9Å; D47-R51 WeakPolarHBondContact O-CG 3.43Å; D47-R51 PolarHBondContact O-N 3.02Å; D47-C82 VanDerWaalsContact OD1-CB 3.29Å; D47-C82 WeakPolarHBondContact OD1-CB 3.42Å; D47-S83 PolarHBondContact OD1-N 3.34Å; D47-S83 WeakPolarHBondContact OD2-CB 3.35Å; D47-S83 PolarHBondContact OD2-OG 3.37Å; D47-T86 HydrophobicContact CB-CG2 4.38Å; D47-T86 WeakPolarHBondContact OD1-CB 3.39Å; D47-T86 WeakPolarHBondContact OD1-CG2 3.28Å; D47-T86 PolarHBondContact OD1-OG1 2.88Å
48V91.3Very high87.4Confident88 Ų8858.6 Ų58.653%0.53329%0.285SS..Hα-helixtrans-66.3-40177.1174.10000111F12 S44 I46 G52F12-V48 HydrophobicContact CE2-CB 4.26Å; F12-V48 HydrophobicContact CE2-CG1 3.81Å; F12-V48 HydrophobicContact CZ-CG1 4.04Å; S44-V48 VanDerWaalsContact O-CG2 3.31Å; S44-V48 WeakPolarHBondContact O-CG2 3.19Å; S44-V48 PolarHBondContact O-N 3.28Å; I46-V48 PolarHBondContact O-N 3.01Å; V48-G52 PolarHBondContact O-N 2.98Å
49A90.6Very high88.3Confident2 Ų253.6 Ų53.62%0.01728%0.276CS..Hα-helixtrans-66.6-43.317900000112.2F12 I15 L19 L45 I46 G52 R53F12-A49 HydrophobicContact CD2-CB 4.34Å; F12-A49 HydrophobicContact CE2-CB 3.81Å; I15-A49 HydrophobicContact CB-CB 4.42Å; I15-A49 HydrophobicContact CG2-CB 3.57Å; L19-A49 HydrophobicContact CD1-CB 3.71Å; L45-A49 WeakPolarHBondContact O-CB 3.46Å; L45-A49 PolarHBondContact O-N 3.39Å; I46-A49 PolarHBondContact O-N 2.74Å; A49-G52 PolarHBondContact O-N 3.32Å; A49-R53 PolarHBondContact O-N 3.29Å
50L91.9Very high89Confident0 Ų054.9 Ų54.90%029%0.29CS..Hα-helixtrans-60.9-48.6174.7-74.1171.8000111.7L19 I46 G52 R53 M54 L69 C82 T86 L90L19-L50 HydrophobicContact CD1-CD2 4.11Å; L19-L50 HydrophobicContact CD1-CG 4.39Å; L19-L50 HydrophobicContact CD2-CD2 3.96Å; I46-L50 HydrophobicContact CG2-CD1 3.84Å; I46-L50 HydrophobicContact CG2-CG 4.17Å; I46-L50 WeakPolarHBondContact O-CB 3.4Å; I46-L50 VanDerWaalsContact O-CG 3.28Å; I46-L50 WeakPolarHBondContact O-CG 3.47Å; I46-L50 PolarHBondContact O-N 2.94Å; L50-G52 VanDerWaalsContact C-N 3.34Å; L50-G52 PolarHBondContact O-N 2.95Å; L50-R53 PolarHBondContact O-N 3.1Å; L50-M54 PolarHBondContact O-N 3.05Å; L50-L69 HydrophobicContact CD2-CD1 3.77Å; L50-C82 HydrophobicContact CD1-CB 4.25Å; L50-T86 HydrophobicContact CD1-CG2 4.15Å; L50-L90 HydrophobicContact CB-CD1 4.47Å; L50-L90 HydrophobicContact CB-CD2 4.39Å
51R93Very high89.5Confident92 Ų9249.1 Ų49.135%0.34727%0.27SS..Hα-helixtrans-66.1-36.9177.3-68.7-173.476.1-159.41.7112.1D47 M54 L55 L90 D93D47-R51 WeakPolarHBondContact O-CG 3.43Å; D47-R51 PolarHBondContact O-N 3.02Å; R51-M54 WeakPolarHBondContact O-CB 3.43Å; R51-M54 PolarHBondContact O-N 3.35Å; R51-L55 WeakPolarHBondContact O-CG 3.36Å; R51-L55 PolarHBondContact O-N 3.23Å; R51-L90 HydrophobicContact CB-CD2 4.49Å; R51-L90 HydrophobicContact CG-CD2 3.84Å; R51-D93 IonicContact CZ-OD1 3.65Å; R51-D93 IonicContact CZ-OD2 2.94Å; R51-D93 IonicContact NE-OD1 3.84Å; R51-D93 IonicContact NE-OD2 3.14Å; R51-D93 PolarHBondContact NE-OD2 3.08Å; R51-D93 IonicContact NH2-OD1 3.01Å; R51-D93 PolarHBondContact NH2-OD1 3.4Å; R51-D93 IonicContact NH2-OD2 3.15Å; R51-D93 PolarHBondContact NH2-OD2 3.41Å
52G91.9Very high89.7Confident19 Ų1946.4 Ų46.420%0.19626%0.258CS..Hα-helixtrans-58.6-4717300000112.3V48 A49 L50 R56V48-G52 PolarHBondContact O-N 2.98Å; A49-G52 PolarHBondContact O-N 3.32Å; L50-G52 VanDerWaalsContact C-N 3.34Å; L50-G52 PolarHBondContact O-N 2.95Å; G52-R56 PolarHBondContact O-N 3.47Å; G52-R56 PolarHBondContact O-NH1 3.27Å
53R90.2Very high89.8Confident22 Ų2244.3 Ų44.38%0.08325%0.249CC..Hα-helixtrans-65-42.1174.3-177175.1171.4-162.2-5.1111.8L19 A49 L50 L55 R56 L57 L69L19-R53 WeakPolarHBondContact O-CD 3.33Å; L19-R53 PolarHBondContact O-NE 3.42Å; L19-R53 VanDerWaalsContact O-NE 3.08Å; L19-R53 PolarHBondContact O-NH1 3.24Å; A49-R53 PolarHBondContact O-N 3.29Å; L50-R53 PolarHBondContact O-N 3.1Å; R53-L55 VanDerWaalsContact C-N 3.32Å; R53-L55 PolarHBondContact O-N 2.94Å; R53-R56 PolarHBondContact O-N 3.46Å; R53-L57 HydrophobicContact CG-CD1 4.06Å; R53-L57 HydrophobicContact CG-CG 4.14Å; R53-L57 WeakPolarHBondContact O-CG 3.38Å; R53-L57 PolarHBondContact O-N 3.36Å; R53-L69 HydrophobicContact CB-CD2 4.11Å; R53-L69 HydrophobicContact CG-CD2 3.97Å
54M93.1Very high89.8Confident0 Ų046.6 Ų46.60%026%0.264CS..Hα-helixtrans-54.5-48.2177.3-178.456.380.100111.5L50 R51 R56 L57 L58 V66 L69 L70 L90 D93 V94L50-M54 PolarHBondContact O-N 3.05Å; R51-M54 WeakPolarHBondContact O-CB 3.43Å; R51-M54 PolarHBondContact O-N 3.35Å; M54-R56 VanDerWaalsContact C-N 3.3Å; M54-R56 PolarHBondContact O-N 3.06Å; M54-L57 PolarHBondContact O-N 3.28Å; M54-L58 HydrophobicContact CG-CD1 3.78Å; M54-L58 HydrophobicContact CG-CG 4.28Å; M54-L58 WeakPolarHBondContact O-CB 3.42Å; M54-L58 VanDerWaalsContact O-CG 3.23Å; M54-L58 WeakPolarHBondContact O-CG 3.26Å; M54-L58 PolarHBondContact O-N 3.3Å; M54-L58 HydrophobicContact SD-CD1 4.03Å; M54-L58 HydrophobicContact SD-CD2 4.42Å; M54-L58 HydrophobicContact SD-CG 3.97Å; M54-V66 HydrophobicContact CE-CG1 4.12Å; M54-V66 HydrophobicContact SD-CB 4.49Å; M54-V66 HydrophobicContact SD-CG1 3.94Å; M54-V66 HydrophobicContact SD-CG2 4.08Å; M54-L69 HydrophobicContact CB-CD2 3.89Å; M54-L69 HydrophobicContact CE-CB 4.43Å; M54-L69 HydrophobicContact CE-CD2 3.96Å; M54-L69 HydrophobicContact CE-CG 4.27Å; M54-L69 HydrophobicContact SD-CD2 4.4Å; M54-L70 HydrophobicContact CE-CD2 3.81Å; M54-L70 HydrophobicContact CE-CG 3.79Å; M54-L90 HydrophobicContact CB-CD2 3.72Å; M54-L90 HydrophobicContact CE-CB 4.03Å; M54-L90 HydrophobicContact CE-CD2 4.18Å; M54-L90 HydrophobicContact CG-CD2 4.06Å; M54-D93 HydrophobicContact CG-CB 4.22Å; M54-V94 HydrophobicContact CE-CG2 4.06Å; M54-V94 HydrophobicContact SD-CG2 3.79Å
55L91.6Very high89.9Confident97 Ų9747.5 Ų47.551%0.50827%0.266SS..Hα-helixtrans-60.6-35.6177-68.8171.4000113.2R51 R53 A59R51-L55 WeakPolarHBondContact O-CG 3.36Å; R51-L55 PolarHBondContact O-N 3.23Å; R53-L55 VanDerWaalsContact C-N 3.32Å; R53-L55 PolarHBondContact O-N 2.94Å; L55-A59 WeakPolarHBondContact O-CB 3.46Å; L55-A59 PolarHBondContact O-N 2.97Å; L55-A59 VanDerWaalsContact O-N 3.09Å
56R90.5Very high90.1Very high101 Ų10146.3 Ų46.338%0.38126%0.259SS..Hα-helixtrans-69.3-43.9175.4-71.7-171.2-69-70.22.5112.4E20 G52 R53 M54 A59 S60E20-R56 IonicContact OE1-CZ 3.57Å; E20-R56 IonicContact OE1-NE 3.39Å; E20-R56 PolarHBondContact OE1-NE 3.13Å; E20-R56 IonicContact OE1-NH2 3.44Å; E20-R56 PolarHBondContact OE1-NH2 2.8Å; G52-R56 PolarHBondContact O-N 3.47Å; G52-R56 PolarHBondContact O-NH1 3.27Å; R53-R56 PolarHBondContact O-N 3.46Å; M54-R56 VanDerWaalsContact C-N 3.3Å; M54-R56 PolarHBondContact O-N 3.06Å; R56-A59 PolarHBondContact O-N 3.04Å; R56-S60 PolarHBondContact O-N 3.14Å; R56-S60 PolarHBondContact O-OG 3.37Å
57L91.2Very high90.2Very high18 Ų1848.4 Ų48.49%0.09427%0.268CS..Hα-helixtrans-65.8-37.4176.2-64.1176.8000112.4R53 M54 A59 S60 D61 S62 D65 V66 L69R53-L57 HydrophobicContact CG-CD1 4.06Å; R53-L57 HydrophobicContact CG-CG 4.14Å; R53-L57 WeakPolarHBondContact O-CG 3.38Å; R53-L57 PolarHBondContact O-N 3.36Å; M54-L57 PolarHBondContact O-N 3.28Å; L57-A59 VanDerWaalsContact C-N 3.29Å; L57-A59 PolarHBondContact O-N 2.85Å; L57-S60 PolarHBondContact O-N 2.77Å; L57-S60 PolarHBondContact O-OG 2.95Å; L57-D61 PolarHBondContact O-N 2.99Å; L57-D61 VanDerWaalsContact O-N 3.11Å; L57-S62 PolarHBondContact O-N 3.04Å; L57-D65 HydrophobicContact CD1-CB 3.82Å; L57-D65 HydrophobicContact CD2-CB 3.65Å; L57-D65 HydrophobicContact CG-CB 4.28Å; L57-V66 HydrophobicContact CB-CG2 3.76Å; L57-L69 HydrophobicContact CD1-CB 4.1Å; L57-L69 HydrophobicContact CD1-CD2 3.77Å
58L91.1Very high90.1Very high7 Ų750.7 Ų50.74%0.03728%0.283CS..Hα-helixtrans-65.2-33.8173.9-70.5171000111.9M54 V66 D93 V94 T97 K98M54-L58 HydrophobicContact CG-CD1 3.78Å; M54-L58 HydrophobicContact CG-CG 4.28Å; M54-L58 WeakPolarHBondContact O-CB 3.42Å; M54-L58 VanDerWaalsContact O-CG 3.23Å; M54-L58 WeakPolarHBondContact O-CG 3.26Å; M54-L58 PolarHBondContact O-N 3.3Å; M54-L58 HydrophobicContact SD-CD1 4.03Å; M54-L58 HydrophobicContact SD-CD2 4.42Å; M54-L58 HydrophobicContact SD-CG 3.97Å; L58-V66 HydrophobicContact CD2-CG2 4.17Å; L58-D93 HydrophobicContact CD1-CB 4.35Å; L58-V94 HydrophobicContact CD2-CB 4.34Å; L58-V94 HydrophobicContact CD2-CG1 4.34Å; L58-V94 HydrophobicContact CD2-CG2 4.11Å; L58-T97 HydrophobicContact CB-CG2 4.22Å; L58-K98 HydrophobicContact CD2-CD 4.26Å; L58-K98 VanDerWaalsContact CD2-CE 3.46Å; L58-K98 HydrophobicContact CD2-CG 4.03Å; L58-K98 PolarHBondContact O-NZ 3.01Å
59A90.9Very high90.1Very high90 Ų9046.5 Ų46.574%0.74426%0.258SS*.Hα-helixtrans-75.2-29.3174.700000113.6L55 R56 L57L55-A59 WeakPolarHBondContact O-CB 3.46Å; L55-A59 PolarHBondContact O-N 2.97Å; L55-A59 VanDerWaalsContact O-N 3.09Å; R56-A59 PolarHBondContact O-N 3.04Å; L57-A59 VanDerWaalsContact C-N 3.29Å; L57-A59 PolarHBondContact O-N 2.85Å
60S88.5Confident90.2Very high77 Ų7746.5 Ų46.554%0.53826%0.258SS..THydrogen-bonded Turntrans-90.83.6176.872.60000114.5R56 L57 S62R56-S60 PolarHBondContact O-N 3.14Å; R56-S60 PolarHBondContact O-OG 3.37Å; L57-S60 PolarHBondContact O-N 2.77Å; L57-S60 PolarHBondContact O-OG 2.95Å; S60-S62 PolarHBondContact O-N 3.17Å; S60-S62 VanDerWaalsContact O-N 3.08Å
61D84.8Confident90.1Very high102 Ų10252.6 Ų52.655%0.54528%0.284SS..THydrogen-bonded Turntrans54.919.9-179.9-142.120.6000116.5L57 M63 K98L57-D61 PolarHBondContact O-N 2.99Å; L57-D61 VanDerWaalsContact O-N 3.11Å; D61-M63 PolarHBondContact O-N 2.93Å; D61-K98 IonicContact OD1-NZ 3.56Å; D61-K98 PolarHBondContact OD1-NZ 3.29Å
62S86.3Confident89.8Confident36 Ų3649.4 Ų49.425%0.25227%0.273SS..  trans-81.188.7178.4-174.20000111.3L57 S60 D64 D65 V66L57-S62 PolarHBondContact O-N 3.04Å; S60-S62 PolarHBondContact O-N 3.17Å; S60-S62 VanDerWaalsContact O-N 3.08Å; S62-D64 PolarHBondContact O-N 3.33Å; S62-D65 WeakPolarHBondContact CB-OD2 3.49Å; S62-D65 PolarHBondContact O-N 3.02Å; S62-D65 WeakPolarHBondContact OG-CB 3.11Å; S62-D65 VanDerWaalsContact OG-CG 3.31Å; S62-D65 PolarHBondContact OG-OD2 3.43Å; S62-V66 WeakPolarHBondContact O-CG2 3.4Å; S62-V66 PolarHBondContact O-N 2.85Å; S62-V66 VanDerWaalsContact O-N 3.11Å
63M86.6Confident89.7Confident23 Ų2348.5 Ų48.511%0.11326%0.264CS..Hα-helixtrans-72.4-26-173.5-68.5-56.3-61.800114.2D61 V66 K67 L102 M106D61-M63 PolarHBondContact O-N 2.93Å; M63-V66 HydrophobicContact CE-CG1 4.29Å; M63-V66 WeakPolarHBondContact O-CB 3.28Å; M63-V66 PolarHBondContact O-N 2.91Å; M63-V66 HydrophobicContact SD-CB 4.49Å; M63-V66 HydrophobicContact SD-CG2 4.37Å; M63-K67 WeakPolarHBondContact O-CG 3.22Å; M63-K67 PolarHBondContact O-N 3.23Å; M63-L102 HydrophobicContact CE-CD1 4.09Å; M63-L102 HydrophobicContact CE-CD2 3.98Å; M63-L102 HydrophobicContact CE-CG 3.99Å; M63-L102 HydrophobicContact CG-CD1 4.22Å; M63-L102 HydrophobicContact CG-CD2 4Å; M63-L102 HydrophobicContact SD-CD2 3.76Å; M63-L102 HydrophobicContact SD-CG 4.42Å; M63-M106 HydrophobicContact CE-CE 4.1Å; M63-M106 HydrophobicContact CE-CG 3.47Å; M63-M106 VanDerWaalsContact CE-CG 3.47Å; M63-M106 HydrophobicContact CE-SD 3.35Å; M63-M106 WeakPolarHBondContact CE-SD 3.4Å
64D88Confident89.6Confident112 Ų11248.1 Ų48.160%0.59926%0.264SS*.Hα-helixtrans-75-33.4175.1-66.3-41.2000112.4S62 K67 T68S62-D64 PolarHBondContact O-N 3.33Å; D64-K67 PolarHBondContact O-N 2.92Å; D64-K67 IonicContact OD1-NZ 2.78Å; D64-T68 WeakPolarHBondContact O-CB 3.32Å; D64-T68 PolarHBondContact O-N 3.24Å; D64-T68 PolarHBondContact O-OG1 3.41Å
65D88.6Confident89.4Confident65 Ų6549.5 Ų49.535%0.34828%0.276SS..Hα-helixtrans-66.7-37.7168.5-73.8-50000111.5L57 S62 T68 L69L57-D65 HydrophobicContact CD1-CB 3.82Å; L57-D65 HydrophobicContact CD2-CB 3.65Å; L57-D65 HydrophobicContact CG-CB 4.28Å; S62-D65 WeakPolarHBondContact CB-OD2 3.49Å; S62-D65 PolarHBondContact O-N 3.02Å; S62-D65 WeakPolarHBondContact OG-CB 3.11Å; S62-D65 VanDerWaalsContact OG-CG 3.31Å; S62-D65 PolarHBondContact OG-OD2 3.43Å; D65-T68 PolarHBondContact O-N 2.66Å; D65-L69 WeakPolarHBondContact O-CB 3.5Å; D65-L69 PolarHBondContact O-N 2.8Å
66V91.2Very high89.2Confident0 Ų044.9 Ų44.90%025%0.252CS..Hα-helixtrans-61.1-49.1173.1167.50000110.7M54 L57 L58 S62 M63 T68 L69 L70 V94M54-V66 HydrophobicContact CE-CG1 4.12Å; M54-V66 HydrophobicContact SD-CB 4.49Å; M54-V66 HydrophobicContact SD-CG1 3.94Å; M54-V66 HydrophobicContact SD-CG2 4.08Å; L57-V66 HydrophobicContact CB-CG2 3.76Å; L58-V66 HydrophobicContact CD2-CG2 4.17Å; S62-V66 WeakPolarHBondContact O-CG2 3.4Å; S62-V66 PolarHBondContact O-N 2.85Å; S62-V66 VanDerWaalsContact O-N 3.11Å; M63-V66 HydrophobicContact CE-CG1 4.29Å; M63-V66 WeakPolarHBondContact O-CB 3.28Å; M63-V66 PolarHBondContact O-N 2.91Å; M63-V66 HydrophobicContact SD-CB 4.49Å; M63-V66 HydrophobicContact SD-CG2 4.37Å; V66-T68 VanDerWaalsContact C-N 3.28Å; V66-T68 PolarHBondContact O-N 3.44Å; V66-L69 PolarHBondContact O-N 3.31Å; V66-L70 HydrophobicContact CG1-CD1 3.87Å; V66-L70 HydrophobicContact CG1-CG 4.49Å; V66-L70 WeakPolarHBondContact O-CB 3.43Å; V66-L70 VanDerWaalsContact O-CG 3.27Å; V66-L70 WeakPolarHBondContact O-CG 3.15Å; V66-L70 PolarHBondContact O-N 3.45Å; V66-V94 HydrophobicContact CG1-CG2 3.67Å
67K91.2Very high89.1Confident45 Ų4540.6 Ų40.620%0.19624%0.237CC..Hα-helixtrans-56.6-42.5174.5-72.2166.6-174.8168.30111.2M63 D64 L70 K71 E105 M106 F109M63-K67 WeakPolarHBondContact O-CG 3.22Å; M63-K67 PolarHBondContact O-N 3.23Å; D64-K67 PolarHBondContact O-N 2.92Å; D64-K67 IonicContact OD1-NZ 2.78Å; K67-L70 PolarHBondContact O-N 3.28Å; K67-K71 WeakPolarHBondContact O-CG 3.43Å; K67-K71 PolarHBondContact O-N 2.92Å; K67-K71 VanDerWaalsContact O-N 3.1Å; K67-E105 IonicContact NZ-OE1 3.16Å; K67-E105 PolarHBondContact NZ-OE1 3.19Å; K67-M106 HydrophobicContact CG-SD 4.23Å; K67-F109 HydrophobicContact CB-CE1 4.3Å; K67-F109 HydrophobicContact CB-CZ 4.34Å; K67-F109 HydrophobicContact CG-CD1 4.19Å; K67-F109 HydrophobicContact CG-CE1 4.25Å; K67-F109 HydrophobicContact CG-CG 4.48Å
68T90Very high88.8Confident68 Ų6844.2 Ų44.242%0.41726%0.256SS..Hα-helixtrans-66.9-42.8178.1-58.80000112.4F25 D64 D65 V66 K71 M72F25-T68 HydrophobicContact CE1-CG2 3.95Å; F25-T68 HydrophobicContact CZ-CG2 4.17Å; D64-T68 WeakPolarHBondContact O-CB 3.32Å; D64-T68 PolarHBondContact O-N 3.24Å; D64-T68 PolarHBondContact O-OG1 3.41Å; D65-T68 PolarHBondContact O-N 2.66Å; V66-T68 VanDerWaalsContact C-N 3.28Å; V66-T68 PolarHBondContact O-N 3.44Å; T68-K71 PolarHBondContact O-N 3.46Å; T68-M72 PolarHBondContact O-N 2.89Å
69L91.2Very high88.6Confident0 Ų045.9 Ų45.90%027%0.272CS..Hα-helixtrans-66.4-36.3176.3-175.662.9000112.1F25 L50 R53 M54 L57 D65 V66 M72 G73F25-L69 HydrophobicContact CE2-CD1 3.98Å; F25-L69 HydrophobicContact CZ-CD1 4.18Å; L50-L69 HydrophobicContact CD2-CD1 3.77Å; R53-L69 HydrophobicContact CB-CD2 4.11Å; R53-L69 HydrophobicContact CG-CD2 3.97Å; M54-L69 HydrophobicContact CB-CD2 3.89Å; M54-L69 HydrophobicContact CE-CB 4.43Å; M54-L69 HydrophobicContact CE-CD2 3.96Å; M54-L69 HydrophobicContact CE-CG 4.27Å; M54-L69 HydrophobicContact SD-CD2 4.4Å; L57-L69 HydrophobicContact CD1-CB 4.1Å; L57-L69 HydrophobicContact CD1-CD2 3.77Å; D65-L69 WeakPolarHBondContact O-CB 3.5Å; D65-L69 PolarHBondContact O-N 2.8Å; V66-L69 PolarHBondContact O-N 3.31Å; L69-M72 PolarHBondContact O-N 2.85Å; L69-G73 PolarHBondContact O-N 3.36Å
70L91.7Very high88.4Confident2 Ų247 Ų471%0.0127%0.265CS..Hα-helixtrans-63.2-46.6173.8-72.8163.6000111.4M54 V66 K67 M72 G73 V74 L90 F91 V94 F109M54-L70 HydrophobicContact CE-CD2 3.81Å; M54-L70 HydrophobicContact CE-CG 3.79Å; V66-L70 HydrophobicContact CG1-CD1 3.87Å; V66-L70 HydrophobicContact CG1-CG 4.49Å; V66-L70 WeakPolarHBondContact O-CB 3.43Å; V66-L70 VanDerWaalsContact O-CG 3.27Å; V66-L70 WeakPolarHBondContact O-CG 3.15Å; V66-L70 PolarHBondContact O-N 3.45Å; K67-L70 PolarHBondContact O-N 3.28Å; L70-M72 VanDerWaalsContact C-N 3.33Å; L70-M72 PolarHBondContact O-N 3.39Å; L70-G73 PolarHBondContact O-N 3.15Å; L70-V74 WeakPolarHBondContact O-CG2 3.48Å; L70-V74 PolarHBondContact O-N 3.26Å; L70-L90 HydrophobicContact CD2-CB 3.72Å; L70-F91 HydrophobicContact CB-CZ 4.32Å; L70-F91 HydrophobicContact CD1-CD1 4.01Å; L70-F91 HydrophobicContact CD1-CE1 3.67Å; L70-F91 HydrophobicContact CD1-CZ 4.23Å; L70-F91 HydrophobicContact CD2-CD1 3.86Å; L70-F91 HydrophobicContact CD2-CD2 4.01Å; L70-F91 HydrophobicContact CD2-CE1 3.96Å; L70-F91 HydrophobicContact CD2-CE2 4.09Å; L70-F91 HydrophobicContact CD2-CG 3.88Å; L70-F91 HydrophobicContact CD2-CZ 4.06Å; L70-F91 HydrophobicContact CG-CE1 4.28Å; L70-F91 HydrophobicContact CG-CZ 4.43Å; L70-V94 HydrophobicContact CD1-CG2 4.32Å; L70-F109 HydrophobicContact CB-CE1 3.9Å; L70-F109 HydrophobicContact CB-CZ 4.46Å; L70-F109 HydrophobicContact CD1-CD1 4.23Å; L70-F109 HydrophobicContact CD1-CE1 3.77Å; L70-F109 HydrophobicContact CG-CE1 4.5Å
71K89.6Confident88.2Confident128 Ų12844.3 Ų44.356%0.55725%0.245SC*.Hα-helixtrans-57.4-44.6173.2-69.2178.6-176.8176.60111.5K67 T68 V74 A75 F109K67-K71 WeakPolarHBondContact O-CG 3.43Å; K67-K71 PolarHBondContact O-N 2.92Å; K67-K71 VanDerWaalsContact O-N 3.1Å; T68-K71 PolarHBondContact O-N 3.46Å; K71-V74 PolarHBondContact O-N 3.04Å; K71-A75 WeakPolarHBondContact O-CB 3.36Å; K71-A75 PolarHBondContact O-N 3.04Å; K71-F109 HydrophobicContact CG-CE2 4.42Å; K71-F109 HydrophobicContact CG-CZ 3.92Å
72M87.4Confident88.4Confident25 Ų2539.5 Ų39.512%0.12322%0.219CC..Hα-helixtrans-66.1-40.6176.6-168.168.97400112.4F25 L27 T68 L69 L70 V74 A75 A76F25-M72 HydrophobicContact CD2-CE 3.82Å; F25-M72 HydrophobicContact CD2-CG 4.01Å; F25-M72 HydrophobicContact CE2-CB 3.54Å; F25-M72 HydrophobicContact CE2-CE 3.82Å; F25-M72 HydrophobicContact CE2-CG 3.49Å; F25-M72 VanDerWaalsContact CE2-CG 3.49Å; F25-M72 HydrophobicContact CG-CE 4.32Å; F25-M72 HydrophobicContact CZ-CB 3.93Å; F25-M72 HydrophobicContact CZ-CE 4.25Å; F25-M72 HydrophobicContact CZ-CG 4.32Å; F25-M72 VanDerWaalsContact O-CE 3.23Å; F25-M72 WeakPolarHBondContact O-CE 3.1Å; L27-M72 HydrophobicContact CB-SD 3.84Å; L27-M72 HydrophobicContact CD1-SD 4.11Å; T68-M72 PolarHBondContact O-N 2.89Å; L69-M72 PolarHBondContact O-N 2.85Å; L70-M72 VanDerWaalsContact C-N 3.33Å; L70-M72 PolarHBondContact O-N 3.39Å; M72-V74 VanDerWaalsContact C-N 3.29Å; M72-V74 PolarHBondContact O-N 3.47Å; M72-A75 PolarHBondContact O-N 2.99Å; M72-A75 VanDerWaalsContact O-N 3.16Å; M72-A76 VanDerWaalsContact O-CB 3.28Å; M72-A76 WeakPolarHBondContact O-CB 3.49Å; M72-A76 PolarHBondContact O-N 3.45Å
73G89.8Confident88.5Confident0 Ų039.5 Ų39.50%022%0.219CC..Hα-helixtrans-58-43.6177.200000111.7L69 L70 A77L69-G73 PolarHBondContact O-N 3.36Å; L70-G73 PolarHBondContact O-N 3.15Å; G73-A77 WeakPolarHBondContact O-CB 3.42Å; G73-A77 PolarHBondContact O-N 3.22Å
74V88.6Confident88.5Confident15 Ų1539.8 Ų39.89%0.09122%0.224CC..Hα-helixtrans-61.5-50.4172.1171.80000111.6L70 K71 M72 A76 A77 L78 P87 T113 L117L70-V74 WeakPolarHBondContact O-CG2 3.48Å; L70-V74 PolarHBondContact O-N 3.26Å; K71-V74 PolarHBondContact O-N 3.04Å; M72-V74 VanDerWaalsContact C-N 3.29Å; M72-V74 PolarHBondContact O-N 3.47Å; V74-A76 VanDerWaalsContact C-N 3.33Å; V74-A76 PolarHBondContact O-N 3.15Å; V74-A77 PolarHBondContact O-N 3.18Å; V74-A77 VanDerWaalsContact O-N 3.13Å; V74-L78 HydrophobicContact CG1-CD1 4Å; V74-L78 HydrophobicContact CG1-CG 4.39Å; V74-L78 WeakPolarHBondContact O-CG 3.25Å; V74-L78 PolarHBondContact O-N 3.4Å; V74-P87 HydrophobicContact CG2-CB 3.81Å; V74-P87 HydrophobicContact CG2-CG 4.24Å; V74-T113 HydrophobicContact CG2-CG2 3.75Å; V74-L117 HydrophobicContact CG1-CD1 3.81Å; V74-L117 HydrophobicContact CG1-CD2 3.75Å; V74-L117 HydrophobicContact CG1-CG 4.2Å; V74-L117 HydrophobicContact CG2-CD1 3.97Å
75A87.7Confident88.6Confident29 Ų2936.3 Ų36.324%0.2421%0.208CC..Hα-helixtrans-62-38.4-179.500000112.8L27 K71 M72 L78 A79L27-A75 HydrophobicContact CD1-CB 4.19Å; L27-A75 HydrophobicContact CD2-CB 4.14Å; K71-A75 WeakPolarHBondContact O-CB 3.36Å; K71-A75 PolarHBondContact O-N 3.04Å; M72-A75 PolarHBondContact O-N 2.99Å; M72-A75 VanDerWaalsContact O-N 3.16Å; A75-L78 PolarHBondContact O-N 2.74Å; A75-A79 VanDerWaalsContact O-CB 3.27Å; A75-A79 WeakPolarHBondContact O-CB 3.35Å; A75-A79 PolarHBondContact O-N 3.05Å
76A88.1Confident88.7Confident0 Ų033.3 Ų33.30%019%0.192CC..Hα-helixtrans-66.1-36.2174.600000112L27 L30 M72 V74 A79 N80 L81L27-A76 HydrophobicContact CD1-CB 4.38Å; L30-A76 HydrophobicContact CD2-CB 4.09Å; M72-A76 VanDerWaalsContact O-CB 3.28Å; M72-A76 WeakPolarHBondContact O-CB 3.49Å; M72-A76 PolarHBondContact O-N 3.45Å; V74-A76 VanDerWaalsContact C-N 3.33Å; V74-A76 PolarHBondContact O-N 3.15Å; A76-A79 CarbonylContact O-C 3.47Å; A76-A79 PolarHBondContact O-N 3.2Å; A76-N80 PolarHBondContact O-N 3.48Å; A76-L81 HydrophobicContact CB-CB 4.37Å; A76-L81 WeakPolarHBondContact O-CB 3.45Å; A76-L81 PolarHBondContact O-N 2.98Å
77A87.8Confident88.6Confident10 Ų1033.4 Ų33.48%0.08319%0.193CC..Hα-helixtrans-71.9-40.2176.400000111.9G73 V74 A79 N80 C82 P87 L122G73-A77 WeakPolarHBondContact O-CB 3.42Å; G73-A77 PolarHBondContact O-N 3.22Å; V74-A77 PolarHBondContact O-N 3.18Å; V74-A77 VanDerWaalsContact O-N 3.13Å; A77-A79 VanDerWaalsContact C-N 3.35Å; A77-N80 PolarHBondContact O-N 3.26Å; A77-C82 WeakPolarHBondContact CA-SG 3.48Å; A77-C82 VanDerWaalsContact CB-SG 3.6Å; A77-C82 PolarHBondContact N-SG 3.27Å; A77-P87 HydrophobicContact CB-CG 3.69Å; A77-L122 HydrophobicContact CB-CD1 3.64Å; A77-L122 HydrophobicContact CB-CD2 4.21Å
78L86.6Confident88.7Confident94 Ų9431.4 Ų31.449%0.49218%0.184SC..Hα-helixtrans-62.5-39.8171.6-69.3174.6000112.2V74 A75 N80 L117 V120V74-L78 HydrophobicContact CG1-CD1 4Å; V74-L78 HydrophobicContact CG1-CG 4.39Å; V74-L78 WeakPolarHBondContact O-CG 3.25Å; V74-L78 PolarHBondContact O-N 3.4Å; A75-L78 PolarHBondContact O-N 2.74Å; L78-N80 PolarHBondContact O-N 3.49Å; L78-L117 HydrophobicContact CD1-CD2 4.2Å; L78-L117 HydrophobicContact CD2-CD2 3.94Å; L78-L117 HydrophobicContact CG-CD2 4.27Å; L78-V120 HydrophobicContact CD2-CB 4.44Å; L78-V120 HydrophobicContact CD2-CG1 3.62Å; L78-V120 HydrophobicContact CD2-CG2 4.15Å
79A86Confident88.8Confident43 Ų4330.5 Ų30.536%0.35518%0.176SC..THydrogen-bonded Turntrans-75.24.8173.200000113.7L27 A75 A76 A77 L81L27-A79 HydrophobicContact CD1-CB 4.3Å; L27-A79 HydrophobicContact CD2-CB 4.48Å; A75-A79 VanDerWaalsContact O-CB 3.27Å; A75-A79 WeakPolarHBondContact O-CB 3.35Å; A75-A79 PolarHBondContact O-N 3.05Å; A76-A79 CarbonylContact O-C 3.47Å; A76-A79 PolarHBondContact O-N 3.2Å; A77-A79 VanDerWaalsContact C-N 3.35Å; A79-L81 HydrophobicContact CB-CD1 4.11Å; A79-L81 HydrophobicContact CB-CG 3.91Å; A79-L81 PolarHBondContact O-N 2.98Å; A79-L81 VanDerWaalsContact O-N 3.16Å
80N85.9Confident88.9Confident112 Ų11230.5 Ų30.560%0.59918%0.176SC*.THydrogen-bonded Turntrans60.319.3179.1-165.243.7000114.5K43 A76 A77 L78K43-N80 WeakPolarHBondContact CE-O 3.47Å; K43-N80 PolarHBondContact NZ-O 2.86Å; K43-N80 PolarHBondContact NZ-OD1 3.38Å; A76-N80 PolarHBondContact O-N 3.48Å; A77-N80 PolarHBondContact O-N 3.26Å; L78-N80 PolarHBondContact O-N 3.49Å
81L85.8Confident89Confident22 Ų2230.5 Ų30.512%0.11518%0.177CC..SBendtrans-78.3-36.2-179-58.7177.9000112.5L27 L30 K31 A34 I46 A76 A79L27-L81 HydrophobicContact CD1-CD1 3.93Å; L30-L81 HydrophobicContact CD2-CD1 4.31Å; L30-L81 HydrophobicContact CG-CD1 4.28Å; K31-L81 HydrophobicContact CB-CD1 4.11Å; K31-L81 HydrophobicContact CB-CD2 4.44Å; K31-L81 HydrophobicContact CG-CD2 4.3Å; A34-L81 HydrophobicContact CB-CD2 4.15Å; I46-L81 HydrophobicContact CD1-CB 4.46Å; I46-L81 WeakPolarHBondContact CD1-O 3.5Å; A76-L81 HydrophobicContact CB-CB 4.37Å; A76-L81 WeakPolarHBondContact O-CB 3.45Å; A76-L81 PolarHBondContact O-N 2.98Å; A79-L81 HydrophobicContact CB-CD1 4.11Å; A79-L81 HydrophobicContact CB-CG 3.91Å; A79-L81 PolarHBondContact O-N 2.98Å; A79-L81 VanDerWaalsContact O-N 3.16Å
82C87.5Confident89.2Confident1 Ų125 Ų251%0.00715%0.154CC..SBendtrans-114.4-178.2178.672.70000111.1K43 I46 D47 L50 A77K43-C82 PolarHBondContact NZ-O 3.36Å; I46-C82 HydrophobicContact CG2-CB 3.85Å; D47-C82 VanDerWaalsContact OD1-CB 3.29Å; D47-C82 WeakPolarHBondContact OD1-CB 3.42Å; L50-C82 HydrophobicContact CD1-CB 4.25Å; A77-C82 WeakPolarHBondContact CA-SG 3.48Å; A77-C82 VanDerWaalsContact CB-SG 3.6Å; A77-C82 PolarHBondContact N-SG 3.27Å
83S89.3Confident89.5Confident36 Ų3624.7 Ų24.725%0.25215%0.153SC..  trans-77.9145.2177.8-63.30000112.1D47 P85 T86D47-S83 PolarHBondContact OD1-N 3.34Å; D47-S83 WeakPolarHBondContact OD2-CB 3.35Å; D47-S83 PolarHBondContact OD2-OG 3.37Å; S83-P85 VanDerWaalsContact C-CD 3.47Å; S83-T86 VanDerWaalsContact O-CB 3.23Å; S83-T86 WeakPolarHBondContact O-CB 3.38Å; S83-T86 PolarHBondContact O-N 3.31Å; S83-T86 PolarHBondContact O-OG1 2.77Å; S83-T86 VanDerWaalsContact O-OG1 3.1Å
84A86.2Confident89.7Confident28 Ų2824.7 Ų24.723%0.23115%0.154CC..THydrogen-bonded Turntrans-54.3-38.7-177.600000116.2T86 L122A84-T86 VanDerWaalsContact C-N 3.3Å; A84-T86 PolarHBondContact O-N 3.2Å; A84-L122 HydrophobicContact CB-CD1 3.79Å; A84-L122 VanDerWaalsContact O-CD1 3.31Å; A84-L122 WeakPolarHBondContact O-CD1 3.48Å
85P89.7Confident90Very high39 Ų3924.1 Ų24.125%0.25315%0.15SC..THydrogen-bonded Turntrans-77.9-7.417731.4-37.1000114.5S83 F88 L89S83-P85 VanDerWaalsContact C-CD 3.47Å; P85-F88 WeakPolarHBondContact O-CB 3.37Å; P85-F88 PolarHBondContact O-N 2.63Å; P85-L89 PolarHBondContact O-N 2.63Å
86T90.5Very high90.2Very high2 Ų227 Ų271%0.01216%0.161CC..Hα-helixtrans-59.2-42.2-170.3-620000114.5D47 L50 S83 A84 F88 L89 L90D47-T86 HydrophobicContact CB-CG2 4.38Å; D47-T86 WeakPolarHBondContact OD1-CB 3.39Å; D47-T86 WeakPolarHBondContact OD1-CG2 3.28Å; D47-T86 PolarHBondContact OD1-OG1 2.88Å; L50-T86 HydrophobicContact CD1-CG2 4.15Å; S83-T86 VanDerWaalsContact O-CB 3.23Å; S83-T86 WeakPolarHBondContact O-CB 3.38Å; S83-T86 PolarHBondContact O-N 3.31Å; S83-T86 PolarHBondContact O-OG1 2.77Å; S83-T86 VanDerWaalsContact O-OG1 3.1Å; A84-T86 VanDerWaalsContact C-N 3.3Å; A84-T86 PolarHBondContact O-N 3.2Å; T86-F88 VanDerWaalsContact C-N 3.28Å; T86-F88 PolarHBondContact O-N 3.23Å; T86-L89 PolarHBondContact O-N 3.19Å; T86-L89 VanDerWaalsContact O-N 3.13Å; T86-L90 HydrophobicContact CG2-CD1 4.32Å; T86-L90 HydrophobicContact CG2-CG 4.45Å; T86-L90 WeakPolarHBondContact O-CG 3.29Å; T86-L90 PolarHBondContact O-N 3.03Å
87P90.5Very high90.4Very high3 Ų330.7 Ų30.72%0.01918%0.184CC..Hα-helixtrans-57.9-39.8174-25.235.4000113.1V74 A77 L89 L90 F91V74-P87 HydrophobicContact CG2-CB 3.81Å; V74-P87 HydrophobicContact CG2-CG 4.24Å; A77-P87 HydrophobicContact CB-CG 3.69Å; P87-L89 VanDerWaalsContact C-N 3.35Å; P87-L90 PolarHBondContact O-N 3.26Å; P87-F91 VanDerWaalsContact O-CD2 3.24Å; P87-F91 WeakPolarHBondContact O-CD2 3.05Å; P87-F91 PolarHBondContact O-N 2.91Å
88F92.2Very high90.6Very high2 Ų230.9 Ų30.91%0.00918%0.183CC..Hα-helixtrans-70.4-31.7178.6-55-91.6000112.1P85 T86 A92 I114 L122 F123 G126 T129 L130P85-F88 WeakPolarHBondContact O-CB 3.37Å; P85-F88 PolarHBondContact O-N 2.63Å; T86-F88 VanDerWaalsContact C-N 3.28Å; T86-F88 PolarHBondContact O-N 3.23Å; F88-A92 WeakPolarHBondContact O-CB 3.33Å; F88-A92 PolarHBondContact O-N 3.36Å; F88-I114 HydrophobicContact CD1-CD1 4.08Å; F88-I114 HydrophobicContact CE1-CD1 3.99Å; F88-I114 HydrophobicContact CE1-CG1 4.27Å; F88-I114 HydrophobicContact CE1-CG2 4.32Å; F88-L122 HydrophobicContact CE2-CG 4.4Å; F88-F123 HydrophobicContact CE1-CD2 4.47Å; F88-F123 HydrophobicContact CZ-CD2 4.32Å; F88-G126 VanDerWaalsContact CD2-CA 3.45Å; F88-T129 HydrophobicContact CB-CG2 3.83Å; F88-L130 HydrophobicContact CD1-CB 4.05Å; F88-L130 HydrophobicContact CE1-CB 4.48Å; F88-L130 HydrophobicContact CE1-CD2 4.33Å
89L93Very high90.8Very high49 Ų4930.3 Ų30.326%0.25719%0.185SC..Hα-helixtrans-69.5-39.7171.8-67.3171000111.5P85 T86 P87 A92 D93 T129P85-L89 PolarHBondContact O-N 2.63Å; T86-L89 PolarHBondContact O-N 3.19Å; T86-L89 VanDerWaalsContact O-N 3.13Å; P87-L89 VanDerWaalsContact C-N 3.35Å; L89-A92 WeakPolarHBondContact O-CB 3.32Å; L89-A92 PolarHBondContact O-N 3.1Å; L89-A92 VanDerWaalsContact O-N 3.15Å; L89-D93 VanDerWaalsContact O-CG 3.24Å; L89-D93 PolarHBondContact O-N 3.28Å; L89-T129 HydrophobicContact CD2-CG2 3.76Å; L89-T129 HydrophobicContact CG-CG2 4.23Å
90L93.5Very high91.1Very high0 Ų030.8 Ų30.80%018%0.181CC..Hα-helixtrans-63-43.8175.8-67.3170.8000111.5L50 R51 M54 L70 T86 P87 A92 D93 V94L50-L90 HydrophobicContact CB-CD1 4.47Å; L50-L90 HydrophobicContact CB-CD2 4.39Å; R51-L90 HydrophobicContact CB-CD2 4.49Å; R51-L90 HydrophobicContact CG-CD2 3.84Å; M54-L90 HydrophobicContact CB-CD2 3.72Å; M54-L90 HydrophobicContact CE-CB 4.03Å; M54-L90 HydrophobicContact CE-CD2 4.18Å; M54-L90 HydrophobicContact CG-CD2 4.06Å; L70-L90 HydrophobicContact CD2-CB 3.72Å; T86-L90 HydrophobicContact CG2-CD1 4.32Å; T86-L90 HydrophobicContact CG2-CG 4.45Å; T86-L90 WeakPolarHBondContact O-CG 3.29Å; T86-L90 PolarHBondContact O-N 3.03Å; P87-L90 PolarHBondContact O-N 3.26Å; L90-A92 VanDerWaalsContact C-N 3.32Å; L90-A92 PolarHBondContact O-N 3.07Å; L90-D93 PolarHBondContact O-N 3.3Å; L90-V94 WeakPolarHBondContact O-CG2 3.38Å; L90-V94 PolarHBondContact O-N 2.87Å; L90-V94 VanDerWaalsContact O-N 3.15Å
91F93.8Very high91.3Very high3 Ų329.8 Ų29.81%0.01318%0.183CC..Hα-helixtrans-61-39.7171.1-79.9-68.9000112.3L70 P87 D93 V94 F95 F109 M110 T113 M133L70-F91 HydrophobicContact CB-CZ 4.32Å; L70-F91 HydrophobicContact CD1-CD1 4.01Å; L70-F91 HydrophobicContact CD1-CE1 3.67Å; L70-F91 HydrophobicContact CD1-CZ 4.23Å; L70-F91 HydrophobicContact CD2-CD1 3.86Å; L70-F91 HydrophobicContact CD2-CD2 4.01Å; L70-F91 HydrophobicContact CD2-CE1 3.96Å; L70-F91 HydrophobicContact CD2-CE2 4.09Å; L70-F91 HydrophobicContact CD2-CG 3.88Å; L70-F91 HydrophobicContact CD2-CZ 4.06Å; L70-F91 HydrophobicContact CG-CE1 4.28Å; L70-F91 HydrophobicContact CG-CZ 4.43Å; P87-F91 VanDerWaalsContact O-CD2 3.24Å; P87-F91 WeakPolarHBondContact O-CD2 3.05Å; P87-F91 PolarHBondContact O-N 2.91Å; F91-D93 VanDerWaalsContact C-N 3.34Å; F91-D93 PolarHBondContact O-N 3.43Å; F91-V94 WeakPolarHBondContact O-CB 3.32Å; F91-V94 PolarHBondContact O-N 3.16Å; F91-F95 HydrophobicContact CB-CE2 4.16Å; F91-F95 HydrophobicContact CD1-CE2 4.35Å; F91-F95 WeakPolarHBondContact O-CD2 3.33Å; F91-F95 PolarHBondContact O-N 3.35Å; F91-F109 HydrophobicContact CE1-CD1 4.1Å; F91-F109 HydrophobicContact CE1-CE1 4.19Å; F91-F109 HydrophobicContact CZ-CD1 4.43Å; F91-F109 HydrophobicContact CZ-CE1 4.2Å; F91-M110 HydrophobicContact CD1-CB 3.75Å; F91-M110 HydrophobicContact CD1-CG 3.64Å; F91-M110 HydrophobicContact CD2-CG 4.15Å; F91-M110 HydrophobicContact CE1-CB 3.48Å; F91-M110 VanDerWaalsContact CE1-CB 3.48Å; F91-M110 HydrophobicContact CE1-CG 3.7Å; F91-M110 HydrophobicContact CE2-CG 4.22Å; F91-M110 HydrophobicContact CG-CB 4.49Å; F91-M110 HydrophobicContact CG-CG 3.88Å; F91-M110 HydrophobicContact CZ-CB 4.04Å; F91-M110 HydrophobicContact CZ-CG 4.01Å; F91-T113 HydrophobicContact CE2-CG2 4.1Å; F91-T113 HydrophobicContact CZ-CG2 4.05Å; F91-M133 VanDerWaalsContact C-SD 3.5Å; F91-M133 HydrophobicContact CB-CE 4.13Å; F91-M133 HydrophobicContact CB-SD 3.67Å
92A93.7Very high91.6Very high11 Ų1130.2 Ų30.29%0.09119%0.185CC..Hα-helixtrans-65.4-37.9178.200000112.2F88 L89 L90 F95 N96 M133F88-A92 WeakPolarHBondContact O-CB 3.33Å; F88-A92 PolarHBondContact O-N 3.36Å; L89-A92 WeakPolarHBondContact O-CB 3.32Å; L89-A92 PolarHBondContact O-N 3.1Å; L89-A92 VanDerWaalsContact O-N 3.15Å; L90-A92 VanDerWaalsContact C-N 3.32Å; L90-A92 PolarHBondContact O-N 3.07Å; A92-F95 PolarHBondContact O-N 2.99Å; A92-N96 VanDerWaalsContact O-CB 3.23Å; A92-N96 WeakPolarHBondContact O-CB 2.93Å; A92-N96 PolarHBondContact O-N 3.01Å; A92-N96 PolarHBondContact O-ND2 2.89Å; A92-M133 WeakPolarHBondContact CA-SD 3.41Å; A92-M133 HydrophobicContact CB-CB 4.23Å; A92-M133 HydrophobicContact CB-CG 3.98Å; A92-M133 HydrophobicContact CB-SD 3.77Å; A92-M133 PolarHBondContact N-SD 3.5Å
93D93.5Very high91.9Very high19 Ų1930.2 Ų30.210%0.10219%0.185CC..Hα-helixtrans-62.1-42.9174.2-66.3-26.6000110.8R51 M54 L58 L89 L90 F91 T97R51-D93 IonicContact CZ-OD1 3.65Å; R51-D93 IonicContact CZ-OD2 2.94Å; R51-D93 IonicContact NE-OD1 3.84Å; R51-D93 IonicContact NE-OD2 3.14Å; R51-D93 PolarHBondContact NE-OD2 3.08Å; R51-D93 IonicContact NH2-OD1 3.01Å; R51-D93 PolarHBondContact NH2-OD1 3.4Å; R51-D93 IonicContact NH2-OD2 3.15Å; R51-D93 PolarHBondContact NH2-OD2 3.41Å; M54-D93 HydrophobicContact CG-CB 4.22Å; L58-D93 HydrophobicContact CD1-CB 4.35Å; L89-D93 VanDerWaalsContact O-CG 3.24Å; L89-D93 PolarHBondContact O-N 3.28Å; L90-D93 PolarHBondContact O-N 3.3Å; F91-D93 VanDerWaalsContact C-N 3.34Å; F91-D93 PolarHBondContact O-N 3.43Å; D93-T97 WeakPolarHBondContact O-CB 3.48Å; D93-T97 PolarHBondContact O-N 3.14Å; D93-T97 PolarHBondContact O-OG1 2.8Å
94V93.8Very high92Very high1 Ų132.5 Ų32.51%0.00619%0.191CC..Hα-helixtrans-58.1-56.3174.7177.40000111.4M54 L58 V66 L70 L90 F91 N96 T97 K98 M106M54-V94 HydrophobicContact CE-CG2 4.06Å; M54-V94 HydrophobicContact SD-CG2 3.79Å; L58-V94 HydrophobicContact CD2-CB 4.34Å; L58-V94 HydrophobicContact CD2-CG1 4.34Å; L58-V94 HydrophobicContact CD2-CG2 4.11Å; V66-V94 HydrophobicContact CG1-CG2 3.67Å; L70-V94 HydrophobicContact CD1-CG2 4.32Å; L90-V94 WeakPolarHBondContact O-CG2 3.38Å; L90-V94 PolarHBondContact O-N 2.87Å; L90-V94 VanDerWaalsContact O-N 3.15Å; F91-V94 WeakPolarHBondContact O-CB 3.32Å; F91-V94 PolarHBondContact O-N 3.16Å; V94-N96 PolarHBondContact O-N 3.1Å; V94-T97 PolarHBondContact O-N 2.87Å; V94-K98 HydrophobicContact CG1-CG 4.41Å; V94-K98 WeakPolarHBondContact O-CB 3.33Å; V94-K98 WeakPolarHBondContact O-CG 3.2Å; V94-K98 PolarHBondContact O-N 3.01Å; V94-M106 HydrophobicContact CG1-CB 4.49Å; V94-M106 HydrophobicContact CG1-CG 4.12Å
95F94Very high92.2Very high3 Ų336.1 Ų36.11%0.01320%0.204CC..Hα-helixtrans-66.1-37.6-175.3-63.5-58.1000112.4F91 A92 T97 C103 M106 F107 M110 M133 L137 R140F91-F95 HydrophobicContact CB-CE2 4.16Å; F91-F95 HydrophobicContact CD1-CE2 4.35Å; F91-F95 WeakPolarHBondContact O-CD2 3.33Å; F91-F95 PolarHBondContact O-N 3.35Å; A92-F95 PolarHBondContact O-N 2.99Å; F95-T97 VanDerWaalsContact C-N 3.28Å; F95-T97 PolarHBondContact O-N 3.34Å; F95-C103 HydrophobicContact CD1-CB 3.82Å; F95-C103 HydrophobicContact CE1-CB 4.34Å; F95-C103 WeakPolarHBondContact CE1-O 3.34Å; F95-M106 HydrophobicContact CE1-CB 3.94Å; F95-M106 HydrophobicContact CZ-CB 4.48Å; F95-F107 HydrophobicContact CZ-CD2 4.4Å; F95-M110 HydrophobicContact CE2-CG 4.39Å; F95-M110 HydrophobicContact CE2-SD 3.57Å; F95-M110 VanDerWaalsContact CE2-SD 3.57Å; F95-M110 HydrophobicContact CZ-CB 4.16Å; F95-M110 HydrophobicContact CZ-CG 4.47Å; F95-M110 HydrophobicContact CZ-SD 3.92Å; F95-M133 HydrophobicContact CD2-CE 4.31Å; F95-M133 HydrophobicContact CD2-CG 3.81Å; F95-M133 HydrophobicContact CD2-SD 3.57Å; F95-M133 VanDerWaalsContact CD2-SD 3.57Å; F95-M133 HydrophobicContact CE2-CE 4.06Å; F95-M133 HydrophobicContact CE2-CG 4.47Å; F95-M133 HydrophobicContact CE2-SD 3.86Å; F95-L137 HydrophobicContact CD1-CD2 4.48Å; F95-R140 VanDerWaalsContact O-CZ 3.22Å; F95-R140 PolarHBondContact O-NH1 3.24Å; F95-R140 PolarHBondContact O-NH2 2.97Å
96N92.5Very high92.3Very high88 Ų8834.4 Ų34.447%0.47119%0.192SC..Hα-helixtrans-67.7-27.9179.2-73.5-31.3000112.9A92 V94A92-N96 VanDerWaalsContact O-CB 3.23Å; A92-N96 WeakPolarHBondContact O-CB 2.93Å; A92-N96 PolarHBondContact O-N 3.01Å; A92-N96 PolarHBondContact O-ND2 2.89Å; V94-N96 PolarHBondContact O-N 3.1Å
97T92.2Very high92.4Very high78 Ų7834.5 Ų34.548%0.47919%0.192SC..Hα-helixtrans-91.8-32.8-179.2-56.50000113.7L58 D93 V94 F95L58-T97 HydrophobicContact CB-CG2 4.22Å; D93-T97 WeakPolarHBondContact O-CB 3.48Å; D93-T97 PolarHBondContact O-N 3.14Å; D93-T97 PolarHBondContact O-OG1 2.8Å; V94-T97 PolarHBondContact O-N 2.87Å; F95-T97 VanDerWaalsContact C-N 3.28Å; F95-T97 PolarHBondContact O-N 3.34Å
98K91.4Very high92.5Very high14 Ų1436 Ų366%0.06121%0.209CC..SBendtrans-92.5153.3-170.5-64.9-55.8-169.81750114.9L58 D61 V94 L102 C103 R140L58-K98 HydrophobicContact CD2-CD 4.26Å; L58-K98 VanDerWaalsContact CD2-CE 3.46Å; L58-K98 HydrophobicContact CD2-CG 4.03Å; L58-K98 PolarHBondContact O-NZ 3.01Å; D61-K98 IonicContact OD1-NZ 3.56Å; D61-K98 PolarHBondContact OD1-NZ 3.29Å; V94-K98 HydrophobicContact CG1-CG 4.41Å; V94-K98 WeakPolarHBondContact O-CB 3.33Å; V94-K98 WeakPolarHBondContact O-CG 3.2Å; V94-K98 PolarHBondContact O-N 3.01Å; K98-L102 HydrophobicContact CB-CB 4.42Å; K98-L102 HydrophobicContact CB-CD2 4.14Å; K98-L102 HydrophobicContact CB-CG 4.48Å; K98-L102 HydrophobicContact CD-CD2 3.87Å; K98-L102 HydrophobicContact CG-CD2 3.95Å; K98-C103 PolarHBondContact O-SG 2.99Å; K98-C103 VanDerWaalsContact O-SG 3.36Å; K98-R140 PolarHBondContact O-NH2 3.01Å
99P92.6Very high92.4Very high82 Ų8237.4 Ų37.453%0.53222%0.215SC..  trans-61163.5172.9-22.734.5000113.4S101 L102 C103P99-S101 PolarHBondContact O-N 3.06Å; P99-L102 PolarHBondContact O-N 3.49Å; P99-C103 PolarHBondContact O-N 3.3Å; P99-C103 PolarHBondContact O-SG 2.97Å
100I91.9Very high92.4Very high54 Ų5435 Ų3528%0.27720%0.202SC..Hα-helixtrans-60.3-43.3-175.3-67.4169.8000112.6L102 C103 E104 L141I100-L102 VanDerWaalsContact C-N 3.3Å; I100-L102 PolarHBondContact O-N 3.23Å; I100-C103 WeakPolarHBondContact O-CB 3.46Å; I100-C103 PolarHBondContact O-N 3Å; I100-C103 VanDerWaalsContact O-N 3.1Å; I100-E104 PolarHBondContact O-N 3.46Å; I100-L141 HydrophobicContact CB-CD2 4.42Å; I100-L141 HydrophobicContact CD1-CD2 4.17Å; I100-L141 HydrophobicContact CG1-CD2 4.13Å; I100-L141 HydrophobicContact CG2-CD2 3.47Å; I100-L141 VanDerWaalsContact CG2-CD2 3.47Å
101S90.4Very high92.2Very high91 Ų9137.4 Ų37.464%0.63621%0.213SC*.Hα-helixtrans-56-43.5179.246.10000112.6P99 E104 E105P99-S101 PolarHBondContact O-N 3.06Å; S101-E104 PolarHBondContact O-N 3.4Å; S101-E105 PolarHBondContact O-N 2.92Å
102L91.3Very high92Very high31 Ų3143.7 Ų43.716%0.16224%0.243CC..Hα-helixtrans-78.4-27.5178.2-169.159.1000112.4M63 K98 P99 I100 E104 E105 M106M63-L102 HydrophobicContact CE-CD1 4.09Å; M63-L102 HydrophobicContact CE-CD2 3.98Å; M63-L102 HydrophobicContact CE-CG 3.99Å; M63-L102 HydrophobicContact CG-CD1 4.22Å; M63-L102 HydrophobicContact CG-CD2 4Å; M63-L102 HydrophobicContact SD-CD2 3.76Å; M63-L102 HydrophobicContact SD-CG 4.42Å; K98-L102 HydrophobicContact CB-CB 4.42Å; K98-L102 HydrophobicContact CB-CD2 4.14Å; K98-L102 HydrophobicContact CB-CG 4.48Å; K98-L102 HydrophobicContact CD-CD2 3.87Å; K98-L102 HydrophobicContact CG-CD2 3.95Å; P99-L102 PolarHBondContact O-N 3.49Å; I100-L102 VanDerWaalsContact C-N 3.3Å; I100-L102 PolarHBondContact O-N 3.23Å; L102-E104 VanDerWaalsContact C-N 3.26Å; L102-E104 PolarHBondContact O-N 2.98Å; L102-E105 WeakPolarHBondContact CD1-OE2 3.35Å; L102-M106 HydrophobicContact CD1-CE 4.41Å; L102-M106 WeakPolarHBondContact O-CB 3.47Å; L102-M106 WeakPolarHBondContact O-CG 3.14Å; L102-M106 PolarHBondContact O-N 3.26Å
103C93.2Very high91.7Very high0 Ų044.2 Ų44.20%025%0.245CC..Hα-helixtrans-62.9-34.8169.3-66.10000111.7F95 K98 P99 I100 F107 L137 F149F95-C103 HydrophobicContact CD1-CB 3.82Å; F95-C103 HydrophobicContact CE1-CB 4.34Å; F95-C103 WeakPolarHBondContact CE1-O 3.34Å; K98-C103 PolarHBondContact O-SG 2.99Å; K98-C103 VanDerWaalsContact O-SG 3.36Å; P99-C103 PolarHBondContact O-N 3.3Å; P99-C103 PolarHBondContact O-SG 2.97Å; I100-C103 WeakPolarHBondContact O-CB 3.46Å; I100-C103 PolarHBondContact O-N 3Å; I100-C103 VanDerWaalsContact O-N 3.1Å; C103-F107 WeakPolarHBondContact O-CB 3.3Å; C103-F107 PolarHBondContact O-N 2.75Å; C103-L137 HydrophobicContact CB-CD1 4.08Å; C103-F149 HydrophobicContact CB-CE1 4.44Å
104E91.8Very high91.3Very high84 Ų8443.4 Ų43.439%0.39324%0.24SC..Hα-helixtrans-67.5-47.4177.9-169.2165-16900111.5I100 S101 L102 M106 F107 F149I100-E104 PolarHBondContact O-N 3.46Å; S101-E104 PolarHBondContact O-N 3.4Å; L102-E104 VanDerWaalsContact C-N 3.26Å; L102-E104 PolarHBondContact O-N 2.98Å; E104-M106 PolarHBondContact O-N 3.27Å; E104-F107 WeakPolarHBondContact O-CB 3.29Å; E104-F107 PolarHBondContact O-N 2.77Å; E104-F149 HydrophobicContact CB-CD1 4.32Å; E104-F149 HydrophobicContact CB-CE1 4.16Å; E104-F149 HydrophobicContact CB-CE2 4.36Å; E104-F149 HydrophobicContact CB-CZ 4.18Å; E104-F149 HydrophobicContact CG-CD1 4.42Å; E104-F149 HydrophobicContact CG-CD2 4.04Å; E104-F149 HydrophobicContact CG-CE2 4.27Å; E104-F149 HydrophobicContact CG-CG 4.14Å
105E90Very high90.7Very high105 Ų10545.8 Ų45.849%0.49125%0.253SS..Hα-helixtrans-59.8-46.4173-167.6-150.3140.300111.8K67 S101 L102 F107K67-E105 IonicContact NZ-OE1 3.16Å; K67-E105 PolarHBondContact NZ-OE1 3.19Å; S101-E105 PolarHBondContact O-N 2.92Å; L102-E105 WeakPolarHBondContact CD1-OE2 3.35Å; E105-F107 PolarHBondContact O-N 2.9Å
106M91.8Very high90Very high3 Ų351.1 Ų51.12%0.01529%0.286CS..Hα-helixtrans-69.5-19-179.7-69.7-49.493.400113.6M63 K67 V94 F95 L102 E104 M110M63-M106 HydrophobicContact CE-CE 4.1Å; M63-M106 HydrophobicContact CE-CG 3.47Å; M63-M106 VanDerWaalsContact CE-CG 3.47Å; M63-M106 HydrophobicContact CE-SD 3.35Å; M63-M106 WeakPolarHBondContact CE-SD 3.4Å; K67-M106 HydrophobicContact CG-SD 4.23Å; V94-M106 HydrophobicContact CG1-CB 4.49Å; V94-M106 HydrophobicContact CG1-CG 4.12Å; F95-M106 HydrophobicContact CE1-CB 3.94Å; F95-M106 HydrophobicContact CZ-CB 4.48Å; L102-M106 HydrophobicContact CD1-CE 4.41Å; L102-M106 WeakPolarHBondContact O-CB 3.47Å; L102-M106 WeakPolarHBondContact O-CG 3.14Å; L102-M106 PolarHBondContact O-N 3.26Å; E104-M106 PolarHBondContact O-N 3.27Å; M106-M110 WeakPolarHBondContact O-CB 3.2Å; M106-M110 PolarHBondContact O-N 3.49Å
107F93.7Very high89.3Confident3 Ų347.1 Ų47.11%0.01326%0.264CS..Hα-helixtrans-68.2-41.5179.7-168-90.9000112F95 C103 E104 E105 F109 M110 E111 L137 F149 I153 F156F95-F107 HydrophobicContact CZ-CD2 4.4Å; C103-F107 WeakPolarHBondContact O-CB 3.3Å; C103-F107 PolarHBondContact O-N 2.75Å; E104-F107 WeakPolarHBondContact O-CB 3.29Å; E104-F107 PolarHBondContact O-N 2.77Å; E105-F107 PolarHBondContact O-N 2.9Å; F107-F109 PolarHBondContact O-N 2.94Å; F107-M110 HydrophobicContact CD2-CE 3.58Å; F107-M110 HydrophobicContact CE1-CE 4.33Å; F107-M110 HydrophobicContact CE2-CE 3.28Å; F107-M110 HydrophobicContact CG-CE 4.21Å; F107-M110 HydrophobicContact CZ-CE 3.69Å; F107-M110 WeakPolarHBondContact O-CB 3.31Å; F107-M110 PolarHBondContact O-N 3.41Å; F107-E111 PolarHBondContact O-N 3.22Å; F107-L137 HydrophobicContact CD2-CD2 4.15Å; F107-F149 HydrophobicContact CB-CE2 3.57Å; F107-F149 HydrophobicContact CB-CZ 3.9Å; F107-F149 HydrophobicContact CD1-CE2 4.08Å; F107-F149 AromaticContact CD2-CE2 3.97Å; F107-F149 HydrophobicContact CD2-CE2 3.97Å; F107-F149 HydrophobicContact CD2-CZ 4.21Å; F107-F149 AromaticContact CG-CE2 3.6Å; F107-F149 HydrophobicContact CG-CE2 3.6Å; F107-F149 HydrophobicContact CG-CZ 4.14Å; F107-I153 HydrophobicContact CD2-CG1 4.14Å; F107-I153 HydrophobicContact CE1-CG1 4.46Å; F107-I153 HydrophobicContact CE2-CB 4.34Å; F107-I153 HydrophobicContact CE2-CG1 3.61Å; F107-I153 HydrophobicContact CE2-CG2 4.45Å; F107-I153 HydrophobicContact CZ-CB 4.21Å; F107-I153 HydrophobicContact CZ-CG1 3.8Å; F107-F156 HydrophobicContact CE1-CB 3.99Å; F107-F156 HydrophobicContact CE1-CD1 4.39Å; F107-F156 HydrophobicContact CE1-CG 4.15Å; F107-F156 HydrophobicContact CE2-CD1 4.29Å; F107-F156 HydrophobicContact CZ-CB 3.79Å; F107-F156 AromaticContact CZ-CD1 3.57Å; F107-F156 HydrophobicContact CZ-CD1 3.57Å; F107-F156 HydrophobicContact CZ-CE1 4.28Å; F107-F156 AromaticContact CZ-CG 3.76Å; F107-F156 HydrophobicContact CZ-CG 3.76Å
108G91.5Very high88.4Confident35 Ų3547.5 Ų47.536%0.36126%0.259SS..Hα-helixtrans-60.2-45.7175.900000112M110 E111 E112G108-M110 VanDerWaalsContact C-N 3.33Å; G108-M110 PolarHBondContact O-N 3.31Å; G108-E111 PolarHBondContact O-N 3.23Å; G108-E111 VanDerWaalsContact O-N 3.14Å; G108-E112 PolarHBondContact O-N 3.46Å; G108-E112 VanDerWaalsContact O-N 3.13Å
109F91.1Very high87.3Confident31 Ų3154.3 Ų54.314%0.13630%0.296CS..Hα-helixtrans-61.6-38.5175.3176.1-109.2000113K67 L70 K71 F91 F107 T113K67-F109 HydrophobicContact CB-CE1 4.3Å; K67-F109 HydrophobicContact CB-CZ 4.34Å; K67-F109 HydrophobicContact CG-CD1 4.19Å; K67-F109 HydrophobicContact CG-CE1 4.25Å; K67-F109 HydrophobicContact CG-CG 4.48Å; L70-F109 HydrophobicContact CB-CE1 3.9Å; L70-F109 HydrophobicContact CB-CZ 4.46Å; L70-F109 HydrophobicContact CD1-CD1 4.23Å; L70-F109 HydrophobicContact CD1-CE1 3.77Å; L70-F109 HydrophobicContact CG-CE1 4.5Å; K71-F109 HydrophobicContact CG-CE2 4.42Å; K71-F109 HydrophobicContact CG-CZ 3.92Å; F91-F109 HydrophobicContact CE1-CD1 4.1Å; F91-F109 HydrophobicContact CE1-CE1 4.19Å; F91-F109 HydrophobicContact CZ-CD1 4.43Å; F91-F109 HydrophobicContact CZ-CE1 4.2Å; F107-F109 PolarHBondContact O-N 2.94Å; F109-T113 WeakPolarHBondContact O-CB 3.49Å; F109-T113 PolarHBondContact O-N 3.21Å; F109-T113 PolarHBondContact O-OG1 2.99Å
110M91.7Very high86.4Confident0 Ų052.6 Ų52.60%028%0.284CS..Hα-helixtrans-65.6-42.4172.8-176.5-152.860.800111.7F91 F95 M106 F107 G108 T113 I114 L130 M133 F156F91-M110 HydrophobicContact CD1-CB 3.75Å; F91-M110 HydrophobicContact CD1-CG 3.64Å; F91-M110 HydrophobicContact CD2-CG 4.15Å; F91-M110 HydrophobicContact CE1-CB 3.48Å; F91-M110 VanDerWaalsContact CE1-CB 3.48Å; F91-M110 HydrophobicContact CE1-CG 3.7Å; F91-M110 HydrophobicContact CE2-CG 4.22Å; F91-M110 HydrophobicContact CG-CB 4.49Å; F91-M110 HydrophobicContact CG-CG 3.88Å; F91-M110 HydrophobicContact CZ-CB 4.04Å; F91-M110 HydrophobicContact CZ-CG 4.01Å; F95-M110 HydrophobicContact CE2-CG 4.39Å; F95-M110 HydrophobicContact CE2-SD 3.57Å; F95-M110 VanDerWaalsContact CE2-SD 3.57Å; F95-M110 HydrophobicContact CZ-CB 4.16Å; F95-M110 HydrophobicContact CZ-CG 4.47Å; F95-M110 HydrophobicContact CZ-SD 3.92Å; M106-M110 WeakPolarHBondContact O-CB 3.2Å; M106-M110 PolarHBondContact O-N 3.49Å; F107-M110 HydrophobicContact CD2-CE 3.58Å; F107-M110 HydrophobicContact CE1-CE 4.33Å; F107-M110 HydrophobicContact CE2-CE 3.28Å; F107-M110 HydrophobicContact CG-CE 4.21Å; F107-M110 HydrophobicContact CZ-CE 3.69Å; F107-M110 WeakPolarHBondContact O-CB 3.31Å; F107-M110 PolarHBondContact O-N 3.41Å; G108-M110 VanDerWaalsContact C-N 3.33Å; G108-M110 PolarHBondContact O-N 3.31Å; M110-T113 PolarHBondContact O-N 3.39Å; M110-I114 HydrophobicContact CG-CD1 3.51Å; M110-I114 HydrophobicContact CG-CG1 4.09Å; M110-I114 WeakPolarHBondContact O-CB 3.42Å; M110-I114 WeakPolarHBondContact O-CG1 3.38Å; M110-I114 PolarHBondContact O-N 3.09Å; M110-I114 HydrophobicContact SD-CD1 3.84Å; M110-L130 HydrophobicContact SD-CD1 4.29Å; M110-M133 HydrophobicContact SD-CE 3.37Å; M110-M133 WeakPolarHBondContact SD-CE 3.3Å; M110-F156 HydrophobicContact CE-CD1 4.03Å; M110-F156 HydrophobicContact CE-CE1 3.38Å; M110-F156 HydrophobicContact CE-CE2 4.39Å; M110-F156 HydrophobicContact CE-CZ 3.58Å
111E91.1Very high85.5Confident49 Ų4955.4 Ų55.423%0.22931%0.306CS..Hα-helixtrans-59.9-51.6-178.6172.3159-162.600111.4F107 G108 T113 I114 I115 F156F107-E111 PolarHBondContact O-N 3.22Å; G108-E111 PolarHBondContact O-N 3.23Å; G108-E111 VanDerWaalsContact O-N 3.14Å; E111-T113 VanDerWaalsContact C-N 3.32Å; E111-T113 PolarHBondContact O-N 3.48Å; E111-I114 PolarHBondContact O-N 2.81Å; E111-I115 HydrophobicContact CG-CD1 3.5Å; E111-I115 HydrophobicContact CG-CG1 4.33Å; E111-I115 WeakPolarHBondContact O-CB 3.45Å; E111-I115 VanDerWaalsContact O-CG1 3.24Å; E111-I115 WeakPolarHBondContact O-CG1 3.45Å; E111-I115 PolarHBondContact O-N 2.64Å; E111-F156 HydrophobicContact CB-CD2 3.93Å; E111-F156 HydrophobicContact CB-CE2 3.92Å; E111-F156 HydrophobicContact CG-CD2 3.61Å; E111-F156 HydrophobicContact CG-CE2 3.87Å
112E88.9Confident84.7Confident136 Ų13651.6 Ų51.664%0.63628%0.279SS*.Hα-helixtrans-56-45.8175.3-67.4177.9173.800112.2G108 T116G108-E112 PolarHBondContact O-N 3.46Å; G108-E112 VanDerWaalsContact O-N 3.13Å; E112-T116 PolarHBondContact O-N 2.85Å; E112-T116 PolarHBondContact O-OG1 2.87Å
113T86.2Confident84.1Confident22 Ų2251.2 Ų51.214%0.13528%0.276CS..Hα-helixtrans-64.3-45.4-178.9-59.50000111.9V74 F91 F109 M110 E111 L117V74-T113 HydrophobicContact CG2-CG2 3.75Å; F91-T113 HydrophobicContact CE2-CG2 4.1Å; F91-T113 HydrophobicContact CZ-CG2 4.05Å; F109-T113 WeakPolarHBondContact O-CB 3.49Å; F109-T113 PolarHBondContact O-N 3.21Å; F109-T113 PolarHBondContact O-OG1 2.99Å; M110-T113 PolarHBondContact O-N 3.39Å; E111-T113 VanDerWaalsContact C-N 3.32Å; E111-T113 PolarHBondContact O-N 3.48Å; T113-L117 HydrophobicContact CG2-CD1 4.47Å; T113-L117 WeakPolarHBondContact O-CG 3.29Å
114I85.4Confident83.5Confident1 Ų155 Ų551%0.00531%0.307CS..Hα-helixtrans-77.9-34.2-175.8-66.9-177.9000111.9F88 M110 E111 T116 L117 K118 F123 L130 F156 L160F88-I114 HydrophobicContact CD1-CD1 4.08Å; F88-I114 HydrophobicContact CE1-CD1 3.99Å; F88-I114 HydrophobicContact CE1-CG1 4.27Å; F88-I114 HydrophobicContact CE1-CG2 4.32Å; M110-I114 HydrophobicContact CG-CD1 3.51Å; M110-I114 HydrophobicContact CG-CG1 4.09Å; M110-I114 WeakPolarHBondContact O-CB 3.42Å; M110-I114 WeakPolarHBondContact O-CG1 3.38Å; M110-I114 PolarHBondContact O-N 3.09Å; M110-I114 HydrophobicContact SD-CD1 3.84Å; E111-I114 PolarHBondContact O-N 2.81Å; I114-T116 VanDerWaalsContact C-N 3.25Å; I114-T116 PolarHBondContact O-N 3.39Å; I114-L117 PolarHBondContact O-N 3.25Å; I114-K118 PolarHBondContact O-N 2.92Å; I114-F123 HydrophobicContact CG2-CD2 4.3Å; I114-F123 HydrophobicContact CG2-CE2 3.98Å; I114-L130 HydrophobicContact CD1-CD1 3.61Å; I114-L130 HydrophobicContact CD1-CD2 4.27Å; I114-L130 HydrophobicContact CG2-CD2 3.99Å; I114-F156 HydrophobicContact CB-CE2 4.44Å; I114-F156 HydrophobicContact CB-CZ 4.05Å; I114-F156 HydrophobicContact CD1-CZ 4.21Å; I114-F156 HydrophobicContact CG2-CZ 4.01Å; I114-L160 HydrophobicContact CG2-CD1 3.77Å; I114-L160 HydrophobicContact CG2-CD2 4.22Å
115I82.3Confident83Confident51 Ų5154.4 Ų54.426%0.26231%0.312SS..Hα-helixtrans-58.4-42.2173.3-73.1168.6000110.3E111 L117 K118 L160E111-I115 HydrophobicContact CG-CD1 3.5Å; E111-I115 HydrophobicContact CG-CG1 4.33Å; E111-I115 WeakPolarHBondContact O-CB 3.45Å; E111-I115 VanDerWaalsContact O-CG1 3.24Å; E111-I115 WeakPolarHBondContact O-CG1 3.45Å; E111-I115 PolarHBondContact O-N 2.64Å; I115-L117 PolarHBondContact O-N 3.42Å; I115-K118 WeakPolarHBondContact O-CB 3.46Å; I115-K118 PolarHBondContact O-N 3.5Å; I115-L160 HydrophobicContact CG1-CD2 4.44Å
116T79.5Confident82.7Confident115 Ų11549.4 Ų49.471%0.70629%0.289SS*.Hα-helixtrans-63.4-22.8177.2-53.60000112.9E112 I114E112-T116 PolarHBondContact O-N 2.85Å; E112-T116 PolarHBondContact O-OG1 2.87Å; I114-T116 VanDerWaalsContact C-N 3.25Å; I114-T116 PolarHBondContact O-N 3.39Å
117L77.4Confident82.4Confident5 Ų553.8 Ų53.83%0.02631%0.305CS..THydrogen-bonded Turntrans-94.1-4.9179.6-66.7170.6000114.4V74 L78 T113 I114 I115 D119 V120 L122V74-L117 HydrophobicContact CG1-CD1 3.81Å; V74-L117 HydrophobicContact CG1-CD2 3.75Å; V74-L117 HydrophobicContact CG1-CG 4.2Å; V74-L117 HydrophobicContact CG2-CD1 3.97Å; L78-L117 HydrophobicContact CD1-CD2 4.2Å; L78-L117 HydrophobicContact CD2-CD2 3.94Å; L78-L117 HydrophobicContact CG-CD2 4.27Å; T113-L117 HydrophobicContact CG2-CD1 4.47Å; T113-L117 WeakPolarHBondContact O-CG 3.29Å; I114-L117 PolarHBondContact O-N 3.25Å; I115-L117 PolarHBondContact O-N 3.42Å; L117-D119 VanDerWaalsContact C-N 3.3Å; L117-D119 PolarHBondContact O-N 3.48Å; L117-V120 HydrophobicContact CD2-CG2 4.29Å; L117-V120 WeakPolarHBondContact O-CB 3.34Å; L117-V120 PolarHBondContact O-N 3.33Å; L117-L122 HydrophobicContact CD1-CD2 4.04Å; L117-L122 HydrophobicContact CD2-CD2 3.91Å; L117-L122 HydrophobicContact CG-CD2 4.45Å
118K74Confident82.1Confident85 Ų8558.4 Ų58.437%0.3733%0.33SS..THydrogen-bonded Turntrans-56.9-39.7-171.1-173.3175.6-179175.40113.7I114 I115 V120 R159 L160I114-K118 PolarHBondContact O-N 2.92Å; I115-K118 WeakPolarHBondContact O-CB 3.46Å; I115-K118 PolarHBondContact O-N 3.5Å; K118-V120 VanDerWaalsContact C-N 3.32Å; K118-R159 PolarHBondContact NZ-O 3.3Å; K118-L160 HydrophobicContact CD-CD2 4.24Å; K118-L160 WeakPolarHBondContact CE-O 3.43Å; K118-L160 PolarHBondContact NZ-O 3.41Å
119D68Low82Confident157 Ų15757.3 Ų57.384%0.8432%0.317SS*.THydrogen-bonded Turntrans-86.9-1.8-177.8-61-39.7000113.6L117L117-D119 VanDerWaalsContact C-N 3.3Å; L117-D119 PolarHBondContact O-N 3.48Å
120V73.6Confident82Confident46 Ų4655.9 Ų55.928%0.27931%0.31SS..SBendtrans-89139.4179.7-1720000109.6L78 L117 K118 L122 F123L78-V120 HydrophobicContact CD2-CB 4.44Å; L78-V120 HydrophobicContact CD2-CG1 3.62Å; L78-V120 HydrophobicContact CD2-CG2 4.15Å; L117-V120 HydrophobicContact CD2-CG2 4.29Å; L117-V120 WeakPolarHBondContact O-CB 3.34Å; L117-V120 PolarHBondContact O-N 3.33Å; K118-V120 VanDerWaalsContact C-N 3.32Å; V120-L122 HydrophobicContact CB-CB 4.15Å; V120-L122 HydrophobicContact CG1-CB 3.72Å; V120-L122 PolarHBondContact O-N 3.27Å; V120-F123 PolarHBondContact O-N 2.84Å
121P72.7Confident82Confident114 Ų11457.2 Ų57.274%0.7432%0.317SS*.THydrogen-bonded Turntrans-51.1-21.2173.8-29.635.9000115.3F123 A124P121-F123 VanDerWaalsContact C-N 3.31Å; P121-F123 PolarHBondContact O-N 3.4Å; P121-A124 PolarHBondContact O-N 3.04Å
122L73.3Confident82.1Confident11 Ų1161.7 Ų61.76%0.05833%0.332CS..Hα-helixtrans-51.9-43.6171.8-165.777.5000113.1A77 A84 F88 L117 V120 A124 S125 G126A77-L122 HydrophobicContact CB-CD1 3.64Å; A77-L122 HydrophobicContact CB-CD2 4.21Å; A84-L122 HydrophobicContact CB-CD1 3.79Å; A84-L122 VanDerWaalsContact O-CD1 3.31Å; A84-L122 WeakPolarHBondContact O-CD1 3.48Å; F88-L122 HydrophobicContact CE2-CG 4.4Å; L117-L122 HydrophobicContact CD1-CD2 4.04Å; L117-L122 HydrophobicContact CD2-CD2 3.91Å; L117-L122 HydrophobicContact CG-CD2 4.45Å; V120-L122 HydrophobicContact CB-CB 4.15Å; V120-L122 HydrophobicContact CG1-CB 3.72Å; V120-L122 PolarHBondContact O-N 3.27Å; L122-A124 VanDerWaalsContact C-N 3.31Å; L122-A124 PolarHBondContact O-N 3.2Å; L122-S125 PolarHBondContact O-N 3.01Å; L122-S125 VanDerWaalsContact O-N 3.14Å; L122-G126 PolarHBondContact O-N 3.46Å
123F79.2Confident82.3Confident22 Ų2255.5 Ų55.510%0.09630%0.303CS..Hα-helixtrans-61.9-38-173.8-176.4-101.1000112.7F88 I114 V120 P121 S125 G126 R127 L130 L160 F161F88-F123 HydrophobicContact CE1-CD2 4.47Å; F88-F123 HydrophobicContact CZ-CD2 4.32Å; I114-F123 HydrophobicContact CG2-CD2 4.3Å; I114-F123 HydrophobicContact CG2-CE2 3.98Å; V120-F123 PolarHBondContact O-N 2.84Å; P121-F123 VanDerWaalsContact C-N 3.31Å; P121-F123 PolarHBondContact O-N 3.4Å; F123-S125 PolarHBondContact O-N 3.35Å; F123-G126 PolarHBondContact O-N 3.3Å; F123-G126 VanDerWaalsContact O-N 3.11Å; F123-R127 PolarHBondContact O-N 2.61Å; F123-L130 HydrophobicContact CE2-CD2 3.9Å; F123-L130 HydrophobicContact CZ-CD2 4.41Å; F123-L160 HydrophobicContact CE2-CD1 4.08Å; F123-L160 HydrophobicContact CE2-CD2 4.25Å; F123-L160 HydrophobicContact CZ-CB 4.03Å; F123-L160 HydrophobicContact CZ-CD1 4.25Å; F123-L160 HydrophobicContact CZ-CD2 4.38Å; F123-L160 HydrophobicContact CZ-CG 4.48Å; F123-F161 HydrophobicContact CE1-CD1 4.39Å; F123-F161 AromaticContact CE1-CE1 3.85Å; F123-F161 HydrophobicContact CE1-CE1 3.85Å; F123-F161 HydrophobicContact CZ-CD1 4.35Å; F123-F161 AromaticContact CZ-CE1 3.58Å; F123-F161 HydrophobicContact CZ-CE1 3.58Å; F123-F161 HydrophobicContact CZ-CZ 4.14Å
124A80.5Confident82.6Confident81 Ų8154.5 Ų54.567%0.66930%0.297SS*.Hα-helixtrans-59.7-33.7178.500000112.8P121 L122P121-A124 PolarHBondContact O-N 3.04Å; L122-A124 VanDerWaalsContact C-N 3.31Å; L122-A124 PolarHBondContact O-N 3.2Å
125S81Confident83Confident70 Ų7057.7 Ų57.749%0.4931%0.314SS..Hα-helixtrans-80.1-32.9176.5-59.60000112.6L122 F123L122-S125 PolarHBondContact O-N 3.01Å; L122-S125 VanDerWaalsContact O-N 3.14Å; F123-S125 PolarHBondContact O-N 3.35Å
126G82.9Confident83.5Confident0 Ų057.9 Ų57.90%032%0.316CS..Hα-helixtrans-78.2-26.6-179.200000115.3F88 L122 F123 N128 T129 L130F88-G126 VanDerWaalsContact CD2-CA 3.45Å; L122-G126 PolarHBondContact O-N 3.46Å; F123-G126 PolarHBondContact O-N 3.3Å; F123-G126 VanDerWaalsContact O-N 3.11Å; G126-N128 PolarHBondContact O-N 3.39Å; G126-N128 VanDerWaalsContact O-N 3.14Å; G126-T129 WeakPolarHBondContact O-CA 3.48Å; G126-T129 WeakPolarHBondContact O-CB 3.44Å; G126-T129 PolarHBondContact O-N 3.11Å; G126-L130 PolarHBondContact O-N 3.27Å
127R86.4Confident84.2Confident95 Ų9552.6 Ų52.636%0.35828%0.283SS..Hα-helixtrans-43.1-51.9-172.1172.6167.383.9176.512.1115F123 T129 L130 L131 F161 E165F123-R127 PolarHBondContact O-N 2.61Å; R127-T129 VanDerWaalsContact C-N 3.27Å; R127-T129 PolarHBondContact O-N 2.66Å; R127-L130 WeakPolarHBondContact O-CB 3.49Å; R127-L130 PolarHBondContact O-N 2.69Å; R127-L131 HydrophobicContact CG-CD1 3.89Å; R127-L131 WeakPolarHBondContact O-CB 3.16Å; R127-L131 PolarHBondContact O-N 3.25Å; R127-F161 HydrophobicContact CB-CE1 4.22Å; R127-F161 HydrophobicContact CG-CD1 4.29Å; R127-F161 HydrophobicContact CG-CE1 3.38Å; R127-F161 HydrophobicContact CG-CZ 3.76Å; R127-E165 WeakPolarHBondContact CD-OE1 3.49Å; R127-E165 WeakPolarHBondContact CD-OE2 3.46Å; R127-E165 IonicContact CZ-OE1 2.88Å; R127-E165 IonicContact CZ-OE2 3.16Å; R127-E165 IonicContact NE-OE1 3.56Å; R127-E165 IonicContact NE-OE2 3.46Å; R127-E165 IonicContact NH1-OE1 3.84Å; R127-E165 IonicContact NH1-OE2 3.41Å; R127-E165 PolarHBondContact NH1-OE2 3.2Å
128N88.1Confident84.9Confident100 Ų10053.9 Ų53.954%0.53529%0.29SS..Hα-helixtrans-71.4-23-175.7-68-13000112.6G126 R132G126-N128 PolarHBondContact O-N 3.39Å; G126-N128 VanDerWaalsContact O-N 3.14Å; N128-R132 WeakPolarHBondContact O-CG 3.14Å; N128-R132 PolarHBondContact O-N 2.87Å; N128-R132 PolarHBondContact O-NE 2.82Å
129T89.6Confident85.7Confident13 Ų1357.9 Ų57.98%0.0830%0.302CS..Hα-helixtrans-77.6-43.9172.5-58.20000110.3F88 L89 G126 R127 L131 R132 M133F88-T129 HydrophobicContact CB-CG2 3.83Å; L89-T129 HydrophobicContact CD2-CG2 3.76Å; L89-T129 HydrophobicContact CG-CG2 4.23Å; G126-T129 WeakPolarHBondContact O-CA 3.48Å; G126-T129 WeakPolarHBondContact O-CB 3.44Å; G126-T129 PolarHBondContact O-N 3.11Å; R127-T129 VanDerWaalsContact C-N 3.27Å; R127-T129 PolarHBondContact O-N 2.66Å; T129-L131 PolarHBondContact O-N 3.34Å; T129-R132 PolarHBondContact O-N 2.82Å; T129-R132 PolarHBondContact OG1-NH2 2.82Å; T129-M133 WeakPolarHBondContact O-CB 3.37Å; T129-M133 PolarHBondContact O-N 2.91Å
130L91.2Very high86.9Confident0 Ų054.7 Ų54.70%028%0.279CS..Hα-helixtrans-57.4-49.1173.8-175.558.1000112.2F88 M110 I114 F123 G126 R127 R132 M133 C134 F156 L160 F161F88-L130 HydrophobicContact CD1-CB 4.05Å; F88-L130 HydrophobicContact CE1-CB 4.48Å; F88-L130 HydrophobicContact CE1-CD2 4.33Å; M110-L130 HydrophobicContact SD-CD1 4.29Å; I114-L130 HydrophobicContact CD1-CD1 3.61Å; I114-L130 HydrophobicContact CD1-CD2 4.27Å; I114-L130 HydrophobicContact CG2-CD2 3.99Å; F123-L130 HydrophobicContact CE2-CD2 3.9Å; F123-L130 HydrophobicContact CZ-CD2 4.41Å; G126-L130 PolarHBondContact O-N 3.27Å; R127-L130 WeakPolarHBondContact O-CB 3.49Å; R127-L130 PolarHBondContact O-N 2.69Å; L130-R132 VanDerWaalsContact C-N 3.32Å; L130-R132 PolarHBondContact O-N 2.61Å; L130-M133 HydrophobicContact CD1-CE 3.36Å; L130-M133 PolarHBondContact O-N 2.94Å; L130-C134 PolarHBondContact O-N 3.39Å; L130-C134 PolarHBondContact O-SG 3.37Å; L130-C134 VanDerWaalsContact O-SG 3.4Å; L130-F156 HydrophobicContact CD1-CE1 3.99Å; L130-F156 HydrophobicContact CD1-CZ 4.45Å; L130-F156 HydrophobicContact CD2-CE1 4.4Å; L130-L160 HydrophobicContact CD2-CD1 3.51Å; L130-F161 HydrophobicContact CD2-CZ 4.43Å
131L91.3Very high87.7Confident28 Ų2853 Ų5315%0.14727%0.268CS..Hα-helixtrans-58.5-40.7175.9-80.9166.7000112.5R127 T129 N135 L157 F161R127-L131 HydrophobicContact CG-CD1 3.89Å; R127-L131 WeakPolarHBondContact O-CB 3.16Å; R127-L131 PolarHBondContact O-N 3.25Å; T129-L131 PolarHBondContact O-N 3.34Å; L131-N135 WeakPolarHBondContact O-CB 3.31Å; L131-N135 PolarHBondContact O-N 3.18Å; L131-N135 VanDerWaalsContact O-N 3.16Å; L131-N135 PolarHBondContact O-ND2 3.31Å; L131-L157 HydrophobicContact CD2-CD2 4.2Å; L131-F161 HydrophobicContact CD1-CE2 4.32Å; L131-F161 HydrophobicContact CD1-CZ 4.26Å; L131-F161 HydrophobicContact CD2-CD2 4.14Å; L131-F161 HydrophobicContact CD2-CE2 3.53Å; L131-F161 HydrophobicContact CD2-CZ 4.19Å; L131-F161 HydrophobicContact CG-CE2 3.75Å; L131-F161 HydrophobicContact CG-CZ 3.88Å
132R92Very high88.4Confident144 Ų14449.2 Ų49.254%0.54325%0.245SC..Hα-helixtrans-66.2-53.3176.9-77.4177-68.8157.30.9110.8N128 T129 L130 C134 N135 D136N128-R132 WeakPolarHBondContact O-CG 3.14Å; N128-R132 PolarHBondContact O-N 2.87Å; N128-R132 PolarHBondContact O-NE 2.82Å; T129-R132 PolarHBondContact O-N 2.82Å; T129-R132 PolarHBondContact OG1-NH2 2.82Å; L130-R132 VanDerWaalsContact C-N 3.32Å; L130-R132 PolarHBondContact O-N 2.61Å; R132-C134 PolarHBondContact O-N 3.48Å; R132-N135 CarbonylContact O-C 3.19Å; R132-N135 WeakPolarHBondContact O-CA 3.47Å; R132-N135 WeakPolarHBondContact O-CB 3.46Å; R132-N135 PolarHBondContact O-N 3.4Å; R132-D136 PolarHBondContact O-N 2.96Å; R132-D136 VanDerWaalsContact O-OD2 3.08Å
133M93.3Very high88.5Confident5 Ų555.7 Ų55.73%0.02527%0.272CS..Hα-helixtrans-52.5-48178.6-179.8179.673.400113F91 A92 F95 M110 T129 L130 D136 L137F91-M133 VanDerWaalsContact C-SD 3.5Å; F91-M133 HydrophobicContact CB-CE 4.13Å; F91-M133 HydrophobicContact CB-SD 3.67Å; A92-M133 WeakPolarHBondContact CA-SD 3.41Å; A92-M133 HydrophobicContact CB-CB 4.23Å; A92-M133 HydrophobicContact CB-CG 3.98Å; A92-M133 HydrophobicContact CB-SD 3.77Å; A92-M133 PolarHBondContact N-SD 3.5Å; F95-M133 HydrophobicContact CD2-CE 4.31Å; F95-M133 HydrophobicContact CD2-CG 3.81Å; F95-M133 HydrophobicContact CD2-SD 3.57Å; F95-M133 VanDerWaalsContact CD2-SD 3.57Å; F95-M133 HydrophobicContact CE2-CE 4.06Å; F95-M133 HydrophobicContact CE2-CG 4.47Å; F95-M133 HydrophobicContact CE2-SD 3.86Å; M110-M133 HydrophobicContact SD-CE 3.37Å; M110-M133 WeakPolarHBondContact SD-CE 3.3Å; T129-M133 WeakPolarHBondContact O-CB 3.37Å; T129-M133 PolarHBondContact O-N 2.91Å; L130-M133 HydrophobicContact CD1-CE 3.36Å; L130-M133 PolarHBondContact O-N 2.94Å; M133-D136 PolarHBondContact O-N 2.84Å; M133-L137 WeakPolarHBondContact O-CB 3.3Å; M133-L137 PolarHBondContact O-N 3.23Å
134C93.8Very high88.5Confident1 Ų158.3 Ų58.31%0.00729%0.293CS..Hα-helixtrans-68.1-34.8177.4-64.70000112.7L130 R132 L137 L138 I153 L157L130-C134 PolarHBondContact O-N 3.39Å; L130-C134 PolarHBondContact O-SG 3.37Å; L130-C134 VanDerWaalsContact O-SG 3.4Å; R132-C134 PolarHBondContact O-N 3.48Å; C134-L137 PolarHBondContact O-N 3.41Å; C134-L138 WeakPolarHBondContact O-CB 3.35Å; C134-L138 VanDerWaalsContact O-CG 3.31Å; C134-L138 WeakPolarHBondContact O-CG 3.31Å; C134-L138 PolarHBondContact O-N 3.08Å; C134-I153 HydrophobicContact CB-CG2 3.83Å; C134-L157 HydrophobicContact CB-CD1 3.9Å; C134-L157 HydrophobicContact CB-CD2 3.9Å; C134-L157 HydrophobicContact CB-CG 4.2Å
135N92.6Very high88.6Confident69 Ų6961.8 Ų61.837%0.36930%0.296SS..Hα-helixtrans-71-34.1174.3-80.5-55.3000112.9L131 R132 R139L131-N135 WeakPolarHBondContact O-CB 3.31Å; L131-N135 PolarHBondContact O-N 3.18Å; L131-N135 VanDerWaalsContact O-N 3.16Å; L131-N135 PolarHBondContact O-ND2 3.31Å; R132-N135 CarbonylContact O-C 3.19Å; R132-N135 WeakPolarHBondContact O-CA 3.47Å; R132-N135 WeakPolarHBondContact O-CB 3.46Å; R132-N135 PolarHBondContact O-N 3.4Å; N135-R139 WeakPolarHBondContact O-CG 3.15Å; N135-R139 PolarHBondContact O-N 3.27Å
136D93.4Very high88.9Confident55 Ų5560.1 Ų60.129%0.29428%0.281SS..Hα-helixtrans-66.7-42.1172-74.3-48.9000111R132 M133 R139 R140R132-D136 PolarHBondContact O-N 2.96Å; R132-D136 VanDerWaalsContact O-OD2 3.08Å; M133-D136 PolarHBondContact O-N 2.84Å; D136-R139 WeakPolarHBondContact O-CB 3.42Å; D136-R139 PolarHBondContact O-N 2.96Å; D136-R139 IonicContact OD1-CZ 3.97Å; D136-R139 IonicContact OD1-NE 3.46Å; D136-R139 PolarHBondContact OD1-NE 3.32Å; D136-R139 IonicContact OD1-NH2 3.79Å; D136-R139 PolarHBondContact OD1-NH2 2.71Å; D136-R139 IonicContact OD2-NH2 3.83Å; D136-R140 WeakPolarHBondContact O-CG 3.33Å; D136-R140 PolarHBondContact O-N 2.78Å; D136-R140 VanDerWaalsContact O-N 3.14Å
137L93.5Very high89.2Confident3 Ų363.3 Ų63.32%0.01630%0.301CS..Hα-helixtrans-61.7-49.4173.5-170.858.4000111.2F95 C103 F107 M133 C134 R139 R140 L141 F149 I153F95-L137 HydrophobicContact CD1-CD2 4.48Å; C103-L137 HydrophobicContact CB-CD1 4.08Å; F107-L137 HydrophobicContact CD2-CD2 4.15Å; M133-L137 WeakPolarHBondContact O-CB 3.3Å; M133-L137 PolarHBondContact O-N 3.23Å; C134-L137 PolarHBondContact O-N 3.41Å; L137-R139 PolarHBondContact O-N 3.16Å; L137-R140 PolarHBondContact O-N 3.31Å; L137-L141 HydrophobicContact CG-CD1 4.45Å; L137-L141 WeakPolarHBondContact O-CG 3.22Å; L137-L141 PolarHBondContact O-N 3.43Å; L137-L141 VanDerWaalsContact O-N 3.11Å; L137-F149 HydrophobicContact CD1-CE1 4.38Å; L137-F149 HydrophobicContact CD2-CE1 4.2Å; L137-F149 HydrophobicContact CD2-CZ 3.84Å; L137-F149 HydrophobicContact CG-CE1 4.42Å; L137-I153 HydrophobicContact CB-CD1 4.48Å; L137-I153 HydrophobicContact CD2-CD1 3.64Å; L137-I153 HydrophobicContact CD2-CG1 4.26Å; L137-I153 HydrophobicContact CG-CD1 3.81Å
138L92.9Very high89.4Confident32 Ų3263.5 Ų63.517%0.16831%0.312CS..Hα-helixtrans-59.5-27.5175.1-74.8170.8000113.9C134 C150 I153 Q154C134-L138 WeakPolarHBondContact O-CB 3.35Å; C134-L138 VanDerWaalsContact O-CG 3.31Å; C134-L138 WeakPolarHBondContact O-CG 3.31Å; C134-L138 PolarHBondContact O-N 3.08Å; L138-C150 HydrophobicContact CD2-CB 3.94Å; L138-I153 HydrophobicContact CD1-CG2 4.01Å; L138-I153 HydrophobicContact CD2-CB 4.18Å; L138-I153 HydrophobicContact CD2-CD1 4.09Å; L138-I153 HydrophobicContact CD2-CG2 4.2Å; L138-I153 HydrophobicContact CG-CB 4.43Å; L138-I153 HydrophobicContact CG-CD1 4.38Å; L138-I153 HydrophobicContact CG-CG2 3.91Å; L138-Q154 HydrophobicContact CD1-CG 4.39Å
139R91.2Very high89.6Confident169 Ų16958.9 Ų58.964%0.63829%0.287SS*.Hα-helixtrans-73.8-30.9172-83.1-174.5-75.5-85.96.8113.3N135 D136 L137N135-R139 WeakPolarHBondContact O-CG 3.15Å; N135-R139 PolarHBondContact O-N 3.27Å; D136-R139 WeakPolarHBondContact O-CB 3.42Å; D136-R139 PolarHBondContact O-N 2.96Å; D136-R139 IonicContact OD1-CZ 3.97Å; D136-R139 IonicContact OD1-NE 3.46Å; D136-R139 PolarHBondContact OD1-NE 3.32Å; D136-R139 IonicContact OD1-NH2 3.79Å; D136-R139 PolarHBondContact OD1-NH2 2.71Å; D136-R139 IonicContact OD2-NH2 3.83Å; L137-R139 PolarHBondContact O-N 3.16Å
140R92.2Very high89.7Confident90 Ų9059 Ų5934%0.3429%0.289SS..Hα-helixtrans-81-22.5179.1-69.3167.866.8-135.89.5113.1F95 K98 D136 L137F95-R140 VanDerWaalsContact O-CZ 3.22Å; F95-R140 PolarHBondContact O-NH1 3.24Å; F95-R140 PolarHBondContact O-NH2 2.97Å; K98-R140 PolarHBondContact O-NH2 3.01Å; D136-R140 WeakPolarHBondContact O-CG 3.33Å; D136-R140 PolarHBondContact O-N 2.78Å; D136-R140 VanDerWaalsContact O-N 3.14Å; L137-R140 PolarHBondContact O-N 3.31Å
141L91.1Very high89.8Confident10 Ų1060.3 Ų60.35%0.05230%0.302CS..SBendtrans-79.3140.7-177.7-66.8176.4000113.2I100 L137 K143 N146 F149 I153I100-L141 HydrophobicContact CB-CD2 4.42Å; I100-L141 HydrophobicContact CD1-CD2 4.17Å; I100-L141 HydrophobicContact CG1-CD2 4.13Å; I100-L141 HydrophobicContact CG2-CD2 3.47Å; I100-L141 VanDerWaalsContact CG2-CD2 3.47Å; L137-L141 HydrophobicContact CG-CD1 4.45Å; L137-L141 WeakPolarHBondContact O-CG 3.22Å; L137-L141 PolarHBondContact O-N 3.43Å; L137-L141 VanDerWaalsContact O-N 3.11Å; L141-K143 PolarHBondContact O-N 3.03Å; L141-N146 HydrophobicContact CB-CB 4.22Å; L141-N146 HydrophobicContact CD2-CB 4.04Å; L141-N146 WeakPolarHBondContact CD2-ND2 3.05Å; L141-F149 HydrophobicContact CD1-CD1 3.51Å; L141-F149 HydrophobicContact CD1-CE1 3.95Å; L141-F149 HydrophobicContact CD1-CG 4.15Å; L141-F149 HydrophobicContact CD2-CD1 3.57Å; L141-F149 HydrophobicContact CD2-CE1 3.9Å; L141-F149 HydrophobicContact CG-CD1 4.2Å; L141-I153 HydrophobicContact CD1-CD1 3.48Å; L141-I153 VanDerWaalsContact CD1-CD1 3.48Å
142S86Confident89.9Confident36 Ų3662.8 Ų62.825%0.25231%0.313SS..  trans-68.4118.1170.7175.10000110.6S144 Q145 N146S142-S144 PolarHBondContact O-N 3.41Å; S142-S144 PolarHBondContact OG-N 3.48Å; S142-S144 PolarHBondContact OG-OG 3.16Å; S142-S144 VanDerWaalsContact OG-OG 3.09Å; S142-Q145 PolarHBondContact OG-N 2.98Å; S142-N146 PolarHBondContact O-N 3.18Å
143K76.5Confident90Very high146 Ų14655.9 Ų55.964%0.63529%0.287SS*.THydrogen-bonded Turntrans-67.10.8176.5-64.6-177.8-178.9174.30113.9L141 E178L141-K143 PolarHBondContact O-N 3.03Å; K143-E178 IonicContact NZ-OE2 3.51Å; K143-E178 PolarHBondContact NZ-OE2 3.05Å
144S78.7Confident90Very high78 Ų7861 Ų6155%0.54531%0.311SS..THydrogen-bonded Turntrans-114.2-39.5175.953.90000113.8S142S142-S144 PolarHBondContact O-N 3.41Å; S142-S144 PolarHBondContact OG-N 3.48Å; S142-S144 PolarHBondContact OG-OG 3.16Å; S142-S144 VanDerWaalsContact OG-OG 3.09Å
145Q83.5Confident89.9Confident153 Ų15367 Ų6772%0.71534%0.342SS*.THydrogen-bonded Turntrans-91.8-43.6-178.1-70.1164.1-31.900112S142 T147S142-Q145 PolarHBondContact OG-N 2.98Å; Q145-T147 VanDerWaalsContact C-N 3.28Å; Q145-T147 PolarHBondContact O-N 3.5Å
146N86.8Confident89.9Confident36 Ų3663.7 Ų63.719%0.19332%0.324CS..SBendtrans-98.235.2-168.7-52.6-11.4000111.2L141 S142 V148 F149 C150L141-N146 HydrophobicContact CB-CB 4.22Å; L141-N146 HydrophobicContact CD2-CB 4.04Å; L141-N146 WeakPolarHBondContact CD2-ND2 3.05Å; S142-N146 PolarHBondContact O-N 3.18Å; N146-V148 PolarHBondContact O-N 3.44Å; N146-F149 PolarHBondContact O-N 3.2Å; N146-C150 WeakPolarHBondContact O-CB 3.38Å; N146-C150 PolarHBondContact O-N 2.88Å; N146-C150 PolarHBondContact O-SG 3.4Å
147T88.9Confident89.8Confident66 Ų6662.2 Ų62.241%0.40532%0.316SS..Hα-helixtrans-64.8-39.1-17351.10000112.2Q145 C150 G151Q145-T147 VanDerWaalsContact C-N 3.28Å; Q145-T147 PolarHBondContact O-N 3.5Å; T147-C150 PolarHBondContact O-N 3.29Å; T147-G151 PolarHBondContact O-N 3.42Å
148V90.3Very high89.6Confident100 Ų10066.5 Ų66.561%0.60634%0.343SS*.Hα-helixtrans-60.7-51.8175.6-179.90000110.5N146 C150 G151 Q152N146-V148 PolarHBondContact O-N 3.44Å; V148-C150 PolarHBondContact O-N 2.81Å; V148-G151 CarbonylContact O-C 3.6Å; V148-G151 WeakPolarHBondContact O-CA 3.14Å; V148-G151 PolarHBondContact O-N 2.97Å; V148-Q152 PolarHBondContact O-N 2.86Å
149F92.8Very high89.3Confident2 Ų272.2 Ų72.21%0.00936%0.362CS..Hα-helixtrans-64.9-37.7179.2-173.9-145.3000112.5C103 E104 F107 L137 L141 N146 G151 Q152 I153C103-F149 HydrophobicContact CB-CE1 4.44Å; E104-F149 HydrophobicContact CB-CD1 4.32Å; E104-F149 HydrophobicContact CB-CE1 4.16Å; E104-F149 HydrophobicContact CB-CE2 4.36Å; E104-F149 HydrophobicContact CB-CZ 4.18Å; E104-F149 HydrophobicContact CG-CD1 4.42Å; E104-F149 HydrophobicContact CG-CD2 4.04Å; E104-F149 HydrophobicContact CG-CE2 4.27Å; E104-F149 HydrophobicContact CG-CG 4.14Å; F107-F149 HydrophobicContact CB-CE2 3.57Å; F107-F149 HydrophobicContact CB-CZ 3.9Å; F107-F149 HydrophobicContact CD1-CE2 4.08Å; F107-F149 AromaticContact CD2-CE2 3.97Å; F107-F149 HydrophobicContact CD2-CE2 3.97Å; F107-F149 HydrophobicContact CD2-CZ 4.21Å; F107-F149 AromaticContact CG-CE2 3.6Å; F107-F149 HydrophobicContact CG-CE2 3.6Å; F107-F149 HydrophobicContact CG-CZ 4.14Å; L137-F149 HydrophobicContact CD1-CE1 4.38Å; L137-F149 HydrophobicContact CD2-CE1 4.2Å; L137-F149 HydrophobicContact CD2-CZ 3.84Å; L137-F149 HydrophobicContact CG-CE1 4.42Å; L141-F149 HydrophobicContact CD1-CD1 3.51Å; L141-F149 HydrophobicContact CD1-CE1 3.95Å; L141-F149 HydrophobicContact CD1-CG 4.15Å; L141-F149 HydrophobicContact CD2-CD1 3.57Å; L141-F149 HydrophobicContact CD2-CE1 3.9Å; L141-F149 HydrophobicContact CG-CD1 4.2Å; N146-F149 PolarHBondContact O-N 3.2Å; F149-G151 VanDerWaalsContact C-N 3.26Å; F149-G151 PolarHBondContact O-N 3.23Å; F149-Q152 HydrophobicContact CD2-CB 4.49Å; F149-Q152 PolarHBondContact O-N 3.31Å; F149-I153 HydrophobicContact CD1-CD1 4.39Å; F149-I153 HydrophobicContact CD2-CD1 4.27Å; F149-I153 HydrophobicContact CD2-CG1 4.28Å; F149-I153 HydrophobicContact CE1-CD1 4.24Å; F149-I153 HydrophobicContact CE2-CD1 4.11Å; F149-I153 HydrophobicContact CE2-CG1 4.06Å; F149-I153 HydrophobicContact CG-CD1 4.39Å; F149-I153 HydrophobicContact CZ-CD1 4.1Å; F149-I153 HydrophobicContact CZ-CG1 4.46Å; F149-I153 WeakPolarHBondContact O-CG1 3.43Å; F149-I153 PolarHBondContact O-N 3.08Å
150C92.7Very high89.1Confident16 Ų1664.3 Ų64.311%0.10833%0.332CS..Hα-helixtrans-58.2-39.6169.9-68.20000112.2L138 N146 T147 V148 Q154L138-C150 HydrophobicContact CD2-CB 3.94Å; N146-C150 WeakPolarHBondContact O-CB 3.38Å; N146-C150 PolarHBondContact O-N 2.88Å; N146-C150 PolarHBondContact O-SG 3.4Å; T147-C150 PolarHBondContact O-N 3.29Å; V148-C150 PolarHBondContact O-N 2.81Å; C150-Q154 WeakPolarHBondContact O-CG 3.44Å; C150-Q154 PolarHBondContact O-N 2.99Å
151G92.7Very high88.7Confident27 Ų2760.9 Ų60.928%0.27832%0.32SS..Hα-helixtrans-65.4-45.6175.200000112.7T147 V148 F149 I153 Q154 L155T147-G151 PolarHBondContact O-N 3.42Å; V148-G151 CarbonylContact O-C 3.6Å; V148-G151 WeakPolarHBondContact O-CA 3.14Å; V148-G151 PolarHBondContact O-N 2.97Å; F149-G151 VanDerWaalsContact C-N 3.26Å; F149-G151 PolarHBondContact O-N 3.23Å; G151-I153 PolarHBondContact O-N 2.94Å; G151-Q154 PolarHBondContact O-N 2.92Å; G151-L155 WeakPolarHBondContact O-CG 3.44Å; G151-L155 PolarHBondContact O-N 3.4Å
152Q94Very high88.3Confident80 Ų8062.9 Ų62.937%0.37433%0.334SS..Hα-helixtrans-56.6-47175-70.4174.1-8.100111.5V148 F149 Q154 L155 F156V148-Q152 PolarHBondContact O-N 2.86Å; F149-Q152 HydrophobicContact CD2-CB 4.49Å; F149-Q152 PolarHBondContact O-N 3.31Å; Q152-Q154 VanDerWaalsContact C-N 3.33Å; Q152-Q154 PolarHBondContact O-N 3.05Å; Q152-L155 PolarHBondContact O-N 2.99Å; Q152-F156 WeakPolarHBondContact O-CB 3.45Å; Q152-F156 PolarHBondContact O-N 3.06Å
153I93.8Very high88.1Confident0 Ų066.1 Ų66.10%035%0.348CS..Hα-helixtrans-59.7-42.4177-62.9159.9000111.6F107 C134 L137 L138 L141 F149 G151 L157F107-I153 HydrophobicContact CD2-CG1 4.14Å; F107-I153 HydrophobicContact CE1-CG1 4.46Å; F107-I153 HydrophobicContact CE2-CB 4.34Å; F107-I153 HydrophobicContact CE2-CG1 3.61Å; F107-I153 HydrophobicContact CE2-CG2 4.45Å; F107-I153 HydrophobicContact CZ-CB 4.21Å; F107-I153 HydrophobicContact CZ-CG1 3.8Å; C134-I153 HydrophobicContact CB-CG2 3.83Å; L137-I153 HydrophobicContact CB-CD1 4.48Å; L137-I153 HydrophobicContact CD2-CD1 3.64Å; L137-I153 HydrophobicContact CD2-CG1 4.26Å; L137-I153 HydrophobicContact CG-CD1 3.81Å; L138-I153 HydrophobicContact CD1-CG2 4.01Å; L138-I153 HydrophobicContact CD2-CB 4.18Å; L138-I153 HydrophobicContact CD2-CD1 4.09Å; L138-I153 HydrophobicContact CD2-CG2 4.2Å; L138-I153 HydrophobicContact CG-CB 4.43Å; L138-I153 HydrophobicContact CG-CD1 4.38Å; L138-I153 HydrophobicContact CG-CG2 3.91Å; L141-I153 HydrophobicContact CD1-CD1 3.48Å; L141-I153 VanDerWaalsContact CD1-CD1 3.48Å; F149-I153 HydrophobicContact CD1-CD1 4.39Å; F149-I153 HydrophobicContact CD2-CD1 4.27Å; F149-I153 HydrophobicContact CD2-CG1 4.28Å; F149-I153 HydrophobicContact CE1-CD1 4.24Å; F149-I153 HydrophobicContact CE2-CD1 4.11Å; F149-I153 HydrophobicContact CE2-CG1 4.06Å; F149-I153 HydrophobicContact CG-CD1 4.39Å; F149-I153 HydrophobicContact CZ-CD1 4.1Å; F149-I153 HydrophobicContact CZ-CG1 4.46Å; F149-I153 WeakPolarHBondContact O-CG1 3.43Å; F149-I153 PolarHBondContact O-N 3.08Å; G151-I153 PolarHBondContact O-N 2.94Å; I153-L157 HydrophobicContact CG2-CD1 4.22Å; I153-L157 VanDerWaalsContact O-CG 3.28Å; I153-L157 WeakPolarHBondContact O-CG 3.43Å; I153-L157 PolarHBondContact O-N 2.75Å
154Q92.4Very high88.4Confident112 Ų11261.6 Ų61.652%0.52333%0.331SS..Hα-helixtrans-69.2-39.1178.9-71.6176.11600112.6L138 C150 G151 Q152 L157 T158L138-Q154 HydrophobicContact CD1-CG 4.39Å; C150-Q154 WeakPolarHBondContact O-CG 3.44Å; C150-Q154 PolarHBondContact O-N 2.99Å; G151-Q154 PolarHBondContact O-N 2.92Å; Q152-Q154 VanDerWaalsContact C-N 3.33Å; Q152-Q154 PolarHBondContact O-N 3.05Å; Q154-L157 PolarHBondContact O-N 3.44Å; Q154-T158 WeakPolarHBondContact O-CB 3.39Å; Q154-T158 PolarHBondContact O-N 3.46Å; Q154-T158 PolarHBondContact O-OG1 3.16Å
155L92.6Very high88.6Confident126 Ų12659 Ų5966%0.6631%0.31SS*.Hα-helixtrans-64.7-43.7175.1-72.6172.1000111.5G151 Q152 T158 R159G151-L155 WeakPolarHBondContact O-CG 3.44Å; G151-L155 PolarHBondContact O-N 3.4Å; Q152-L155 PolarHBondContact O-N 2.99Å; L155-T158 CarbonylContact O-C 3.58Å; L155-T158 PolarHBondContact O-N 3.07Å; L155-R159 WeakPolarHBondContact O-CB 3.25Å; L155-R159 PolarHBondContact O-N 3.45Å
156F92.3Very high88.5Confident1 Ų159.8 Ų59.80%0.00431%0.311CS..Hα-helixtrans-58.6-48.5175171-108.7000112.2F107 M110 E111 I114 L130 Q152 T158 R159 L160F107-F156 HydrophobicContact CE1-CB 3.99Å; F107-F156 HydrophobicContact CE1-CD1 4.39Å; F107-F156 HydrophobicContact CE1-CG 4.15Å; F107-F156 HydrophobicContact CE2-CD1 4.29Å; F107-F156 HydrophobicContact CZ-CB 3.79Å; F107-F156 AromaticContact CZ-CD1 3.57Å; F107-F156 HydrophobicContact CZ-CD1 3.57Å; F107-F156 HydrophobicContact CZ-CE1 4.28Å; F107-F156 AromaticContact CZ-CG 3.76Å; F107-F156 HydrophobicContact CZ-CG 3.76Å; M110-F156 HydrophobicContact CE-CD1 4.03Å; M110-F156 HydrophobicContact CE-CE1 3.38Å; M110-F156 HydrophobicContact CE-CE2 4.39Å; M110-F156 HydrophobicContact CE-CZ 3.58Å; E111-F156 HydrophobicContact CB-CD2 3.93Å; E111-F156 HydrophobicContact CB-CE2 3.92Å; E111-F156 HydrophobicContact CG-CD2 3.61Å; E111-F156 HydrophobicContact CG-CE2 3.87Å; I114-F156 HydrophobicContact CB-CE2 4.44Å; I114-F156 HydrophobicContact CB-CZ 4.05Å; I114-F156 HydrophobicContact CD1-CZ 4.21Å; I114-F156 HydrophobicContact CG2-CZ 4.01Å; L130-F156 HydrophobicContact CD1-CE1 3.99Å; L130-F156 HydrophobicContact CD1-CZ 4.45Å; L130-F156 HydrophobicContact CD2-CE1 4.4Å; Q152-F156 WeakPolarHBondContact O-CB 3.45Å; Q152-F156 PolarHBondContact O-N 3.06Å; F156-T158 VanDerWaalsContact C-N 3.31Å; F156-T158 PolarHBondContact O-N 3.18Å; F156-R159 PolarHBondContact O-N 3.3Å; F156-L160 HydrophobicContact CD1-CD1 4.28Å; F156-L160 HydrophobicContact CD2-CD1 4.23Å; F156-L160 HydrophobicContact CD2-CG 4.46Å; F156-L160 HydrophobicContact CE1-CD1 3.7Å; F156-L160 HydrophobicContact CE2-CD1 3.62Å; F156-L160 HydrophobicContact CE2-CG 4.13Å; F156-L160 HydrophobicContact CZ-CD1 3.35Å; F156-L160 HydrophobicContact CZ-CG 4.34Å; F156-L160 WeakPolarHBondContact O-CG 3.32Å; F156-L160 PolarHBondContact O-N 2.76Å; F156-L160 VanDerWaalsContact O-N 3.11Å
157L91.2Very high88.2Confident23 Ų2361.1 Ų61.112%0.1232%0.323CS..Hα-helixtrans-59.2-41.9174.9-69.5171.2000111.9L131 C134 I153 Q154 L160 F161L131-L157 HydrophobicContact CD2-CD2 4.2Å; C134-L157 HydrophobicContact CB-CD1 3.9Å; C134-L157 HydrophobicContact CB-CD2 3.9Å; C134-L157 HydrophobicContact CB-CG 4.2Å; I153-L157 HydrophobicContact CG2-CD1 4.22Å; I153-L157 VanDerWaalsContact O-CG 3.28Å; I153-L157 WeakPolarHBondContact O-CG 3.43Å; I153-L157 PolarHBondContact O-N 2.75Å; Q154-L157 PolarHBondContact O-N 3.44Å; L157-L160 PolarHBondContact O-N 3.2Å; L157-F161 HydrophobicContact CD2-CE2 3.81Å; L157-F161 VanDerWaalsContact O-CD2 3.24Å; L157-F161 WeakPolarHBondContact O-CD2 3.34Å; L157-F161 PolarHBondContact O-N 2.79Å
158T88.3Confident87.9Confident94 Ų9461.1 Ų61.158%0.57734%0.336SS*.Hα-helixtrans-68.6-31.6178.4-53.50000112.7Q154 L155 F156Q154-T158 WeakPolarHBondContact O-CB 3.39Å; Q154-T158 PolarHBondContact O-N 3.46Å; Q154-T158 PolarHBondContact O-OG1 3.16Å; L155-T158 CarbonylContact O-C 3.58Å; L155-T158 PolarHBondContact O-N 3.07Å; F156-T158 VanDerWaalsContact C-N 3.31Å; F156-T158 PolarHBondContact O-N 3.18Å
159R87.7Confident87.7Confident151 Ų15157.9 Ų57.957%0.5732%0.315SS*.Hα-helixtrans-71.1-32175.3-179.6177.4-178.6146.82.9112.3K118 L155 F156K118-R159 PolarHBondContact NZ-O 3.3Å; L155-R159 WeakPolarHBondContact O-CB 3.25Å; L155-R159 PolarHBondContact O-N 3.45Å; F156-R159 PolarHBondContact O-N 3.3Å
160L85.8Confident87.5Confident3 Ų361.8 Ų61.82%0.01634%0.337CS..Hα-helixtrans-82.3-48.9-178.6-71.8-179.6000112.8I114 I115 K118 F123 L130 F156 L157I114-L160 HydrophobicContact CG2-CD1 3.77Å; I114-L160 HydrophobicContact CG2-CD2 4.22Å; I115-L160 HydrophobicContact CG1-CD2 4.44Å; K118-L160 HydrophobicContact CD-CD2 4.24Å; K118-L160 WeakPolarHBondContact CE-O 3.43Å; K118-L160 PolarHBondContact NZ-O 3.41Å; F123-L160 HydrophobicContact CE2-CD1 4.08Å; F123-L160 HydrophobicContact CE2-CD2 4.25Å; F123-L160 HydrophobicContact CZ-CB 4.03Å; F123-L160 HydrophobicContact CZ-CD1 4.25Å; F123-L160 HydrophobicContact CZ-CD2 4.38Å; F123-L160 HydrophobicContact CZ-CG 4.48Å; L130-L160 HydrophobicContact CD2-CD1 3.51Å; F156-L160 HydrophobicContact CD1-CD1 4.28Å; F156-L160 HydrophobicContact CD2-CD1 4.23Å; F156-L160 HydrophobicContact CD2-CG 4.46Å; F156-L160 HydrophobicContact CE1-CD1 3.7Å; F156-L160 HydrophobicContact CE2-CD1 3.62Å; F156-L160 HydrophobicContact CE2-CG 4.13Å; F156-L160 HydrophobicContact CZ-CD1 3.35Å; F156-L160 HydrophobicContact CZ-CG 4.34Å; F156-L160 WeakPolarHBondContact O-CG 3.32Å; F156-L160 PolarHBondContact O-N 2.76Å; F156-L160 VanDerWaalsContact O-N 3.11Å; L157-L160 PolarHBondContact O-N 3.2Å
161F83.9Confident87Confident18 Ų1864.5 Ų64.58%0.07935%0.346CS..SBendtrans-87.9138.9-175.1-57.5-53.9000112.6F123 R127 L130 L131 L157 E165F123-F161 HydrophobicContact CE1-CD1 4.39Å; F123-F161 AromaticContact CE1-CE1 3.85Å; F123-F161 HydrophobicContact CE1-CE1 3.85Å; F123-F161 HydrophobicContact CZ-CD1 4.35Å; F123-F161 AromaticContact CZ-CE1 3.58Å; F123-F161 HydrophobicContact CZ-CE1 3.58Å; F123-F161 HydrophobicContact CZ-CZ 4.14Å; R127-F161 HydrophobicContact CB-CE1 4.22Å; R127-F161 HydrophobicContact CG-CD1 4.29Å; R127-F161 HydrophobicContact CG-CE1 3.38Å; R127-F161 HydrophobicContact CG-CZ 3.76Å; L130-F161 HydrophobicContact CD2-CZ 4.43Å; L131-F161 HydrophobicContact CD1-CE2 4.32Å; L131-F161 HydrophobicContact CD1-CZ 4.26Å; L131-F161 HydrophobicContact CD2-CD2 4.14Å; L131-F161 HydrophobicContact CD2-CE2 3.53Å; L131-F161 HydrophobicContact CD2-CZ 4.19Å; L131-F161 HydrophobicContact CG-CE2 3.75Å; L131-F161 HydrophobicContact CG-CZ 3.88Å; L157-F161 HydrophobicContact CD2-CE2 3.81Å; L157-F161 VanDerWaalsContact O-CD2 3.24Å; L157-F161 WeakPolarHBondContact O-CD2 3.34Å; L157-F161 PolarHBondContact O-N 2.79Å; F161-E165 HydrophobicContact CB-CB 4.28Å; F161-E165 VanDerWaalsContact CD1-OE2 3.25Å; F161-E165 WeakPolarHBondContact CD1-OE2 3.25Å
162P82.9Confident86.6Confident53 Ų5368.7 Ų68.734%0.34436%0.36SS..  trans-72.3155.4177.335.1-37.9000110.7D164 E165 I387P162-D164 WeakPolarHBondContact CB-OD1 3.25Å; P162-D164 PolarHBondContact O-N 3.35Å; P162-D164 VanDerWaalsContact O-N 3.09Å; P162-E165 HydrophobicContact CG-CB 4.26Å; P162-E165 WeakPolarHBondContact O-CB 3.49Å; P162-E165 PolarHBondContact O-N 3.17Å; P162-I387 HydrophobicContact CB-CD1 3.56Å
163L82.1Confident86.2Confident104 Ų10466 Ų6655%0.54535%0.351SS..THydrogen-bonded Turntrans-61.8-20.7-172.1-67.5174.7000114.6L169 F386L163-L169 WeakPolarHBondContact O-CD1 3.46Å; L163-L169 WeakPolarHBondContact O-CD2 3.41Å; L163-F386 HydrophobicContact CD1-CD2 4.47Å
164D82.2Confident86Confident51 Ų5170.7 Ų70.727%0.27338%0.376SS..THydrogen-bonded Turntrans-87.8-1.8175.658.3-42.7000113.6P162 K166 S385P162-D164 WeakPolarHBondContact CB-OD1 3.25Å; P162-D164 PolarHBondContact O-N 3.35Å; P162-D164 VanDerWaalsContact O-N 3.09Å; D164-K166 PolarHBondContact O-N 2.78Å; D164-S385 PolarHBondContact OD1-OG 3.47Å; D164-S385 WeakPolarHBondContact OD2-CB 3.34Å; D164-S385 PolarHBondContact OD2-OG 3Å
165E83.2Confident85.8Confident22 Ų2269.3 Ų69.310%0.10337%0.368CS..  trans-71.3118.6175-165.2174.9139.400111.4R127 F161 P162 S167 G168 L169R127-E165 WeakPolarHBondContact CD-OE1 3.49Å; R127-E165 WeakPolarHBondContact CD-OE2 3.46Å; R127-E165 IonicContact CZ-OE1 2.88Å; R127-E165 IonicContact CZ-OE2 3.16Å; R127-E165 IonicContact NE-OE1 3.56Å; R127-E165 IonicContact NE-OE2 3.46Å; R127-E165 IonicContact NH1-OE1 3.84Å; R127-E165 IonicContact NH1-OE2 3.41Å; R127-E165 PolarHBondContact NH1-OE2 3.2Å; F161-E165 HydrophobicContact CB-CB 4.28Å; F161-E165 VanDerWaalsContact CD1-OE2 3.25Å; F161-E165 WeakPolarHBondContact CD1-OE2 3.25Å; P162-E165 HydrophobicContact CG-CB 4.26Å; P162-E165 WeakPolarHBondContact O-CB 3.49Å; P162-E165 PolarHBondContact O-N 3.17Å; E165-S167 VanDerWaalsContact CG-OG 3.32Å; E165-S167 WeakPolarHBondContact CG-OG 3.47Å; E165-S167 PolarHBondContact O-N 3.44Å; E165-S167 PolarHBondContact OE1-OG 2.88Å; E165-G168 PolarHBondContact O-N 3.09Å; E165-L169 PolarHBondContact O-N 3.12Å
166K82.3Confident85.5Confident170 Ų17067.5 Ų67.574%0.73936%0.359SS*.THydrogen-bonded Turntrans-55.8-19.3-178.7-60.9-178.4-179.2179.70115D164D164-K166 PolarHBondContact O-N 2.78Å
167S81.2Confident85Confident64 Ų6471.1 Ų71.145%0.44839%0.385SS..THydrogen-bonded Turntrans-74.5-34.9177.861.90000112.8E165E165-S167 VanDerWaalsContact CG-OG 3.32Å; E165-S167 WeakPolarHBondContact CG-OG 3.47Å; E165-S167 PolarHBondContact O-N 3.44Å; E165-S167 PolarHBondContact OE1-OG 2.88Å
168G82.1Confident84.3Confident67 Ų6777.1 Ų77.169%0.69141%0.412SS*.THydrogen-bonded Turntrans-87.4-8.4176.800000113.9E165E165-G168 PolarHBondContact O-N 3.09Å
169L84.9Confident83.6Confident31 Ų3180.1 Ų80.116%0.16242%0.417CS..SBendtrans-100.5126.6-178.6-67.8171.3000111.3L163 E165 F171 W375 W378 C383L163-L169 WeakPolarHBondContact O-CD1 3.46Å; L163-L169 WeakPolarHBondContact O-CD2 3.41Å; E165-L169 PolarHBondContact O-N 3.12Å; L169-F171 PolarHBondContact O-N 3.39Å; L169-W375 HydrophobicContact CD2-CZ2 4.45Å; L169-W378 HydrophobicContact CD1-CH2 4.08Å; L169-W378 HydrophobicContact CD2-CH2 3.9Å; L169-W378 HydrophobicContact CD2-CZ3 3.95Å; L169-C383 HydrophobicContact CD1-CB 3.8Å
170N88.3Confident82.9Confident85 Ų8578 Ų7846%0.45542%0.417SS..  trans-70.266.5161.4178.98.1000109.7M172 S173 N174 K379N170-M172 VanDerWaalsContact C-N 3.3Å; N170-M172 PolarHBondContact O-N 2.95Å; N170-S173 PolarHBondContact O-N 3.25Å; N170-S173 VanDerWaalsContact O-N 3.08Å; N170-S173 PolarHBondContact OD1-N 3.48Å; N170-N174 PolarHBondContact ND2-O 2.91Å; N170-N174 PolarHBondContact OD1-N 3.28Å; N170-K379 WeakPolarHBondContact O-CE 3.34Å; N170-K379 PolarHBondContact O-NZ 3.49Å
171F83.6Confident82.8Confident72 Ų7280.5 Ų80.532%0.31643%0.43SS..THydrogen-bonded Turntrans-56.7-43.4-168.1-176.1-102.1000112L169 S173 F322 K379L169-F171 PolarHBondContact O-N 3.39Å; F171-S173 PolarHBondContact O-N 3.05Å; F171-F322 HydrophobicContact CD1-CE1 4.38Å; F171-F322 AromaticContact CD1-CZ 3.91Å; F171-F322 HydrophobicContact CD1-CZ 3.91Å; F171-F322 HydrophobicContact CE1-CE1 4.26Å; F171-F322 AromaticContact CE1-CZ 3.77Å; F171-F322 HydrophobicContact CE1-CZ 3.77Å; F171-F322 HydrophobicContact CZ-CZ 4.29Å; F171-F322 WeakPolarHBondContact O-CE2 3.29Å; F171-F322 WeakPolarHBondContact O-CZ 3.4Å; F171-K379 VanDerWaalsContact O-CE 3.22Å; F171-K379 WeakPolarHBondContact O-CE 3.26Å
172M84.2Confident82.8Confident115 Ų11586.1 Ų86.157%0.56746%0.46SS*.THydrogen-bonded Turntrans-74-2.8-178.4-63.1178.768.500114.9N170 N174 F322N170-M172 VanDerWaalsContact C-N 3.3Å; N170-M172 PolarHBondContact O-N 2.95Å; M172-N174 VanDerWaalsContact C-N 3.27Å; M172-N174 WeakPolarHBondContact CB-OD1 3.26Å; M172-N174 PolarHBondContact O-N 3.3Å; M172-F322 WeakPolarHBondContact O-CB 3.47Å; M172-F322 VanDerWaalsContact O-CG 3.3Å; M172-F322 WeakPolarHBondContact O-CG 3.38Å
173S85.8Confident83.1Confident25 Ų2584.8 Ų84.818%0.17545%0.448CS..  trans58.135.4-172.9-60.70000113.7N170 F171 K379N170-S173 PolarHBondContact O-N 3.25Å; N170-S173 VanDerWaalsContact O-N 3.08Å; N170-S173 PolarHBondContact OD1-N 3.48Å; F171-S173 PolarHBondContact O-N 3.05Å; S173-K379 WeakPolarHBondContact OG-CE 3.34Å; S173-K379 PolarHBondContact OG-NZ 3.1Å
174N88Confident83.4Confident98 Ų9882.9 Ų82.952%0.52444%0.439SS..  trans-65.7137.1177.9-66.7-18.7000110.5N170 M172N170-N174 PolarHBondContact ND2-O 2.91Å; N170-N174 PolarHBondContact OD1-N 3.28Å; M172-N174 VanDerWaalsContact C-N 3.27Å; M172-N174 WeakPolarHBondContact CB-OD1 3.26Å; M172-N174 PolarHBondContact O-N 3.3Å
175F89.6Confident83.7Confident82 Ų8285.8 Ų85.836%0.3645%0.449SS..  trans-79.6151.7173.4-62.7-72.7000111.3S177 P237 Y315F175-S177 PolarHBondContact O-N 2.67Å; F175-S177 VanDerWaalsContact O-N 3.11Å; F175-P237 HydrophobicContact CD1-CG 4.2Å; F175-P237 HydrophobicContact CE1-CB 4.3Å; F175-P237 HydrophobicContact CE1-CG 3.61Å; F175-P237 HydrophobicContact CZ-CB 4.04Å; F175-P237 HydrophobicContact CZ-CG 3.85Å; F175-Y315 HydrophobicContact CZ-CD2 4.36Å; F175-Y315 HydrophobicContact CZ-CE1 4.21Å; F175-Y315 AromaticContact CZ-CE2 3.75Å; F175-Y315 HydrophobicContact CZ-CE2 3.75Å; F175-Y315 AromaticContact CZ-CZ 3.66Å
176N85.4Confident83.9Confident88 Ų8891.6 Ų91.647%0.47148%0.48SS..  trans-82.588.8177.3-173.2-20.9000110.5E178 K179N176-E178 VanDerWaalsContact C-N 3.33Å; N176-E178 WeakPolarHBondContact OD1-CB 3.48Å; N176-E178 PolarHBondContact OD1-N 3.43Å; N176-K179 PolarHBondContact OD1-N 3.09Å
177S82.1Confident84Confident78 Ų7884.1 Ų84.155%0.54545%0.449SS..  trans-76.3-14.8178.5-52.70000114.3F175 K235F175-S177 PolarHBondContact O-N 2.67Å; F175-S177 VanDerWaalsContact O-N 3.11Å; S177-K235 WeakPolarHBondContact O-CE 3.49Å; S177-K235 PolarHBondContact O-NZ 3.26Å
178E76.5Confident84.1Confident149 Ų14985.3 Ų85.370%0.69645%0.451SS*.SBendtrans-67.2-37.8-179.1-65.7-175.1-175.600112.9K143 N176 D180K143-E178 IonicContact NZ-OE2 3.51Å; K143-E178 PolarHBondContact NZ-OE2 3.05Å; N176-E178 VanDerWaalsContact C-N 3.33Å; N176-E178 WeakPolarHBondContact OD1-CB 3.48Å; N176-E178 PolarHBondContact OD1-N 3.43Å; E178-D180 PolarHBondContact O-N 2.99Å
179K74Confident84Confident156 Ų15686 Ų8668%0.67844%0.443SS*.  trans-77.3110.4-180-69.9-173.8177.7-175.30108.9N176 K235N176-K179 PolarHBondContact OD1-N 3.09Å; K179-K235 VanDerWaalsContact O-CD 3.3Å; K179-K235 WeakPolarHBondContact O-CD 3.49Å; K179-K235 WeakPolarHBondContact O-CE 3.37Å; K179-K235 PolarHBondContact O-NZ 3.14Å
180D73.6Confident83.7Confident108 Ų10887.4 Ų87.458%0.57846%0.456SS*.  trans-106.4138.4171.9-144.237.5000110.8E178 K235E178-D180 PolarHBondContact O-N 2.99Å; D180-K235 IonicContact OD1-NZ 2.69Å; D180-K235 PolarHBondContact OD1-NZ 3.4Å
181I82.2Confident83.1Confident54 Ų5484.2 Ų84.228%0.27744%0.441SS..  trans-9795.7174.9-69.7168.2000105.8Y183 W228 Q231 Y285 T287I181-Y183 PolarHBondContact O-N 3.41Å; I181-W228 HydrophobicContact CG2-CE3 4.02Å; I181-W228 HydrophobicContact CG2-CZ3 4.29Å; I181-Q231 HydrophobicContact CB-CB 4.35Å; I181-Q231 HydrophobicContact CD1-CB 3.81Å; I181-Q231 HydrophobicContact CD1-CG 3.89Å; I181-Q231 HydrophobicContact CG2-CB 4.41Å; I181-Q231 HydrophobicContact CG2-CG 4.4Å; I181-Y285 HydrophobicContact CD1-CD2 4.05Å; I181-Y285 HydrophobicContact CD1-CE2 4.49Å; I181-T287 HydrophobicContact CG2-CG2 3.56Å
182L84.4Confident82.7Confident136 Ų13682.4 Ų82.471%0.71243%0.433SS*.  trans-75.1117.1178.9-63.2174.3000108.9T287L182-T287 VanDerWaalsContact O-CB 3.31Å; L182-T287 WeakPolarHBondContact O-CB 3.46Å; L182-T287 WeakPolarHBondContact O-CG2 3.24Å; L182-T287 PolarHBondContact O-OG1 2.7Å
183Y89.5Confident81.6Confident25 Ų2585.1 Ų85.110%0.09844%0.442CS..  trans-136.4158176.476.3-87.8000108.7I181 K185 Y224 W228 S229I181-Y183 PolarHBondContact O-N 3.41Å; Y183-K185 HydrophobicContact CD2-CG 4.5Å; Y183-K185 HydrophobicContact CE1-CG 4.48Å; Y183-K185 HydrophobicContact CE2-CG 3.93Å; Y183-K185 PolarHBondContact O-N 3.24Å; Y183-Y224 AromaticContact CD2-CE1 3.95Å; Y183-Y224 HydrophobicContact CD2-CE1 3.95Å; Y183-W228 HydrophobicContact CD1-CB 3.7Å; Y183-W228 HydrophobicContact CD2-CB 3.4Å; Y183-W228 VanDerWaalsContact CD2-CB 3.4Å; Y183-W228 HydrophobicContact CD2-CG 4.16Å; Y183-W228 HydrophobicContact CE1-CB 4.02Å; Y183-W228 HydrophobicContact CE2-CB 3.74Å; Y183-W228 HydrophobicContact CG-CB 3.37Å; Y183-W228 HydrophobicContact CG-CG 4.03Å; Y183-S229 WeakPolarHBondContact OH-CA 3.42Å; Y183-S229 WeakPolarHBondContact OH-CB 3.24Å
184N88.8Confident80Confident65 Ų6590.6 Ų90.635%0.34846%0.464SS..  trans-75.7118.5-178.7-167.8-6.3000110.9N186 P187 Y224 E289N184-N186 VanDerWaalsContact C-N 3.31Å; N184-N186 PolarHBondContact ND2-O 3.02Å; N184-N186 VanDerWaalsContact OD1-C 3.26Å; N184-N186 PolarHBondContact OD1-N 3.31Å; N184-N186 PolarHBondContact OD1-O 3.06Å; N184-P187 HydrophobicContact CB-CB 4.35Å; N184-P187 WeakPolarHBondContact ND2-CA 3.47Å; N184-Y224 HydrophobicContact CB-CE1 4.24Å; N184-Y224 PolarHBondContact N-OH 3.05Å; N184-Y224 VanDerWaalsContact O-CE1 3.29Å; N184-Y224 WeakPolarHBondContact O-CE1 3.44Å; N184-E289 WeakPolarHBondContact CB-OE1 3.43Å; N184-E289 PolarHBondContact ND2-OE1 3.41Å
185K87.7Confident78.2Confident112 Ų11290.8 Ų90.849%0.48746%0.462SS..SBendtrans-78.7-19.4179.1-65.1-172.3173.1-175.70113Y183 E232Y183-K185 HydrophobicContact CD2-CG 4.5Å; Y183-K185 HydrophobicContact CE1-CG 4.48Å; Y183-K185 HydrophobicContact CE2-CG 3.93Å; Y183-K185 PolarHBondContact O-N 3.24Å; K185-E232 WeakPolarHBondContact CE-OE1 3.45Å; K185-E232 IonicContact NZ-OE1 2.72Å; K185-E232 PolarHBondContact NZ-OE1 3.2Å
186N88.2Confident75.9Confident143 Ų14393.5 Ų93.577%0.76549%0.485SS*.SBendtrans-129.967.2177.6-59.4-28.4000108.9N184N184-N186 VanDerWaalsContact C-N 3.31Å; N184-N186 PolarHBondContact ND2-O 3.02Å; N184-N186 VanDerWaalsContact OD1-C 3.26Å; N184-N186 PolarHBondContact OD1-N 3.31Å; N184-N186 PolarHBondContact OD1-O 3.06Å
187P84.2Confident73.3Confident13 Ų1393.9 Ų93.98%0.08450%0.495CS..  trans-67.8145.118034.6-38.1000110.4N184 P189 F192 A221 Y224 V225 E289N184-P187 HydrophobicContact CB-CB 4.35Å; N184-P187 WeakPolarHBondContact ND2-CA 3.47Å; P187-P189 WeakPolarHBondContact O-CD 3.05Å; P187-F192 HydrophobicContact CB-CE2 3.82Å; P187-F192 HydrophobicContact CB-CZ 3.91Å; P187-F192 HydrophobicContact CG-CE2 4.11Å; P187-F192 HydrophobicContact CG-CZ 4.17Å; P187-A221 HydrophobicContact CG-CB 3.9Å; P187-Y224 HydrophobicContact CB-CD1 4.23Å; P187-Y224 HydrophobicContact CB-CE1 4.39Å; P187-Y224 HydrophobicContact CG-CD1 3.96Å; P187-Y224 HydrophobicContact CG-CE1 4.48Å; P187-V225 VanDerWaalsContact CD-CG2 3.44Å; P187-V225 HydrophobicContact CG-CG2 3.78Å; P187-E289 HydrophobicContact CB-CG 3.92Å; P187-E289 WeakPolarHBondContact CB-OE2 3.31Å
188D82.1Confident71Confident90 Ų9098.4 Ų98.448%0.48151%0.507SS..  trans-73.7123.5177.7179.2-2.4000108.7S190 A191D188-S190 PolarHBondContact O-N 3.15Å; D188-S190 WeakPolarHBondContact OD1-CB 3.32Å; D188-S190 PolarHBondContact OD1-N 3.09Å; D188-S190 PolarHBondContact OD1-OG 3.47Å; D188-S190 WeakPolarHBondContact OD2-CB 3.37Å; D188-S190 PolarHBondContact OD2-OG 2.76Å; D188-A191 WeakPolarHBondContact O-CB 3.33Å; D188-A191 PolarHBondContact O-N 3.36Å
189P80.4Confident68.9Low81 Ų8197.7 Ų97.753%0.52651%0.508SS..THydrogen-bonded Turntrans-54.4-18.7173.9-26.336000114.6P187 A191P187-P189 WeakPolarHBondContact O-CD 3.05Å; P189-A191 VanDerWaalsContact C-N 3.35Å
190S78.9Confident66.8Low61 Ų6198.7 Ų98.743%0.42751%0.514SS..THydrogen-bonded Turntrans-67.3-31.8172.583.80000113.3D188 F192 K193D188-S190 PolarHBondContact O-N 3.15Å; D188-S190 WeakPolarHBondContact OD1-CB 3.32Å; D188-S190 PolarHBondContact OD1-N 3.09Å; D188-S190 PolarHBondContact OD1-OG 3.47Å; D188-S190 WeakPolarHBondContact OD2-CB 3.37Å; D188-S190 PolarHBondContact OD2-OG 2.76Å; S190-F192 PolarHBondContact O-N 3.39Å; S190-K193 PolarHBondContact O-N 2.69Å
191A75Confident64.7Low18 Ų18100 Ų10015%0.14953%0.527CS..THydrogen-bonded Turntrans-65.3-25-172.200000113.6D188 P189 E289D188-A191 WeakPolarHBondContact O-CB 3.33Å; D188-A191 PolarHBondContact O-N 3.36Å; P189-A191 VanDerWaalsContact C-N 3.35Å; A191-E289 HydrophobicContact CB-CB 4.38Å; A191-E289 WeakPolarHBondContact CB-OE2 3.08Å
192F76.3Confident62.4Low33 Ų33102.9 Ų102.915%0.14555%0.551CS.*THydrogen-bonded Turntrans-88.8-16.7-178.1-58.2-83.2000113.9P187 S190 H194 V219 A221 Y224 E289P187-F192 HydrophobicContact CB-CE2 3.82Å; P187-F192 HydrophobicContact CB-CZ 3.91Å; P187-F192 HydrophobicContact CG-CE2 4.11Å; P187-F192 HydrophobicContact CG-CZ 4.17Å; S190-F192 PolarHBondContact O-N 3.39Å; F192-H194 VanDerWaalsContact C-N 3.34Å; F192-H194 PolarHBondContact O-N 2.63Å; F192-V219 WeakPolarHBondContact CB-O 3.48Å; F192-V219 HydrophobicContact CD1-CG1 4.06Å; F192-V219 WeakPolarHBondContact CD1-O 3.33Å; F192-V219 HydrophobicContact CE1-CG1 4.14Å; F192-V219 WeakPolarHBondContact CG-O 3.49Å; F192-A221 HydrophobicContact CD2-CB 4.26Å; F192-A221 HydrophobicContact CE2-CB 3.78Å; F192-A221 HydrophobicContact CZ-CB 4.49Å; F192-Y224 HydrophobicContact CE1-CD2 4.21Å; F192-Y224 HydrophobicContact CE1-CG 4.14Å; F192-Y224 HydrophobicContact CZ-CD1 4.41Å; F192-Y224 HydrophobicContact CZ-CD2 4.32Å; F192-Y224 AromaticContact CZ-CG 3.92Å; F192-Y224 HydrophobicContact CZ-CG 3.92Å; F192-E289 HydrophobicContact CE1-CB 4.06Å; F192-E289 HydrophobicContact CZ-CB 3.92Å; F192-E289 HydrophobicContact CZ-CG 4.06Å
193K60.5Low60Low172 Ų172103.8 Ų103.875%0.74856%0.557SS**THydrogen-bonded Turntrans-81.7-3.4-169.5-69.3-174.1175.4-171.50115.6S190S190-K193 PolarHBondContact O-N 2.69Å
194H53.4Low57.4Low140 Ų140109.7 Ų109.765%0.64859%0.59SS**THydrogen-bonded Turntrans-99.111.5-161.6-101.1-63.9000116.6F192F192-H194 VanDerWaalsContact C-N 3.34Å; F192-H194 PolarHBondContact O-N 2.63Å
195Q48.4Very low55.3Low102 Ų102114.6 Ų114.648%0.47762%0.616SS.*SBendtrans-100.911-174.2-60.3-151.46100115.8K290 D293Q195-K290 PolarHBondContact NE2-O 2.57Å; Q195-D293 PolarHBondContact NE2-OD1 3.47Å; Q195-D293 PolarHBondContact NE2-OD2 3.34Å; Q195-D293 PolarHBondContact OE1-OD2 3.47Å
196V41.3Very low52.9Low140 Ų140118 Ų11885%0.84863%0.633SS**SBendtrans-119.631.7179.8-1560000112.3
197S32.6Very low50.3Low96 Ų96120.9 Ų120.967%0.67164%0.642SS**  trans-133.866.5176.865.70000111.6
198H33.8Very low47.8Very low173 Ų173124 Ų12480%0.80168%0.676SS**SBendtrans-101.2111.9158.9-159.6-22.4000108
199D30.6Very low45.5Very low133 Ų133128 Ų12871%0.71169%0.692SS**  trans38.1116.2170.3-65-53.5000121.7
200H30.8Very low43.1Very low178 Ų178133.6 Ų133.682%0.82471%0.714SS**  trans-52.1130.7150.4-57.2-93.9000111.7
201T30.5Very low41Very low136 Ų136135.5 Ų135.583%0.83472%0.723SS**  157.699.4103.551.10000111
202S33.3Very low38.8Very low113 Ų113143.1 Ų143.179%0.7976%0.761SS**  trans-156.9101.6149.756.60000108.2
203D33.8Very low36.7Very low156 Ų156146.4 Ų146.483%0.83479%0.788SS**  trans-60.3164.2152.4-74.6-53.4000108.9
204D35.2Very low35.7Very low149 Ų149143.6 Ų143.680%0.79779%0.79SS**  trans70.3104.9-174.5-52.5-34.7000115.2
205L43.7Very low35.2Very low168 Ų168143.1 Ų143.188%0.8880%0.797SS**  -171.2145.6114.1-95.9162.5000112.3
206E37.4Very low35.3Very low184 Ų184143.4 Ų143.486%0.8681%0.808SS**  trans-70168.2-158.4-62.7170.7124.700116.8
207E34.2Very low36.3Very low202 Ų202139 Ų13994%0.94478%0.779SS**SBendtrans-60.1134.5176.2-59-17714100113
208G32.5Very low38.1Very low78 Ų78142.8 Ų142.880%0.80479%0.786SS**  trans119.264.6148.200000118.2
209E33.3Very low40.2Very low176 Ų176135.2 Ų135.282%0.82275%0.752SS**  trans-142.8117150.5-133.1173.7-161.500112.4T211E209-T211 PolarHBondContact O-N 3.49Å
210M29.7Very low42.8Very low197 Ų197133.1 Ų133.197%0.9774%0.741SS**  trans-74.891.8177.6-75.1-87.5-73.400109.6
211T34.1Very low45.6Very low101 Ų101125.7 Ų125.762%0.6271%0.711SS**  trans-107.2122170.654.70000110.2E209 S213E209-T211 PolarHBondContact O-N 3.49Å; T211-S213 PolarHBondContact O-N 2.74Å; T211-S213 PolarHBondContact O-OG 3Å
212D30Very low48.4Very low179 Ų179120.8 Ų120.896%0.95769%0.687SS**  trans-64.976.5176.5-91.3-29.1000110.5S214D212-S214 PolarHBondContact O-N 3.17Å
213S31.8Very low51.2Low102 Ų102115.9 Ų115.971%0.71365%0.652SS**  trans-79.9112.4176.234.40000108.8T211 T215T211-S213 PolarHBondContact O-N 2.74Å; T211-S213 PolarHBondContact O-OG 3Å; S213-T215 PolarHBondContact O-N 2.97Å; S213-T215 VanDerWaalsContact O-N 3.15Å
214S39.4Very low54.1Low112 Ų112108.6 Ų108.678%0.78361%0.613SS**PPolyproline II helixtrans-49.8118.7179.549.70000111.3D212D212-S214 PolarHBondContact O-N 3.17Å
215T43Very low56.8Low130 Ų130103.1 Ų103.180%0.79858%0.584SS**PPolyproline II helixtrans-49121.3178.648.30000110.5S213 L217S213-T215 PolarHBondContact O-N 2.97Å; S213-T215 VanDerWaalsContact O-N 3.15Å; T215-L217 PolarHBondContact O-N 3.06Å
216P51.2Low59.2Low109 Ų10998.6 Ų98.671%0.70856%0.558SS**PPolyproline II helixtrans-59.7132179.124.6-33.1000109.2E218P216-E218 PolarHBondContact O-N 3.34Å
217L62.3Low61.9Low47 Ų4790 Ų9025%0.24652%0.517CS..  trans-78.193.5-175-167.299.5000110T215 V219 V259 I263 L296 M297T215-L217 PolarHBondContact O-N 3.06Å; L217-V219 HydrophobicContact CD2-CG2 3.92Å; L217-V219 PolarHBondContact O-N 3.21Å; L217-V259 HydrophobicContact CD1-CG1 4.36Å; L217-V259 HydrophobicContact CD2-CG1 4.14Å; L217-I263 HydrophobicContact CD1-CD1 4.01Å; L217-I263 HydrophobicContact CD1-CG1 3.72Å; L217-I263 HydrophobicContact CD2-CD1 3.95Å; L217-L296 HydrophobicContact CD2-CB 4.44Å; L217-L296 HydrophobicContact CD2-CD1 3.69Å; L217-M297 HydrophobicContact CB-CE 3.65Å; L217-M297 HydrophobicContact CD2-CE 4.08Å; L217-M297 HydrophobicContact CG-CE 4.4Å
218E70Confident64.8Low175 Ų17580.3 Ų80.382%0.81847%0.472SS*.  trans-65.399.5172.1-65.6-169.8172.900110.3P216 D220P216-E218 PolarHBondContact O-N 3.34Å; E218-D220 PolarHBondContact O-N 3.39Å
219V78Confident67.7Low14 Ų1476.6 Ų76.69%0.08543%0.434CS..  trans-73.9116170.9174.60000108.8F192 L217 L223 L292 D293 L296F192-V219 WeakPolarHBondContact CB-O 3.48Å; F192-V219 HydrophobicContact CD1-CG1 4.06Å; F192-V219 WeakPolarHBondContact CD1-O 3.33Å; F192-V219 HydrophobicContact CE1-CG1 4.14Å; F192-V219 WeakPolarHBondContact CG-O 3.49Å; L217-V219 HydrophobicContact CD2-CG2 3.92Å; L217-V219 PolarHBondContact O-N 3.21Å; V219-L223 HydrophobicContact CG1-CD2 4.35Å; V219-L223 HydrophobicContact CG2-CD2 4.3Å; V219-L292 HydrophobicContact CG1-CB 4.22Å; V219-L292 HydrophobicContact CG1-CD2 3.81Å; V219-L292 HydrophobicContact CG1-CG 4.12Å; V219-D293 HydrophobicContact CB-CB 4.38Å; V219-D293 HydrophobicContact CG2-CB 3.65Å; V219-L296 HydrophobicContact CG2-CD1 3.77Å
220D85.7Confident70.7Confident90 Ų9068.3 Ų68.348%0.48140%0.395SS..  trans-95.2166.7175.984-44.5000112.7E218 G222 L223 Y224E218-D220 PolarHBondContact O-N 3.39Å; D220-G222 PolarHBondContact O-N 3.07Å; D220-G222 WeakPolarHBondContact OD2-CA 3.47Å; D220-G222 PolarHBondContact OD2-N 2.76Å; D220-L223 PolarHBondContact O-N 2.9Å; D220-L223 WeakPolarHBondContact OD1-CB 3.44Å; D220-L223 PolarHBondContact OD1-N 2.87Å; D220-Y224 PolarHBondContact O-N 3.15Å
221A88.1Confident73.7Confident22 Ų2259.4 Ų59.418%0.18235%0.351CS..Hα-helixtrans-55-34.9173.100000112.5P187 F192 V225P187-A221 HydrophobicContact CG-CB 3.9Å; F192-A221 HydrophobicContact CD2-CB 4.26Å; F192-A221 HydrophobicContact CE2-CB 3.78Å; F192-A221 HydrophobicContact CZ-CB 4.49Å; A221-V225 WeakPolarHBondContact O-CG2 3.44Å; A221-V225 PolarHBondContact O-N 2.67Å; A221-V225 VanDerWaalsContact O-N 3.1Å
222G90.4Very high76.5Confident32 Ų3257.1 Ų57.133%0.3333%0.333SS..Hα-helixtrans-66.6-47.1178.600000112.9D220 V225 K226D220-G222 PolarHBondContact O-N 3.07Å; D220-G222 WeakPolarHBondContact OD2-CA 3.47Å; D220-G222 PolarHBondContact OD2-N 2.76Å; G222-V225 PolarHBondContact O-N 3Å; G222-K226 WeakPolarHBondContact O-CB 3.48Å; G222-K226 WeakPolarHBondContact O-CG 3.31Å; G222-K226 PolarHBondContact O-N 3.36Å
223L92.1Very high79.6Confident11 Ų1148.7 Ų48.76%0.05829%0.288CS..Hα-helixtrans-61.7-46.6174.9178.858.7000111.1V219 D220 V225 K226 F227 T255 V259 L296V219-L223 HydrophobicContact CG1-CD2 4.35Å; V219-L223 HydrophobicContact CG2-CD2 4.3Å; D220-L223 PolarHBondContact O-N 2.9Å; D220-L223 WeakPolarHBondContact OD1-CB 3.44Å; D220-L223 PolarHBondContact OD1-N 2.87Å; L223-V225 PolarHBondContact O-N 2.87Å; L223-K226 PolarHBondContact O-N 2.93Å; L223-F227 WeakPolarHBondContact O-CB 3.5Å; L223-F227 PolarHBondContact O-N 3.33Å; L223-T255 HydrophobicContact CD1-CG2 4.3Å; L223-V259 HydrophobicContact CD1-CG2 3.93Å; L223-V259 HydrophobicContact CD2-CG1 4.31Å; L223-V259 HydrophobicContact CD2-CG2 4.13Å; L223-L296 HydrophobicContact CD2-CD1 4.06Å
224Y93.5Very high82.5Confident3 Ų345.4 Ų45.41%0.01226%0.261CS..Hα-helixtrans-56.7-48.4177.4175.5-85.2000112Y183 N184 P187 F192 D220 W228 T287 E289 L292Y183-Y224 AromaticContact CD2-CE1 3.95Å; Y183-Y224 HydrophobicContact CD2-CE1 3.95Å; N184-Y224 HydrophobicContact CB-CE1 4.24Å; N184-Y224 PolarHBondContact N-OH 3.05Å; N184-Y224 VanDerWaalsContact O-CE1 3.29Å; N184-Y224 WeakPolarHBondContact O-CE1 3.44Å; P187-Y224 HydrophobicContact CB-CD1 4.23Å; P187-Y224 HydrophobicContact CB-CE1 4.39Å; P187-Y224 HydrophobicContact CG-CD1 3.96Å; P187-Y224 HydrophobicContact CG-CE1 4.48Å; F192-Y224 HydrophobicContact CE1-CD2 4.21Å; F192-Y224 HydrophobicContact CE1-CG 4.14Å; F192-Y224 HydrophobicContact CZ-CD1 4.41Å; F192-Y224 HydrophobicContact CZ-CD2 4.32Å; F192-Y224 AromaticContact CZ-CG 3.92Å; F192-Y224 HydrophobicContact CZ-CG 3.92Å; D220-Y224 PolarHBondContact O-N 3.15Å; Y224-W228 AromaticContact CD2-CD1 3.51Å; Y224-W228 AromaticContact CD2-NE1 3.51Å; Y224-W228 AromaticContact CE1-CD1 3.89Å; Y224-W228 AromaticContact CE2-CD1 3.32Å; Y224-W228 AromaticContact CE2-NE1 3.2Å; Y224-W228 AromaticContact CG-CD1 3.87Å; Y224-W228 AromaticContact CZ-CD1 3.52Å; Y224-W228 AromaticContact CZ-NE1 3.82Å; Y224-W228 VanDerWaalsContact O-CD1 3.3Å; Y224-W228 PolarHBondContact O-N 2.93Å; Y224-T287 PolarHBondContact OH-O 2.76Å; Y224-E289 HydrophobicContact CD1-CG 4.44Å; Y224-E289 HydrophobicContact CD2-CG 4.27Å; Y224-E289 HydrophobicContact CE1-CG 3.96Å; Y224-E289 HydrophobicContact CE2-CB 4.24Å; Y224-E289 HydrophobicContact CE2-CG 3.78Å; Y224-L292 HydrophobicContact CD2-CB 4.31Å; Y224-L292 HydrophobicContact CD2-CD2 3.79Å; Y224-L292 HydrophobicContact CG-CD2 4.23Å
225V93.3Very high85Confident33 Ų3342.4 Ų42.420%0.223%0.234CC..Hα-helixtrans-67.8-40.6179.9173.70000112.1P187 A221 G222 L223 S229P187-V225 VanDerWaalsContact CD-CG2 3.44Å; P187-V225 HydrophobicContact CG-CG2 3.78Å; A221-V225 WeakPolarHBondContact O-CG2 3.44Å; A221-V225 PolarHBondContact O-N 2.67Å; A221-V225 VanDerWaalsContact O-N 3.1Å; G222-V225 PolarHBondContact O-N 3Å; L223-V225 PolarHBondContact O-N 2.87Å; V225-S229 WeakPolarHBondContact O-CB 3.41Å; V225-S229 PolarHBondContact O-N 2.92Å; V225-S229 PolarHBondContact O-OG 3.11Å
226K93.6Very high87.4Confident74 Ų7437.7 Ų37.732%0.32221%0.206SC..Hα-helixtrans-62-51.6174.9-78.9176.5172.5-177.20111.1G222 L223 S229 L230 T255G222-K226 WeakPolarHBondContact O-CB 3.48Å; G222-K226 WeakPolarHBondContact O-CG 3.31Å; G222-K226 PolarHBondContact O-N 3.36Å; L223-K226 PolarHBondContact O-N 2.93Å; K226-S229 PolarHBondContact O-N 2.94Å; K226-S229 PolarHBondContact O-OG 2.96Å; K226-L230 PolarHBondContact O-N 3.5Å; K226-T255 HydrophobicContact CD-CG2 3.77Å; K226-T255 PolarHBondContact NZ-OG1 3.11Å
227F94.5Very high89.4Confident2 Ų232.9 Ų32.91%0.00918%0.175CC..Hα-helixtrans-56.9-55.9-178.1179.8-87.7000111.5L223 S229 L230 V256 F260 L292 L296 F301 I305L223-F227 WeakPolarHBondContact O-CB 3.5Å; L223-F227 PolarHBondContact O-N 3.33Å; F227-S229 VanDerWaalsContact C-N 3.28Å; F227-S229 PolarHBondContact O-N 3.49Å; F227-L230 WeakPolarHBondContact O-CB 3.35Å; F227-L230 PolarHBondContact O-N 2.9Å; F227-L230 VanDerWaalsContact O-N 3.14Å; F227-V256 HydrophobicContact CB-CG2 4.15Å; F227-V256 HydrophobicContact CD2-CG1 3.97Å; F227-V256 HydrophobicContact CD2-CG2 3.84Å; F227-V256 HydrophobicContact CE2-CG1 4.22Å; F227-V256 HydrophobicContact CG-CG2 4.47Å; F227-F260 HydrophobicContact CE2-CZ 4.23Å; F227-L292 HydrophobicContact CB-CD2 4.42Å; F227-L292 HydrophobicContact CD1-CD1 3.77Å; F227-L292 HydrophobicContact CD1-CD2 4.42Å; F227-L292 HydrophobicContact CE1-CD1 3.81Å; F227-L292 HydrophobicContact CG-CD1 4.19Å; F227-L292 HydrophobicContact CG-CD2 4.47Å; F227-L292 HydrophobicContact CZ-CD1 4.24Å; F227-L296 HydrophobicContact CD2-CD2 4.48Å; F227-L296 HydrophobicContact CE2-CD2 4.18Å; F227-F301 HydrophobicContact CE1-CE1 4.03Å; F227-F301 AromaticContact CE1-CZ 3.77Å; F227-F301 HydrophobicContact CE1-CZ 3.77Å; F227-F301 HydrophobicContact CE2-CE1 4.21Å; F227-F301 AromaticContact CZ-CE1 3.38Å; F227-F301 HydrophobicContact CZ-CE1 3.38Å; F227-F301 AromaticContact CZ-CZ 3.53Å; F227-F301 HydrophobicContact CZ-CZ 3.53Å; F227-I305 HydrophobicContact CE1-CD1 4.45Å; F227-I305 HydrophobicContact CE2-CD1 4.44Å; F227-I305 HydrophobicContact CE2-CG1 4.13Å; F227-I305 HydrophobicContact CE2-CG2 4.4Å; F227-I305 HydrophobicContact CZ-CD1 3.74Å; F227-I305 HydrophobicContact CZ-CG1 3.76Å
228W94.5Very high90.8Very high0 Ų032.2 Ų32.20%018%0.177CC..Hα-helixtrans-70.4-24.1-179.7-69.4113.7000113.1I181 Y183 Y224 L230 Q231 Y285 T287 L292 F301I181-W228 HydrophobicContact CG2-CE3 4.02Å; I181-W228 HydrophobicContact CG2-CZ3 4.29Å; Y183-W228 HydrophobicContact CD1-CB 3.7Å; Y183-W228 HydrophobicContact CD2-CB 3.4Å; Y183-W228 VanDerWaalsContact CD2-CB 3.4Å; Y183-W228 HydrophobicContact CD2-CG 4.16Å; Y183-W228 HydrophobicContact CE1-CB 4.02Å; Y183-W228 HydrophobicContact CE2-CB 3.74Å; Y183-W228 HydrophobicContact CG-CB 3.37Å; Y183-W228 HydrophobicContact CG-CG 4.03Å; Y224-W228 AromaticContact CD2-CD1 3.51Å; Y224-W228 AromaticContact CD2-NE1 3.51Å; Y224-W228 AromaticContact CE1-CD1 3.89Å; Y224-W228 AromaticContact CE2-CD1 3.32Å; Y224-W228 AromaticContact CE2-NE1 3.2Å; Y224-W228 AromaticContact CG-CD1 3.87Å; Y224-W228 AromaticContact CZ-CD1 3.52Å; Y224-W228 AromaticContact CZ-NE1 3.82Å; Y224-W228 VanDerWaalsContact O-CD1 3.3Å; Y224-W228 PolarHBondContact O-N 2.93Å; W228-L230 PolarHBondContact O-N 3.02Å; W228-Q231 HydrophobicContact CE3-CG 3.88Å; W228-Q231 HydrophobicContact CZ3-CG 4.24Å; W228-Q231 WeakPolarHBondContact O-CB 3.39Å; W228-Q231 PolarHBondContact O-N 2.8Å; W228-Q231 VanDerWaalsContact O-N 3.1Å; W228-Y285 HydrophobicContact CH2-CG 4.35Å; W228-Y285 HydrophobicContact CZ3-CD2 4.27Å; W228-Y285 HydrophobicContact CZ3-CG 4.24Å; W228-T287 HydrophobicContact CD2-CG2 4.09Å; W228-T287 HydrophobicContact CE3-CG2 3.92Å; W228-T287 HydrophobicContact CH2-CG2 4.09Å; W228-T287 HydrophobicContact CZ2-CG2 4.21Å; W228-T287 HydrophobicContact CZ3-CG2 3.94Å; W228-L292 HydrophobicContact CZ2-CD1 4.49Å; W228-F301 HydrophobicContact CH2-CE2 4.36Å; W228-F301 HydrophobicContact CH2-CZ 4.08Å; W228-F301 HydrophobicContact CZ2-CZ 4.42Å
229S93.7Very high91.9Very high0 Ų025.8 Ų25.80%015%0.148CC..Hα-helixtrans-65.1-22.6172.276.70000114Y183 V225 K226 F227 Q231 E232 F233Y183-S229 WeakPolarHBondContact OH-CA 3.42Å; Y183-S229 WeakPolarHBondContact OH-CB 3.24Å; V225-S229 WeakPolarHBondContact O-CB 3.41Å; V225-S229 PolarHBondContact O-N 2.92Å; V225-S229 PolarHBondContact O-OG 3.11Å; K226-S229 PolarHBondContact O-N 2.94Å; K226-S229 PolarHBondContact O-OG 2.96Å; F227-S229 VanDerWaalsContact C-N 3.28Å; F227-S229 PolarHBondContact O-N 3.49Å; S229-Q231 PolarHBondContact O-N 3.14Å; S229-E232 WeakPolarHBondContact O-CB 3.49Å; S229-E232 PolarHBondContact O-N 3.37Å; S229-E232 VanDerWaalsContact O-N 3.13Å; S229-F233 VanDerWaalsContact O-CD2 3.26Å; S229-F233 WeakPolarHBondContact O-CD2 3.33Å
230L95.2Very high92.6Very high1 Ų125.1 Ų25.11%0.00514%0.144CC..Hα-helixtrans-59.9-30.8172-66.5179.1000112.3K226 F227 W228 E232 F233 F234 F249 T253 V256K226-L230 PolarHBondContact O-N 3.5Å; F227-L230 WeakPolarHBondContact O-CB 3.35Å; F227-L230 PolarHBondContact O-N 2.9Å; F227-L230 VanDerWaalsContact O-N 3.14Å; W228-L230 PolarHBondContact O-N 3.02Å; L230-E232 PolarHBondContact O-N 3.31Å; L230-F233 WeakPolarHBondContact O-CB 3.4Å; L230-F233 PolarHBondContact O-N 3Å; L230-F234 HydrophobicContact CB-CD2 4.41Å; L230-F234 HydrophobicContact CB-CE2 3.76Å; L230-F234 HydrophobicContact CB-CZ 4.11Å; L230-F234 WeakPolarHBondContact O-CD2 3.38Å; L230-F234 PolarHBondContact O-N 3.37Å; L230-F249 HydrophobicContact CD2-CD2 4.07Å; L230-F249 HydrophobicContact CD2-CE2 4.32Å; L230-T253 WeakPolarHBondContact CD2-OG1 3.25Å; L230-V256 HydrophobicContact CD1-CB 4.1Å; L230-V256 HydrophobicContact CD1-CG1 4.34Å; L230-V256 HydrophobicContact CD1-CG2 3.85Å
231Q93.5Very high93Very high11 Ų1122.8 Ų22.85%0.05113%0.128CC..Hα-helixtrans-65.3-26.5178.2-62.2-62.9-32.800112.8I181 W228 S229 F233 K235I181-Q231 HydrophobicContact CB-CB 4.35Å; I181-Q231 HydrophobicContact CD1-CB 3.81Å; I181-Q231 HydrophobicContact CD1-CG 3.89Å; I181-Q231 HydrophobicContact CG2-CB 4.41Å; I181-Q231 HydrophobicContact CG2-CG 4.4Å; W228-Q231 HydrophobicContact CE3-CG 3.88Å; W228-Q231 HydrophobicContact CZ3-CG 4.24Å; W228-Q231 WeakPolarHBondContact O-CB 3.39Å; W228-Q231 PolarHBondContact O-N 2.8Å; W228-Q231 VanDerWaalsContact O-N 3.1Å; S229-Q231 PolarHBondContact O-N 3.14Å; Q231-F233 VanDerWaalsContact C-N 3.29Å; Q231-F233 PolarHBondContact O-N 3.22Å; Q231-K235 WeakPolarHBondContact O-CB 3.45Å; Q231-K235 PolarHBondContact O-N 2.89Å
232E92.6Very high93.2Very high52 Ų5226 Ų2624%0.24314%0.14CC..Hα-helixtrans-63-38.2171.9-57.6-171.5149.400111K185 S229 L230 S236 R248K185-E232 WeakPolarHBondContact CE-OE1 3.45Å; K185-E232 IonicContact NZ-OE1 2.72Å; K185-E232 PolarHBondContact NZ-OE1 3.2Å; S229-E232 WeakPolarHBondContact O-CB 3.49Å; S229-E232 PolarHBondContact O-N 3.37Å; S229-E232 VanDerWaalsContact O-N 3.13Å; L230-E232 PolarHBondContact O-N 3.31Å; E232-S236 PolarHBondContact O-N 2.95Å; E232-S236 VanDerWaalsContact O-N 3.07Å; E232-R248 IonicContact OE2-NH1 2.78Å
233F94.4Very high93.3Very high3 Ų333.5 Ų33.51%0.01316%0.163CC..Hα-helixtrans-77.5-39178.8-60.8-84.6000112.8S229 L230 Q231 K235 S236 P237 L239 K245 R248 F249 L312S229-F233 VanDerWaalsContact O-CD2 3.26Å; S229-F233 WeakPolarHBondContact O-CD2 3.33Å; L230-F233 WeakPolarHBondContact O-CB 3.4Å; L230-F233 PolarHBondContact O-N 3Å; Q231-F233 VanDerWaalsContact C-N 3.29Å; Q231-F233 PolarHBondContact O-N 3.22Å; F233-K235 VanDerWaalsContact C-N 3.32Å; F233-K235 PolarHBondContact O-N 3.36Å; F233-S236 CarbonylContact O-C 3.59Å; F233-S236 PolarHBondContact O-N 3.37Å; F233-P237 WeakPolarHBondContact O-CA 3.49Å; F233-P237 VanDerWaalsContact O-N 3.12Å; F233-L239 HydrophobicContact CD1-CB 4.06Å; F233-L239 HydrophobicContact CE1-CB 4.27Å; F233-K245 HydrophobicContact CE1-CB 3.95Å; F233-K245 VanDerWaalsContact CE1-O 3.29Å; F233-K245 WeakPolarHBondContact CE1-O 3.45Å; F233-K245 HydrophobicContact CZ-CB 4.37Å; F233-K245 VanDerWaalsContact CZ-O 3.28Å; F233-K245 WeakPolarHBondContact CZ-O 3.4Å; F233-R248 HydrophobicContact CZ-CB 4.34Å; F233-R248 HydrophobicContact CZ-CG 4.41Å; F233-F249 HydrophobicContact CB-CD2 3.94Å; F233-F249 HydrophobicContact CB-CE2 4.33Å; F233-F249 HydrophobicContact CD1-CB 3.9Å; F233-F249 HydrophobicContact CD1-CD2 4.13Å; F233-F249 HydrophobicContact CD1-CG 4.25Å; F233-F249 HydrophobicContact CD2-CB 4.35Å; F233-F249 HydrophobicContact CD2-CD2 4.05Å; F233-F249 HydrophobicContact CE1-CB 3.65Å; F233-F249 HydrophobicContact CE1-CG 4.49Å; F233-F249 HydrophobicContact CE2-CB 4.14Å; F233-F249 HydrophobicContact CG-CB 4.24Å; F233-F249 AromaticContact CG-CD2 3.78Å; F233-F249 HydrophobicContact CG-CD2 3.78Å; F233-F249 HydrophobicContact CG-CG 4.35Å; F233-F249 HydrophobicContact CZ-CB 3.78Å; F233-L312 HydrophobicContact CB-CD2 4.47Å
234F94.2Very high93.4Very high32 Ų3236.8 Ų36.814%0.1419%0.192CC..Hα-helixtrans-63.8-38.6173.4-59.7-42.9000112L230 Q308 L309 L312L230-F234 HydrophobicContact CB-CD2 4.41Å; L230-F234 HydrophobicContact CB-CE2 3.76Å; L230-F234 HydrophobicContact CB-CZ 4.11Å; L230-F234 WeakPolarHBondContact O-CD2 3.38Å; L230-F234 PolarHBondContact O-N 3.37Å; F234-Q308 HydrophobicContact CD1-CB 4.06Å; F234-Q308 HydrophobicContact CD2-CB 4.09Å; F234-Q308 HydrophobicContact CE1-CB 3.99Å; F234-Q308 HydrophobicContact CE2-CB 4.02Å; F234-Q308 HydrophobicContact CG-CB 4.14Å; F234-Q308 HydrophobicContact CZ-CB 3.99Å; F234-L309 HydrophobicContact CE1-CD2 3.8Å; F234-L309 HydrophobicContact CE1-CG 4.08Å; F234-L309 HydrophobicContact CZ-CD2 3.72Å; F234-L309 HydrophobicContact CZ-CG 3.83Å; F234-L312 HydrophobicContact CD1-CB 4.11Å; F234-L312 HydrophobicContact CD1-CD2 3.74Å; F234-L312 HydrophobicContact CE1-CB 4.28Å; F234-L312 HydrophobicContact CE1-CD2 3.82Å
235K92Very high93.5Very high49 Ų4940 Ų4021%0.21321%0.206CC..Hα-helixtrans-65.8-42.5174.5175.6178.3174.71640112.4S177 K179 D180 Q231 F233S177-K235 WeakPolarHBondContact O-CE 3.49Å; S177-K235 PolarHBondContact O-NZ 3.26Å; K179-K235 VanDerWaalsContact O-CD 3.3Å; K179-K235 WeakPolarHBondContact O-CD 3.49Å; K179-K235 WeakPolarHBondContact O-CE 3.37Å; K179-K235 PolarHBondContact O-NZ 3.14Å; D180-K235 IonicContact OD1-NZ 2.69Å; D180-K235 PolarHBondContact OD1-NZ 3.4Å; Q231-K235 WeakPolarHBondContact O-CB 3.45Å; Q231-K235 PolarHBondContact O-N 2.89Å; F233-K235 VanDerWaalsContact C-N 3.32Å; F233-K235 PolarHBondContact O-N 3.36Å
236S92Very high93.6Very high31 Ų3139.5 Ų39.522%0.21720%0.2CC..  trans-130.877.9-175.6-64.60000112E232 F233 A238 L239E232-S236 PolarHBondContact O-N 2.95Å; E232-S236 VanDerWaalsContact O-N 3.07Å; F233-S236 CarbonylContact O-C 3.59Å; F233-S236 PolarHBondContact O-N 3.37Å; S236-A238 PolarHBondContact O-N 3.16Å; S236-L239 WeakPolarHBondContact O-CB 3.35Å; S236-L239 VanDerWaalsContact O-CG 3.28Å; S236-L239 WeakPolarHBondContact O-CG 3.45Å; S236-L239 PolarHBondContact O-N 2.94Å
237P93.2Very high93.8Very high8 Ų841.6 Ų41.65%0.05221%0.214CC..G310 helixtrans-57.2-19.4179.7-30.338.8000115.4F175 F233 L239 C240 L312 Y315F175-P237 HydrophobicContact CD1-CG 4.2Å; F175-P237 HydrophobicContact CE1-CB 4.3Å; F175-P237 HydrophobicContact CE1-CG 3.61Å; F175-P237 HydrophobicContact CZ-CB 4.04Å; F175-P237 HydrophobicContact CZ-CG 3.85Å; F233-P237 WeakPolarHBondContact O-CA 3.49Å; F233-P237 VanDerWaalsContact O-N 3.12Å; P237-L239 PolarHBondContact O-N 3.44Å; P237-C240 WeakPolarHBondContact O-CB 3.38Å; P237-C240 PolarHBondContact O-N 3.44Å; P237-L312 HydrophobicContact CB-CD1 3.61Å; P237-L312 HydrophobicContact CG-CD1 3.84Å; P237-Y315 HydrophobicContact CB-CD1 3.41Å; P237-Y315 VanDerWaalsContact CB-CD1 3.41Å; P237-Y315 HydrophobicContact CB-CE1 3.4Å; P237-Y315 HydrophobicContact CB-CG 4.33Å; P237-Y315 HydrophobicContact CG-CD1 4.23Å; P237-Y315 HydrophobicContact CG-CE1 4.44Å
238A91.4Very high93.8Very high34 Ų3446.3 Ų46.328%0.28123%0.232SC..G310 helixtrans-62-23.5172.800000113.6S236 C240 Y241S236-A238 PolarHBondContact O-N 3.16Å; A238-C240 PolarHBondContact O-N 3.24Å; A238-Y241 WeakPolarHBondContact O-CD2 3.33Å; A238-Y241 PolarHBondContact O-N 3.4Å
239L93Very high93.9Very high40 Ų4046.3 Ų46.321%0.20923%0.232CC..G310 helixtrans-65.3-23.9177.9-62.7178.9000112.7F233 S236 P237 Y241 E242 K245F233-L239 HydrophobicContact CD1-CB 4.06Å; F233-L239 HydrophobicContact CE1-CB 4.27Å; S236-L239 WeakPolarHBondContact O-CB 3.35Å; S236-L239 VanDerWaalsContact O-CG 3.28Å; S236-L239 WeakPolarHBondContact O-CG 3.45Å; S236-L239 PolarHBondContact O-N 2.94Å; P237-L239 PolarHBondContact O-N 3.44Å; L239-Y241 PolarHBondContact O-N 3.48Å; L239-E242 PolarHBondContact O-N 3.07Å; L239-K245 HydrophobicContact CB-CD 4.02Å; L239-K245 HydrophobicContact CD2-CD 3.79Å; L239-K245 HydrophobicContact CG-CD 4.36Å; L239-K245 WeakPolarHBondContact O-CB 3.22Å
240C94.2Very high94Very high0 Ų047.2 Ų47.20%024%0.238CC..G310 helixtrans-68.1-15.2179.9-63.40000113.8P237 A238 W246 L316P237-C240 WeakPolarHBondContact O-CB 3.38Å; P237-C240 PolarHBondContact O-N 3.44Å; A238-C240 PolarHBondContact O-N 3.24Å; C240-W246 HydrophobicContact CB-CE3 3.88Å; C240-W246 HydrophobicContact CB-CZ3 4.03Å; C240-L316 HydrophobicContact CB-CD1 4.3Å; C240-L316 HydrophobicContact CB-CD2 3.77Å
241Y92.8Very high94.1Very high41 Ų4150.1 Ų50.116%0.16126%0.258CS..G310 helixtrans-86.3-9.5176.6-57.2-82.6000113A238 L239 Y315 L316 K323 Q327 L329A238-Y241 WeakPolarHBondContact O-CD2 3.33Å; A238-Y241 PolarHBondContact O-N 3.4Å; L239-Y241 PolarHBondContact O-N 3.48Å; Y241-Y315 HydrophobicContact CE2-CE1 4.49Å; Y241-L316 HydrophobicContact CE2-CD2 4.13Å; Y241-K323 VanDerWaalsContact OH-CE 3.31Å; Y241-K323 WeakPolarHBondContact OH-CE 3.28Å; Y241-K323 PolarHBondContact OH-NZ 2.97Å; Y241-K323 VanDerWaalsContact OH-NZ 3.14Å; Y241-Q327 HydrophobicContact CD1-CB 4.08Å; Y241-Q327 HydrophobicContact CD1-CG 4.4Å; Y241-Q327 HydrophobicContact CD2-CB 4.04Å; Y241-Q327 HydrophobicContact CD2-CG 3.68Å; Y241-Q327 HydrophobicContact CE1-CB 3.99Å; Y241-Q327 VanDerWaalsContact CE1-O 3.32Å; Y241-Q327 WeakPolarHBondContact CE1-O 3.28Å; Y241-Q327 HydrophobicContact CE2-CB 3.96Å; Y241-Q327 HydrophobicContact CE2-CG 3.98Å; Y241-Q327 HydrophobicContact CG-CB 4.11Å; Y241-Q327 HydrophobicContact CG-CG 3.91Å; Y241-L329 HydrophobicContact CD1-CD2 4.19Å; Y241-L329 HydrophobicContact CE1-CD2 3.93Å; Y241-L329 HydrophobicContact CE1-CG 4.3Å
242E93.3Very high94.2Very high90 Ų9049.8 Ų49.842%0.42126%0.257SS..SBendtrans-86.3121.1174.3-67.4176.8-126.800111.1L239 A244 K245 W246L239-E242 PolarHBondContact O-N 3.07Å; E242-A244 VanDerWaalsContact C-N 3.33Å; E242-A244 PolarHBondContact O-N 3.37Å; E242-A244 VanDerWaalsContact O-N 3.13Å; E242-K245 HydrophobicContact CB-CB 4.14Å; E242-K245 HydrophobicContact CB-CD 4.24Å; E242-K245 HydrophobicContact CB-CG 4.24Å; E242-K245 PolarHBondContact O-N 3.18Å; E242-K245 IonicContact OE1-NZ 3.17Å; E242-K245 PolarHBondContact OE1-NZ 3.27Å; E242-K245 WeakPolarHBondContact OE2-CD 3.36Å; E242-K245 WeakPolarHBondContact OE2-CE 3.36Å; E242-K245 IonicContact OE2-NZ 3.41Å; E242-K245 PolarHBondContact OE2-NZ 2.91Å; E242-W246 PolarHBondContact O-N 3.43Å
243K92.4Very high94.4Very high188 Ų18847.3 Ų47.382%0.81725%0.245SC*.Hα-helixtrans-48.8-46-173.2-65.4-173.8178.5-176.30114.8L247K243-L247 PolarHBondContact O-N 3.02Å
244A94.7Very high94.5Very high80 Ų8049 Ų4966%0.66126%0.255SS*.Hα-helixtrans-69.7-38.1-178.900000112.6E242 R248E242-A244 VanDerWaalsContact C-N 3.33Å; E242-A244 PolarHBondContact O-N 3.37Å; E242-A244 VanDerWaalsContact O-N 3.13Å; A244-R248 PolarHBondContact O-N 2.9Å
245K95.3Very high94.5Very high72 Ų7249 Ų4931%0.31326%0.257SS..Hα-helixtrans-74.3-34.4178.2-64.2-175.5-179.4144.80111.2F233 L239 E242 R248 F249F233-K245 HydrophobicContact CE1-CB 3.95Å; F233-K245 VanDerWaalsContact CE1-O 3.29Å; F233-K245 WeakPolarHBondContact CE1-O 3.45Å; F233-K245 HydrophobicContact CZ-CB 4.37Å; F233-K245 VanDerWaalsContact CZ-O 3.28Å; F233-K245 WeakPolarHBondContact CZ-O 3.4Å; L239-K245 HydrophobicContact CB-CD 4.02Å; L239-K245 HydrophobicContact CD2-CD 3.79Å; L239-K245 HydrophobicContact CG-CD 4.36Å; L239-K245 WeakPolarHBondContact O-CB 3.22Å; E242-K245 HydrophobicContact CB-CB 4.14Å; E242-K245 HydrophobicContact CB-CD 4.24Å; E242-K245 HydrophobicContact CB-CG 4.24Å; E242-K245 PolarHBondContact O-N 3.18Å; E242-K245 IonicContact OE1-NZ 3.17Å; E242-K245 PolarHBondContact OE1-NZ 3.27Å; E242-K245 WeakPolarHBondContact OE2-CD 3.36Å; E242-K245 WeakPolarHBondContact OE2-CE 3.36Å; E242-K245 IonicContact OE2-NZ 3.41Å; E242-K245 PolarHBondContact OE2-NZ 2.91Å; K245-R248 PolarHBondContact O-N 3.3Å; K245-F249 WeakPolarHBondContact O-CB 3.43Å; K245-F249 PolarHBondContact O-N 3.28Å
246W96Very high94.5Very high21 Ų2146.8 Ų46.88%0.0825%0.248CC..Hα-helixtrans-57-48.8171.5179.9-101.1000112.4C240 E242 R248 F249 T250 L316 L329 Q333 W336 V337C240-W246 HydrophobicContact CB-CE3 3.88Å; C240-W246 HydrophobicContact CB-CZ3 4.03Å; E242-W246 PolarHBondContact O-N 3.43Å; W246-R248 VanDerWaalsContact C-N 3.29Å; W246-R248 PolarHBondContact O-N 2.88Å; W246-F249 AromaticContact CE3-CD1 3.9Å; W246-F249 HydrophobicContact CE3-CD1 3.9Å; W246-F249 HydrophobicContact CH2-CD1 4.3Å; W246-F249 HydrophobicContact CH2-CE1 4.25Å; W246-F249 AromaticContact CZ3-CD1 3.74Å; W246-F249 HydrophobicContact CZ3-CD1 3.74Å; W246-F249 AromaticContact CZ3-CE1 3.89Å; W246-F249 HydrophobicContact CZ3-CE1 3.89Å; W246-F249 WeakPolarHBondContact O-CB 3.23Å; W246-F249 PolarHBondContact O-N 3.36Å; W246-F249 VanDerWaalsContact O-N 3.12Å; W246-T250 HydrophobicContact CD2-CG2 4.12Å; W246-T250 HydrophobicContact CG-CG2 4.49Å; W246-T250 HydrophobicContact CH2-CG2 4.47Å; W246-T250 HydrophobicContact CZ2-CG2 3.73Å; W246-T250 PolarHBondContact O-N 3.01Å; W246-T250 PolarHBondContact O-OG1 3.25Å; W246-L316 HydrophobicContact CZ3-CD1 4.18Å; W246-L329 HydrophobicContact CZ3-CD2 4.49Å; W246-Q333 HydrophobicContact CD2-CG 4.37Å; W246-Q333 VanDerWaalsContact CG-NE2 3.31Å; W246-Q333 HydrophobicContact CH2-CB 4.33Å; W246-Q333 HydrophobicContact CZ2-CB 3.78Å; W246-Q333 HydrophobicContact CZ2-CG 3.8Å; W246-W336 AromaticContact CH2-CE3 3.98Å; W246-W336 HydrophobicContact CH2-CE3 3.98Å; W246-W336 HydrophobicContact CH2-CZ3 4.21Å; W246-W336 HydrophobicContact CZ2-CD2 4.39Å; W246-W336 AromaticContact CZ2-CE3 3.88Å; W246-W336 HydrophobicContact CZ2-CE3 3.88Å; W246-W336 HydrophobicContact CZ2-CZ3 4.41Å; W246-V337 HydrophobicContact CH2-CG2 3.79Å
247L95.9Very high94.6Very high118 Ų11845.5 Ų45.562%0.61824%0.238SC*.Hα-helixtrans-60.7-37.7177.6-69170.6000112.5K243 T250 S251K243-L247 PolarHBondContact O-N 3.02Å; L247-T250 PolarHBondContact O-OG1 3.03Å; L247-S251 VanDerWaalsContact O-CB 3.3Å; L247-S251 WeakPolarHBondContact O-CB 3.48Å; L247-S251 PolarHBondContact O-N 2.79Å; L247-S251 VanDerWaalsContact O-N 3.1Å
248R95.5Very high94.6Very high102 Ų10250.2 Ų50.239%0.38526%0.263SS..Hα-helixtrans-66.5-42173.8-176.9179.2-178.2-167.81.8111.9E232 F233 A244 K245 W246 S252E232-R248 IonicContact OE2-NH1 2.78Å; F233-R248 HydrophobicContact CZ-CB 4.34Å; F233-R248 HydrophobicContact CZ-CG 4.41Å; A244-R248 PolarHBondContact O-N 2.9Å; K245-R248 PolarHBondContact O-N 3.3Å; W246-R248 VanDerWaalsContact C-N 3.29Å; W246-R248 PolarHBondContact O-N 2.88Å; R248-S252 WeakPolarHBondContact O-CB 3.42Å; R248-S252 PolarHBondContact O-N 3.11Å; R248-S252 PolarHBondContact O-OG 3.21Å
249F96.7Very high94.6Very high0 Ų049.7 Ų49.70%026%0.257CS..Hα-helixtrans-59.5-56.3175.8172.1-112.9000110.8L230 F233 K245 W246 S251 S252 T253 L312 F313 W336L230-F249 HydrophobicContact CD2-CD2 4.07Å; L230-F249 HydrophobicContact CD2-CE2 4.32Å; F233-F249 HydrophobicContact CB-CD2 3.94Å; F233-F249 HydrophobicContact CB-CE2 4.33Å; F233-F249 HydrophobicContact CD1-CB 3.9Å; F233-F249 HydrophobicContact CD1-CD2 4.13Å; F233-F249 HydrophobicContact CD1-CG 4.25Å; F233-F249 HydrophobicContact CD2-CB 4.35Å; F233-F249 HydrophobicContact CD2-CD2 4.05Å; F233-F249 HydrophobicContact CE1-CB 3.65Å; F233-F249 HydrophobicContact CE1-CG 4.49Å; F233-F249 HydrophobicContact CE2-CB 4.14Å; F233-F249 HydrophobicContact CG-CB 4.24Å; F233-F249 AromaticContact CG-CD2 3.78Å; F233-F249 HydrophobicContact CG-CD2 3.78Å; F233-F249 HydrophobicContact CG-CG 4.35Å; F233-F249 HydrophobicContact CZ-CB 3.78Å; K245-F249 WeakPolarHBondContact O-CB 3.43Å; K245-F249 PolarHBondContact O-N 3.28Å; W246-F249 AromaticContact CE3-CD1 3.9Å; W246-F249 HydrophobicContact CE3-CD1 3.9Å; W246-F249 HydrophobicContact CH2-CD1 4.3Å; W246-F249 HydrophobicContact CH2-CE1 4.25Å; W246-F249 AromaticContact CZ3-CD1 3.74Å; W246-F249 HydrophobicContact CZ3-CD1 3.74Å; W246-F249 AromaticContact CZ3-CE1 3.89Å; W246-F249 HydrophobicContact CZ3-CE1 3.89Å; W246-F249 WeakPolarHBondContact O-CB 3.23Å; W246-F249 PolarHBondContact O-N 3.36Å; W246-F249 VanDerWaalsContact O-N 3.12Å; F249-S251 VanDerWaalsContact C-N 3.33Å; F249-S251 PolarHBondContact O-N 3.21Å; F249-S252 PolarHBondContact O-N 2.83Å; F249-S252 VanDerWaalsContact O-N 3.17Å; F249-T253 WeakPolarHBondContact CE2-OG1 3.45Å; F249-T253 WeakPolarHBondContact O-CB 3.34Å; F249-T253 PolarHBondContact O-N 2.79Å; F249-T253 PolarHBondContact O-OG1 2.78Å; F249-L312 HydrophobicContact CD2-CD2 4.47Å; F249-L312 HydrophobicContact CE2-CD2 3.44Å; F249-L312 VanDerWaalsContact CE2-CD2 3.44Å; F249-L312 HydrophobicContact CZ-CD2 3.5Å; F249-L312 VanDerWaalsContact CZ-CD2 3.5Å; F249-L312 HydrophobicContact CZ-CG 4.43Å; F249-F313 HydrophobicContact CE1-CE1 4.33Å; F249-F313 AromaticContact CZ-CE1 3.95Å; F249-F313 HydrophobicContact CZ-CE1 3.95Å; F249-W336 HydrophobicContact CD1-CH2 4.45Å; F249-W336 HydrophobicContact CD1-CZ3 4.42Å; F249-W336 HydrophobicContact CE1-CH2 4.02Å; F249-W336 AromaticContact CE1-CZ3 3.79Å; F249-W336 HydrophobicContact CE1-CZ3 3.79Å
250T96.6Very high94.4Very high19 Ų1948 Ų4812%0.11725%0.248CC..Hα-helixtrans-59.7-42.7-178.458.20000111.9W246 L247 T253 D254 W336W246-T250 HydrophobicContact CD2-CG2 4.12Å; W246-T250 HydrophobicContact CG-CG2 4.49Å; W246-T250 HydrophobicContact CH2-CG2 4.47Å; W246-T250 HydrophobicContact CZ2-CG2 3.73Å; W246-T250 PolarHBondContact O-N 3.01Å; W246-T250 PolarHBondContact O-OG1 3.25Å; L247-T250 PolarHBondContact O-OG1 3.03Å; T250-T253 PolarHBondContact O-N 2.66Å; T250-D254 WeakPolarHBondContact O-CB 3.45Å; T250-D254 PolarHBondContact O-N 2.76Å; T250-W336 HydrophobicContact CG2-CD2 3.87Å; T250-W336 HydrophobicContact CG2-CE3 4.07Å; T250-W336 HydrophobicContact CG2-CH2 3.84Å; T250-W336 HydrophobicContact CG2-CZ2 3.6Å; T250-W336 HydrophobicContact CG2-CZ3 4.07Å
251S96.2Very high94.1Very high61 Ų6151 Ų5143%0.42727%0.269SS..Hα-helixtrans-64.2-40.9177.1-178.40000113.2L247 F249 T255L247-S251 VanDerWaalsContact O-CB 3.3Å; L247-S251 WeakPolarHBondContact O-CB 3.48Å; L247-S251 PolarHBondContact O-N 2.79Å; L247-S251 VanDerWaalsContact O-N 3.1Å; F249-S251 VanDerWaalsContact C-N 3.33Å; F249-S251 PolarHBondContact O-N 3.21Å; S251-T255 WeakPolarHBondContact O-CB 3.43Å; S251-T255 PolarHBondContact O-N 3.5Å; S251-T255 VanDerWaalsContact O-N 3.14Å; S251-T255 PolarHBondContact O-OG1 3.2Å
252S95.7Very high93.9Very high4 Ų452.7 Ų52.73%0.02829%0.287CS..Hα-helixtrans-71.8-40.3178.1-56.30000111.5R248 F249 V256R248-S252 WeakPolarHBondContact O-CB 3.42Å; R248-S252 PolarHBondContact O-N 3.11Å; R248-S252 PolarHBondContact O-OG 3.21Å; F249-S252 PolarHBondContact O-N 2.83Å; F249-S252 VanDerWaalsContact O-N 3.17Å; S252-V256 WeakPolarHBondContact O-CG2 3.37Å; S252-V256 PolarHBondContact O-N 3.25Å
253T96.6Very high93.4Very high0 Ų049.5 Ų49.50%027%0.272CS..Hα-helixtrans-64.7-49.9177-64.60000111.2L230 F249 T250 T255 V256 L257 L309 F313 W336L230-T253 WeakPolarHBondContact CD2-OG1 3.25Å; F249-T253 WeakPolarHBondContact CE2-OG1 3.45Å; F249-T253 WeakPolarHBondContact O-CB 3.34Å; F249-T253 PolarHBondContact O-N 2.79Å; F249-T253 PolarHBondContact O-OG1 2.78Å; T250-T253 PolarHBondContact O-N 2.66Å; T253-T255 VanDerWaalsContact C-N 3.33Å; T253-T255 PolarHBondContact O-N 3.1Å; T253-V256 PolarHBondContact O-N 3.14Å; T253-V256 VanDerWaalsContact O-N 3.16Å; T253-L257 HydrophobicContact CG2-CD1 3.79Å; T253-L257 HydrophobicContact CG2-CG 4.15Å; T253-L257 VanDerWaalsContact O-CG 3.32Å; T253-L257 WeakPolarHBondContact O-CG 3.4Å; T253-L257 PolarHBondContact O-N 2.96Å; T253-L309 HydrophobicContact CG2-CD2 3.87Å; T253-F313 HydrophobicContact CG2-CZ 4.36Å; T253-W336 HydrophobicContact CG2-CH2 3.91Å; T253-W336 HydrophobicContact CG2-CZ2 4.45Å
254D96Very high92.3Very high39 Ų3949.9 Ų49.921%0.20927%0.274CS..Hα-helixtrans-58.7-45.8178.3-73.1-18.9000110.2T250 V256 L257 D258 W336 R340T250-D254 WeakPolarHBondContact O-CB 3.45Å; T250-D254 PolarHBondContact O-N 2.76Å; D254-V256 VanDerWaalsContact C-N 3.34Å; D254-V256 PolarHBondContact O-N 3.32Å; D254-L257 PolarHBondContact O-N 2.7Å; D254-D258 WeakPolarHBondContact O-CB 3.4Å; D254-D258 PolarHBondContact O-N 3.42Å; D254-W336 WeakPolarHBondContact OD1-CZ2 3.43Å; D254-R340 VanDerWaalsContact CG-NH2 3.3Å; D254-R340 IonicContact OD1-CZ 3.69Å; D254-R340 IonicContact OD1-NE 3.76Å; D254-R340 PolarHBondContact OD1-NE 3.46Å; D254-R340 IonicContact OD1-NH2 2.79Å; D254-R340 PolarHBondContact OD1-NH2 2.75Å; D254-R340 IonicContact OD2-CZ 3.67Å; D254-R340 IonicContact OD2-NE 3.81Å; D254-R340 IonicContact OD2-NH2 2.7Å; D254-R340 PolarHBondContact OD2-NH2 3.34Å
255T94.1Very high90.9Very high32 Ų3248.3 Ų48.320%0.19625%0.254CS..Hα-helixtrans-56.6-43.3175.6-51.40000113L223 K226 S251 T253 V259L223-T255 HydrophobicContact CD1-CG2 4.3Å; K226-T255 HydrophobicContact CD-CG2 3.77Å; K226-T255 PolarHBondContact NZ-OG1 3.11Å; S251-T255 WeakPolarHBondContact O-CB 3.43Å; S251-T255 PolarHBondContact O-N 3.5Å; S251-T255 VanDerWaalsContact O-N 3.14Å; S251-T255 PolarHBondContact O-OG1 3.2Å; T253-T255 VanDerWaalsContact C-N 3.33Å; T253-T255 PolarHBondContact O-N 3.1Å; T255-V259 VanDerWaalsContact O-CG2 3.3Å; T255-V259 WeakPolarHBondContact O-CG2 3.24Å; T255-V259 PolarHBondContact O-N 2.99Å
256V93.8Very high88.9Confident2 Ų253.2 Ų53.21%0.01228%0.28CS..Hα-helixtrans-73.5-34.9-178.8170.70000111.8F227 L230 S252 T253 D254 V259 F260F227-V256 HydrophobicContact CB-CG2 4.15Å; F227-V256 HydrophobicContact CD2-CG1 3.97Å; F227-V256 HydrophobicContact CD2-CG2 3.84Å; F227-V256 HydrophobicContact CE2-CG1 4.22Å; F227-V256 HydrophobicContact CG-CG2 4.47Å; L230-V256 HydrophobicContact CD1-CB 4.1Å; L230-V256 HydrophobicContact CD1-CG1 4.34Å; L230-V256 HydrophobicContact CD1-CG2 3.85Å; S252-V256 WeakPolarHBondContact O-CG2 3.37Å; S252-V256 PolarHBondContact O-N 3.25Å; T253-V256 PolarHBondContact O-N 3.14Å; T253-V256 VanDerWaalsContact O-N 3.16Å; D254-V256 VanDerWaalsContact C-N 3.34Å; D254-V256 PolarHBondContact O-N 3.32Å; V256-V259 PolarHBondContact O-N 3.19Å; V256-F260 HydrophobicContact CG1-CD2 4.18Å; V256-F260 HydrophobicContact CG1-CE1 4.28Å; V256-F260 HydrophobicContact CG1-CE2 3.84Å; V256-F260 HydrophobicContact CG1-CZ 3.9Å; V256-F260 WeakPolarHBondContact O-CB 3.32Å; V256-F260 WeakPolarHBondContact O-CG 3.31Å; V256-F260 PolarHBondContact O-N 3.25Å
257L93.5Very high86.6Confident4 Ų455.4 Ų55.42%0.02130%0.303CS..Hα-helixtrans-69.6-36.4174.8-66.9-179.4000112T253 D254 F260 S261 L309 R340 V344 L347T253-L257 HydrophobicContact CG2-CD1 3.79Å; T253-L257 HydrophobicContact CG2-CG 4.15Å; T253-L257 VanDerWaalsContact O-CG 3.32Å; T253-L257 WeakPolarHBondContact O-CG 3.4Å; T253-L257 PolarHBondContact O-N 2.96Å; D254-L257 PolarHBondContact O-N 2.7Å; L257-F260 HydrophobicContact CD2-CD2 4.48Å; L257-F260 PolarHBondContact O-N 3.48Å; L257-S261 WeakPolarHBondContact O-CB 3.39Å; L257-S261 PolarHBondContact O-N 3.41Å; L257-S261 PolarHBondContact O-OG 2.97Å; L257-L309 HydrophobicContact CD2-CD1 3.87Å; L257-R340 HydrophobicContact CD1-CB 4.48Å; L257-R340 HydrophobicContact CD1-CG 4.11Å; L257-V344 HydrophobicContact CD1-CG2 3.9Å; L257-V344 HydrophobicContact CD2-CG2 3.63Å; L257-V344 HydrophobicContact CG-CG2 4.44Å; L257-L347 HydrophobicContact CD2-CD1 4Å
258D92.2Very high84.3Confident108 Ų10856.1 Ų56.158%0.57831%0.306SS*.Hα-helixtrans-62.8-44.5173.6-67.3-25.2000110.8D254 S261 S262D254-D258 WeakPolarHBondContact O-CB 3.4Å; D254-D258 PolarHBondContact O-N 3.42Å; D258-S261 WeakPolarHBondContact O-CB 3.32Å; D258-S261 PolarHBondContact O-N 2.87Å; D258-S261 VanDerWaalsContact O-N 3.15Å; D258-S262 PolarHBondContact O-N 3.29Å
259V91.4Very high81.8Confident23 Ų2359.3 Ų59.314%0.13933%0.325CS..Hα-helixtrans-63.9-41.7174.6170.30000112L217 L223 T255 V256 S261 S262 I263 L296L217-V259 HydrophobicContact CD1-CG1 4.36Å; L217-V259 HydrophobicContact CD2-CG1 4.14Å; L223-V259 HydrophobicContact CD1-CG2 3.93Å; L223-V259 HydrophobicContact CD2-CG1 4.31Å; L223-V259 HydrophobicContact CD2-CG2 4.13Å; T255-V259 VanDerWaalsContact O-CG2 3.3Å; T255-V259 WeakPolarHBondContact O-CG2 3.24Å; T255-V259 PolarHBondContact O-N 2.99Å; V256-V259 PolarHBondContact O-N 3.19Å; V259-S261 PolarHBondContact O-N 3.05Å; V259-S262 PolarHBondContact O-N 3.04Å; V259-S262 PolarHBondContact O-OG 3.38Å; V259-I263 HydrophobicContact CG1-CD1 4.01Å; V259-I263 WeakPolarHBondContact O-CD1 3.27Å; V259-I263 WeakPolarHBondContact O-CG1 3.39Å; V259-I263 PolarHBondContact O-N 2.94Å; V259-L296 HydrophobicContact CG1-CD1 4.3Å
260F90.5Very high79.3Confident4 Ų465.4 Ų65.42%0.01835%0.353CS..Hα-helixtrans-66.5-27.4173.8-73-11.7000113F227 V256 L257 L296 R302 I305 I306 L347F227-F260 HydrophobicContact CE2-CZ 4.23Å; V256-F260 HydrophobicContact CG1-CD2 4.18Å; V256-F260 HydrophobicContact CG1-CE1 4.28Å; V256-F260 HydrophobicContact CG1-CE2 3.84Å; V256-F260 HydrophobicContact CG1-CZ 3.9Å; V256-F260 WeakPolarHBondContact O-CB 3.32Å; V256-F260 WeakPolarHBondContact O-CG 3.31Å; V256-F260 PolarHBondContact O-N 3.25Å; L257-F260 HydrophobicContact CD2-CD2 4.48Å; L257-F260 PolarHBondContact O-N 3.48Å; F260-L296 HydrophobicContact CD1-CD2 4.29Å; F260-L296 HydrophobicContact CE1-CD2 3.59Å; F260-R302 HydrophobicContact CD1-CG 4.1Å; F260-R302 HydrophobicContact CE1-CB 4.46Å; F260-R302 HydrophobicContact CE1-CG 3.77Å; F260-R302 HydrophobicContact CZ-CB 4.39Å; F260-R302 HydrophobicContact CZ-CG 4.16Å; F260-I305 HydrophobicContact CE2-CB 4.04Å; F260-I305 HydrophobicContact CE2-CG2 3.88Å; F260-I305 HydrophobicContact CZ-CB 3.98Å; F260-I305 HydrophobicContact CZ-CG1 4.37Å; F260-I305 HydrophobicContact CZ-CG2 4Å; F260-I306 HydrophobicContact CD2-CD1 4.27Å; F260-I306 HydrophobicContact CD2-CG1 4.1Å; F260-I306 HydrophobicContact CE2-CG1 4.09Å; F260-L347 HydrophobicContact CB-CD1 4.23Å
261S87.8Confident76.7Confident63 Ų6367.6 Ų67.644%0.44138%0.38SS..Hα-helixtrans-78.9-31.8176.8-56.60000112.9L257 D258 V259L257-S261 WeakPolarHBondContact O-CB 3.39Å; L257-S261 PolarHBondContact O-N 3.41Å; L257-S261 PolarHBondContact O-OG 2.97Å; D258-S261 WeakPolarHBondContact O-CB 3.32Å; D258-S261 PolarHBondContact O-N 2.87Å; D258-S261 VanDerWaalsContact O-N 3.15Å; V259-S261 PolarHBondContact O-N 3.05Å
262S87.2Confident73.7Confident77 Ų7771.6 Ų71.654%0.53840%0.396SS..Hα-helixtrans-75.8-32.5-179.866.30000112.9D258 V259 K264D258-S262 PolarHBondContact O-N 3.29Å; V259-S262 PolarHBondContact O-N 3.04Å; V259-S262 PolarHBondContact O-OG 3.38Å; S262-K264 PolarHBondContact O-N 2.65Å
263I83.3Confident71.2Confident23 Ų2377.3 Ų77.312%0.11843%0.425CS..  trans-85.798.5-177.9-47.2154.1000111.5L217 V259 L265 L296 M297 R302L217-I263 HydrophobicContact CD1-CD1 4.01Å; L217-I263 HydrophobicContact CD1-CG1 3.72Å; L217-I263 HydrophobicContact CD2-CD1 3.95Å; V259-I263 HydrophobicContact CG1-CD1 4.01Å; V259-I263 WeakPolarHBondContact O-CD1 3.27Å; V259-I263 WeakPolarHBondContact O-CG1 3.39Å; V259-I263 PolarHBondContact O-N 2.94Å; I263-L265 PolarHBondContact O-N 2.74Å; I263-L296 HydrophobicContact CD1-CB 4.38Å; I263-M297 HydrophobicContact CD1-CE 3.89Å; I263-M297 HydrophobicContact CG1-CE 4.2Å; I263-M297 HydrophobicContact CG2-CE 4.05Å; I263-M297 HydrophobicContact CG2-SD 3.75Å; I263-R302 VanDerWaalsContact CB-NH2 3.27Å; I263-R302 PolarHBondContact O-NH1 3.05Å
264K70Confident68.2Low196 Ų19682.8 Ų82.885%0.85246%0.462SS*.  trans-63.9110.8164.1-64176.6-176171.40109.6S262 M266S262-K264 PolarHBondContact O-N 2.65Å; K264-M266 PolarHBondContact O-N 3.3Å
265L65.3Low65.3Low47 Ų4785.7 Ų85.725%0.24649%0.486CS..  trans-72.8118.9171.7-73.5166.9000109.4I263 M297 P299 R302 N351I263-L265 PolarHBondContact O-N 2.74Å; L265-M297 VanDerWaalsContact CD2-O 3.25Å; L265-M297 WeakPolarHBondContact CD2-O 3.31Å; L265-P299 HydrophobicContact CD1-CB 4.02Å; L265-P299 HydrophobicContact CD1-CG 4.05Å; L265-P299 HydrophobicContact CD2-CG 4.14Å; L265-R302 VanDerWaalsContact CD2-NH2 3.31Å; L265-N351 HydrophobicContact CD1-CB 4.33Å
266M53.6Low62.5Low174 Ų17492.4 Ų92.486%0.85752%0.515SS*.  trans-65.9131.3163.5-70.5-84.9-93.600108.1K264 I268K264-M266 PolarHBondContact O-N 3.3Å; M266-I268 PolarHBondContact O-N 2.98Å
267A47Very low59.9Low68 Ų6896.9 Ų96.956%0.56255%0.547SS*.  trans-71.596179.300000110.1E269 P353A267-E269 PolarHBondContact O-N 2.66Å; A267-P353 HydrophobicContact CB-CB 4.21Å; A267-P353 HydrophobicContact CB-CG 3.8Å
268I48.1Very low57.3Low132 Ų132102.7 Ų102.768%0.67759%0.587SS**  trans-65.8120.2158.1-57.5176.5000105.8M266 E270 I273M266-I268 PolarHBondContact O-N 2.98Å; I268-E270 PolarHBondContact O-N 3.03Å; I268-I273 HydrophobicContact CG2-CD1 4.27Å
269E41.4Very low54.8Low170 Ų170102.5 Ų102.579%0.79460%0.595SS**  trans-57.7120.9179.4-61.4-173.9152.200109A267 G271A267-E269 PolarHBondContact O-N 2.66Å; E269-G271 PolarHBondContact O-N 2.84Å
270E45.8Very low53Low127 Ų127104 Ų10459%0.59362%0.615SS**THydrogen-bonded Turntrans-65.110.6-175.9-68.6-177.315600113.2I268 R303I268-E270 PolarHBondContact O-N 3.03Å; E270-R303 IonicContact OE1-CZ 2.63Å; E270-R303 IonicContact OE1-NH1 3.51Å; E270-R303 PolarHBondContact OE1-NH1 3.47Å; E270-R303 IonicContact OE1-NH2 2.66Å; E270-R303 PolarHBondContact OE1-NH2 3.42Å; E270-R303 VanDerWaalsContact OE1-NH2 3.16Å
271G40.4Very low51.9Low65 Ų65110 Ų11067%0.6765%0.652SS**THydrogen-bonded Turntrans-81.9-28.2-175.800000116.3E269E269-G271 PolarHBondContact O-N 2.84Å
272D34.1Very low51.1Low145 Ų145114.7 Ų114.778%0.77567%0.665SS**SBendtrans-106.4-8.1-168.1-144.617000114.7
273I42.2Very low50.6Low124 Ų124115.8 Ų115.864%0.63667%0.672SS**G310 helixtrans-85.4-13.6-177.4-63.8175.4000112.4I268 S275I268-I273 HydrophobicContact CG2-CD1 4.27Å; I273-S275 PolarHBondContact O-N 3.21Å; I273-S275 VanDerWaalsContact O-N 3.15Å
274C34.1Very low50.6Low115 Ų115121.8 Ų121.878%0.77770%0.697SS**G310 helixtrans-78.13.5-171.1-142.20000115.2
275S35.4Very low51.5Low100 Ų100115.6 Ų115.670%0.69967%0.669SS**G310 helixtrans-117.9-1.3-165.4-60.80000116.3I273I273-S275 PolarHBondContact O-N 3.21Å; I273-S275 VanDerWaalsContact O-N 3.15Å
276Q35.5Very low52.6Low173 Ų173116.7 Ų116.781%0.80868%0.675SS**  trans-134.87.4-175.6-64.1-16710.200116.4S278Q276-S278 PolarHBondContact O-N 3.34Å
277S38.8Very low54.4Low97 Ų97110.2 Ų110.268%0.67865%0.645SS**THydrogen-bonded Turntrans-8039.9-176730000115.2S279S277-S279 VanDerWaalsContact C-N 3.27Å
278S39.9Very low56.3Low125 Ų125109.8 Ų109.887%0.87464%0.638SS**THydrogen-bonded Turntrans-79.6-14.1160.454.10000112Q276Q276-S278 PolarHBondContact O-N 3.34Å
279S38.5Very low58.2Low105 Ų105105.2 Ų105.273%0.73461%0.614SS**SBendtrans-88.2106.4177-168.50000112.4S277S277-S279 VanDerWaalsContact C-N 3.27Å
280G54.2Low60.3Low54 Ų54103.5 Ų103.556%0.55760%0.604SS**  trans56.173.9153.100000118.9F282G280-F282 PolarHBondContact O-N 3.04Å
281T66.6Low62.3Low130 Ų13099.8 Ų99.880%0.79859%0.588SS**  trans-69.4118.3167.344.50000112.1S283T281-S283 PolarHBondContact O-N 2.6Å
282F72.6Confident64.6Low162 Ų16296.7 Ų96.771%0.71156%0.556SS**  trans-74.6112.6177.9-61.7-71000111.6G280 K284 L286G280-F282 PolarHBondContact O-N 3.04Å; F282-K284 VanDerWaalsContact C-N 3.28Å; F282-K284 PolarHBondContact O-N 3.18Å; F282-L286 HydrophobicContact CD1-CD1 4.03Å; F282-L286 HydrophobicContact CD1-CD2 4.26Å; F282-L286 HydrophobicContact CD1-CG 4.45Å; F282-L286 HydrophobicContact CD2-CD1 4.38Å; F282-L286 HydrophobicContact CE1-CD1 4.01Å; F282-L286 HydrophobicContact CE2-CD1 4.36Å; F282-L286 HydrophobicContact CG-CD1 4.22Å; F282-L286 HydrophobicContact CZ-CD1 4.19Å
283S75.7Confident67.1Low100 Ų10091.3 Ų91.370%0.69953%0.527SS*.SBendtrans-79.7-3.1-179.560.20000115.1T281T281-S283 PolarHBondContact O-N 2.6Å
284K83.6Confident69.3Low148 Ų14890.1 Ų90.164%0.64352%0.521SS*.SBendtrans-146.3156.2-178.7-63.4-177.7-175.3175.70110F282F282-K284 VanDerWaalsContact C-N 3.28Å; F282-K284 PolarHBondContact O-N 3.18Å
285Y88.6Confident71.9Confident67 Ų6785.6 Ų85.626%0.26349%0.489SS..  trans-63.4140.4170-60.4-48.1000112I181 W228 F301 Y304 Q308I181-Y285 HydrophobicContact CD1-CD2 4.05Å; I181-Y285 HydrophobicContact CD1-CE2 4.49Å; W228-Y285 HydrophobicContact CH2-CG 4.35Å; W228-Y285 HydrophobicContact CZ3-CD2 4.27Å; W228-Y285 HydrophobicContact CZ3-CG 4.24Å; Y285-F301 HydrophobicContact CD1-CD2 4.49Å; Y285-F301 AromaticContact CD1-CE2 3.99Å; Y285-F301 HydrophobicContact CD1-CE2 3.99Å; Y285-F301 HydrophobicContact CE1-CE2 4.33Å; Y285-Y304 HydrophobicContact CE1-CD2 4.2Å; Y285-Q308 PolarHBondContact OH-NE2 3.47Å
286L89Confident74.5Confident69 Ų6980.9 Ų80.936%0.36146%0.456SS..  trans-94.8105174.9-59.7173.7000108.3F282 S288 L291 Q295F282-L286 HydrophobicContact CD1-CD1 4.03Å; F282-L286 HydrophobicContact CD1-CD2 4.26Å; F282-L286 HydrophobicContact CD1-CG 4.45Å; F282-L286 HydrophobicContact CD2-CD1 4.38Å; F282-L286 HydrophobicContact CE1-CD1 4.01Å; F282-L286 HydrophobicContact CE2-CD1 4.36Å; F282-L286 HydrophobicContact CG-CD1 4.22Å; F282-L286 HydrophobicContact CZ-CD1 4.19Å; L286-S288 PolarHBondContact O-N 3.02Å; L286-L291 HydrophobicContact CB-CD2 3.64Å; L286-L291 HydrophobicContact CD1-CD2 3.76Å; L286-L291 HydrophobicContact CG-CD2 4.37Å; L286-Q295 PolarHBondContact O-NE2 2.98Å
287T90.4Very high76.9Confident38 Ų3876.5 Ų76.523%0.23344%0.436CS..  trans-84.723.2-173490000114.1I181 L182 Y224 W228I181-T287 HydrophobicContact CG2-CG2 3.56Å; L182-T287 VanDerWaalsContact O-CB 3.31Å; L182-T287 WeakPolarHBondContact O-CB 3.46Å; L182-T287 WeakPolarHBondContact O-CG2 3.24Å; L182-T287 PolarHBondContact O-OG1 2.7Å; Y224-T287 PolarHBondContact OH-O 2.76Å; W228-T287 HydrophobicContact CD2-CG2 4.09Å; W228-T287 HydrophobicContact CE3-CG2 3.92Å; W228-T287 HydrophobicContact CH2-CG2 4.09Å; W228-T287 HydrophobicContact CZ2-CG2 4.21Å; W228-T287 HydrophobicContact CZ3-CG2 3.94Å
288S88Confident79.1Confident60 Ų6074.8 Ų74.842%0.4242%0.419SS..  trans-67.4133.4-179.3-176.70000111.5L286 K290 L291L286-S288 PolarHBondContact O-N 3.02Å; S288-K290 PolarHBondContact O-N 3.17Å; S288-K290 PolarHBondContact OG-N 3.36Å; S288-L291 PolarHBondContact O-N 3Å
289E87.1Confident81.3Confident36 Ų3670.9 Ų70.917%0.16839%0.391CS..G310 helixtrans-57-38.4174.7-67.4166.4-145.100111.5N184 P187 A191 F192 Y224 L291N184-E289 WeakPolarHBondContact CB-OE1 3.43Å; N184-E289 PolarHBondContact ND2-OE1 3.41Å; P187-E289 HydrophobicContact CB-CG 3.92Å; P187-E289 WeakPolarHBondContact CB-OE2 3.31Å; A191-E289 HydrophobicContact CB-CB 4.38Å; A191-E289 WeakPolarHBondContact CB-OE2 3.08Å; F192-E289 HydrophobicContact CE1-CB 4.06Å; F192-E289 HydrophobicContact CZ-CB 3.92Å; F192-E289 HydrophobicContact CZ-CG 4.06Å; Y224-E289 HydrophobicContact CD1-CG 4.44Å; Y224-E289 HydrophobicContact CD2-CG 4.27Å; Y224-E289 HydrophobicContact CE1-CG 3.96Å; Y224-E289 HydrophobicContact CE2-CB 4.24Å; Y224-E289 HydrophobicContact CE2-CG 3.78Å; E289-L291 VanDerWaalsContact C-N 3.26Å; E289-L291 PolarHBondContact O-N 3.28Å
290K85.3Confident83.6Confident134 Ų13468.1 Ų68.158%0.58337%0.372SS*.G310 helixtrans-80.89.9-178.2-56-175176.3-172.60115.3Q195 S288Q195-K290 PolarHBondContact NE2-O 2.57Å; S288-K290 PolarHBondContact O-N 3.17Å; S288-K290 PolarHBondContact OG-N 3.36Å
291L88.7Confident85.3Confident48 Ų4866.1 Ų66.125%0.25135%0.348SS..G310 helixtrans-128.6-10.2-172.9-170.162.7000112.7L286 S288 E289 D293 L294 Q295L286-L291 HydrophobicContact CB-CD2 3.64Å; L286-L291 HydrophobicContact CD1-CD2 3.76Å; L286-L291 HydrophobicContact CG-CD2 4.37Å; S288-L291 PolarHBondContact O-N 3Å; E289-L291 VanDerWaalsContact C-N 3.26Å; E289-L291 PolarHBondContact O-N 3.28Å; L291-D293 VanDerWaalsContact C-N 3.33Å; L291-D293 PolarHBondContact O-N 3.15Å; L291-L294 HydrophobicContact CD1-CB 4.17Å; L291-L294 HydrophobicContact CD1-CD1 3.93Å; L291-L294 PolarHBondContact O-N 3.3Å; L291-Q295 HydrophobicContact CG-CG 4.15Å; L291-Q295 WeakPolarHBondContact O-CB 3.07Å; L291-Q295 VanDerWaalsContact O-CG 3.31Å; L291-Q295 WeakPolarHBondContact O-CG 3.48Å; L291-Q295 PolarHBondContact O-N 2.94Å
292L88.7Confident86.4Confident0 Ų059.9 Ų59.90%031%0.31CS..Hα-helixtrans-67.3-34.8-173.7179.759.5000111.9V219 Y224 F227 W228 Q295 L296V219-L292 HydrophobicContact CG1-CB 4.22Å; V219-L292 HydrophobicContact CG1-CD2 3.81Å; V219-L292 HydrophobicContact CG1-CG 4.12Å; Y224-L292 HydrophobicContact CD2-CB 4.31Å; Y224-L292 HydrophobicContact CD2-CD2 3.79Å; Y224-L292 HydrophobicContact CG-CD2 4.23Å; F227-L292 HydrophobicContact CB-CD2 4.42Å; F227-L292 HydrophobicContact CD1-CD1 3.77Å; F227-L292 HydrophobicContact CD1-CD2 4.42Å; F227-L292 HydrophobicContact CE1-CD1 3.81Å; F227-L292 HydrophobicContact CG-CD1 4.19Å; F227-L292 HydrophobicContact CG-CD2 4.47Å; F227-L292 HydrophobicContact CZ-CD1 4.24Å; W228-L292 HydrophobicContact CZ2-CD1 4.49Å; L292-Q295 PolarHBondContact O-N 2.88Å; L292-L296 HydrophobicContact CD1-CD1 4.41Å; L292-L296 HydrophobicContact CD1-CD2 4.48Å; L292-L296 HydrophobicContact CD1-CG 4.09Å; L292-L296 HydrophobicContact CG-CD1 4.09Å; L292-L296 HydrophobicContact CG-CG 4.24Å; L292-L296 WeakPolarHBondContact O-CB 3.47Å; L292-L296 WeakPolarHBondContact O-CG 3.23Å; L292-L296 PolarHBondContact O-N 3.3Å
293D87Confident87.2Confident32 Ų3254.4 Ų54.417%0.17128%0.284CS..Hα-helixtrans-62.4-49.7174.562.5-39.4000112Q195 V219 L291 Q295 L296 M297Q195-D293 PolarHBondContact NE2-OD1 3.47Å; Q195-D293 PolarHBondContact NE2-OD2 3.34Å; Q195-D293 PolarHBondContact OE1-OD2 3.47Å; V219-D293 HydrophobicContact CB-CB 4.38Å; V219-D293 HydrophobicContact CG2-CB 3.65Å; L291-D293 VanDerWaalsContact C-N 3.33Å; L291-D293 PolarHBondContact O-N 3.15Å; D293-Q295 VanDerWaalsContact C-N 3.31Å; D293-Q295 PolarHBondContact O-N 3.25Å; D293-L296 PolarHBondContact O-N 3.4Å; D293-L296 VanDerWaalsContact O-N 3.14Å; D293-M297 WeakPolarHBondContact O-CG 3.38Å; D293-M297 PolarHBondContact O-N 3.15Å; D293-M297 VanDerWaalsContact O-N 3.08Å
294L87.2Confident88Confident99 Ų9955.7 Ų55.752%0.51828%0.275SS..Hα-helixtrans-60.5-40.4175.1-66.6171.7000111.7L291 M297 D298L291-L294 HydrophobicContact CD1-CB 4.17Å; L291-L294 HydrophobicContact CD1-CD1 3.93Å; L291-L294 PolarHBondContact O-N 3.3Å; L294-M297 PolarHBondContact O-N 3.24Å; L294-D298 PolarHBondContact O-N 3.06Å
295Q90.1Very high88.4Confident21 Ų2148.7 Ų48.710%0.09824%0.244CC..Hα-helixtrans-65.3-39.8173.7-77172.53.800112.9L286 L291 L292 D293 M297 D298 F301L286-Q295 PolarHBondContact O-NE2 2.98Å; L291-Q295 HydrophobicContact CG-CG 4.15Å; L291-Q295 WeakPolarHBondContact O-CB 3.07Å; L291-Q295 VanDerWaalsContact O-CG 3.31Å; L291-Q295 WeakPolarHBondContact O-CG 3.48Å; L291-Q295 PolarHBondContact O-N 2.94Å; L292-Q295 PolarHBondContact O-N 2.88Å; D293-Q295 VanDerWaalsContact C-N 3.31Å; D293-Q295 PolarHBondContact O-N 3.25Å; Q295-M297 PolarHBondContact O-N 3.06Å; Q295-D298 PolarHBondContact O-N 3.15Å; Q295-D298 VanDerWaalsContact O-N 3.16Å; Q295-F301 HydrophobicContact CB-CD1 3.72Å; Q295-F301 HydrophobicContact CB-CD2 4.27Å; Q295-F301 HydrophobicContact CB-CE1 3.66Å; Q295-F301 HydrophobicContact CB-CE2 4.24Å; Q295-F301 HydrophobicContact CB-CG 4Å; Q295-F301 HydrophobicContact CB-CZ 3.92Å; Q295-F301 HydrophobicContact CG-CD2 4.31Å; Q295-F301 HydrophobicContact CG-CE1 4.5Å; Q295-F301 HydrophobicContact CG-CE2 4.23Å; Q295-F301 HydrophobicContact CG-CG 4.48Å; Q295-F301 HydrophobicContact CG-CZ 4.31Å; Q295-F301 WeakPolarHBondContact O-CB 3.47Å; Q295-F301 WeakPolarHBondContact O-CD1 3.36Å
296L88.7Confident88.6Confident1 Ų145.5 Ų45.51%0.00523%0.232CC..Hα-helixtrans-65.6-23.5175.6-72.5173.2000111.5L217 V219 L223 F227 V259 F260 I263 L292 D293 R302L217-L296 HydrophobicContact CD2-CB 4.44Å; L217-L296 HydrophobicContact CD2-CD1 3.69Å; V219-L296 HydrophobicContact CG2-CD1 3.77Å; L223-L296 HydrophobicContact CD2-CD1 4.06Å; F227-L296 HydrophobicContact CD2-CD2 4.48Å; F227-L296 HydrophobicContact CE2-CD2 4.18Å; V259-L296 HydrophobicContact CG1-CD1 4.3Å; F260-L296 HydrophobicContact CD1-CD2 4.29Å; F260-L296 HydrophobicContact CE1-CD2 3.59Å; I263-L296 HydrophobicContact CD1-CB 4.38Å; L292-L296 HydrophobicContact CD1-CD1 4.41Å; L292-L296 HydrophobicContact CD1-CD2 4.48Å; L292-L296 HydrophobicContact CD1-CG 4.09Å; L292-L296 HydrophobicContact CG-CD1 4.09Å; L292-L296 HydrophobicContact CG-CG 4.24Å; L292-L296 WeakPolarHBondContact O-CB 3.47Å; L292-L296 WeakPolarHBondContact O-CG 3.23Å; L292-L296 PolarHBondContact O-N 3.3Å; D293-L296 PolarHBondContact O-N 3.4Å; D293-L296 VanDerWaalsContact O-N 3.14Å; L296-R302 PolarHBondContact O-NE 3.31Å; L296-R302 PolarHBondContact O-NH2 2.99Å
297M86.4Confident88.9Confident80 Ų8044 Ų4439%0.39423%0.226SC..Hα-helixtrans-81.1-21.5172.6-61.7-53.7139.500114.2L217 I263 L265 D293 L294 Q295 P299L217-M297 HydrophobicContact CB-CE 3.65Å; L217-M297 HydrophobicContact CD2-CE 4.08Å; L217-M297 HydrophobicContact CG-CE 4.4Å; I263-M297 HydrophobicContact CD1-CE 3.89Å; I263-M297 HydrophobicContact CG1-CE 4.2Å; I263-M297 HydrophobicContact CG2-CE 4.05Å; I263-M297 HydrophobicContact CG2-SD 3.75Å; L265-M297 VanDerWaalsContact CD2-O 3.25Å; L265-M297 WeakPolarHBondContact CD2-O 3.31Å; D293-M297 WeakPolarHBondContact O-CG 3.38Å; D293-M297 PolarHBondContact O-N 3.15Å; D293-M297 VanDerWaalsContact O-N 3.08Å; L294-M297 PolarHBondContact O-N 3.24Å; Q295-M297 PolarHBondContact O-N 3.06Å; M297-P299 WeakPolarHBondContact O-CD 3.24Å
298D85.8Confident89.1Confident61 Ų6144.3 Ų44.333%0.32622%0.224SC..  trans-73119.2176.5171.326.2000112.2L294 Q295 S300 F301 R302L294-D298 PolarHBondContact O-N 3.06Å; Q295-D298 PolarHBondContact O-N 3.15Å; Q295-D298 VanDerWaalsContact O-N 3.16Å; D298-S300 PolarHBondContact O-N 2.7Å; D298-S300 VanDerWaalsContact OD1-CB 3.31Å; D298-S300 WeakPolarHBondContact OD1-CB 3.42Å; D298-S300 PolarHBondContact OD1-N 3.21Å; D298-S300 PolarHBondContact OD1-OG 3.2Å; D298-S300 WeakPolarHBondContact OD2-CB 3.44Å; D298-F301 HydrophobicContact CB-CB 3.97Å; D298-F301 PolarHBondContact O-N 3.45Å; D298-F301 WeakPolarHBondContact OD2-CB 3.33Å; D298-F301 PolarHBondContact OD2-N 3.01Å; D298-R302 PolarHBondContact O-N 3.05Å
299P85.4Confident89.5Confident44 Ų4441.4 Ų41.429%0.28620%0.204SC..Hα-helixtrans-58.2-33.9173.9-21.432.1000113.5L265 M297 R302 R303L265-P299 HydrophobicContact CD1-CB 4.02Å; L265-P299 HydrophobicContact CD1-CG 4.05Å; L265-P299 HydrophobicContact CD2-CG 4.14Å; M297-P299 WeakPolarHBondContact O-CD 3.24Å; P299-R302 PolarHBondContact O-N 3.07Å; P299-R303 VanDerWaalsContact O-CG 3.25Å; P299-R303 WeakPolarHBondContact O-CG 3.47Å; P299-R303 PolarHBondContact O-N 3.28Å
300S86.3Confident89.9Confident47 Ų4739.7 Ų39.733%0.32920%0.196SC..Hα-helixtrans-69.6-46.8-178-54.90000111.1D298 R302 R303 Y304D298-S300 PolarHBondContact O-N 2.7Å; D298-S300 VanDerWaalsContact OD1-CB 3.31Å; D298-S300 WeakPolarHBondContact OD1-CB 3.42Å; D298-S300 PolarHBondContact OD1-N 3.21Å; D298-S300 PolarHBondContact OD1-OG 3.2Å; D298-S300 WeakPolarHBondContact OD2-CB 3.44Å; S300-R302 PolarHBondContact O-N 3.1Å; S300-R303 WeakPolarHBondContact O-CB 3.34Å; S300-R303 PolarHBondContact O-N 3.23Å; S300-R303 VanDerWaalsContact O-N 3.16Å; S300-Y304 WeakPolarHBondContact O-CD1 3.47Å; S300-Y304 WeakPolarHBondContact O-CD2 3.44Å; S300-Y304 VanDerWaalsContact O-CG 3.3Å; S300-Y304 PolarHBondContact O-N 3.47Å
301F89.5Confident90.4Very high11 Ų1137 Ų375%0.04819%0.187CC..Hα-helixtrans-56.3-45.8172.8-174.8-101.4000112.5F227 W228 Y285 Q295 D298 R303 Y304 I305F227-F301 HydrophobicContact CE1-CE1 4.03Å; F227-F301 AromaticContact CE1-CZ 3.77Å; F227-F301 HydrophobicContact CE1-CZ 3.77Å; F227-F301 HydrophobicContact CE2-CE1 4.21Å; F227-F301 AromaticContact CZ-CE1 3.38Å; F227-F301 HydrophobicContact CZ-CE1 3.38Å; F227-F301 AromaticContact CZ-CZ 3.53Å; F227-F301 HydrophobicContact CZ-CZ 3.53Å; W228-F301 HydrophobicContact CH2-CE2 4.36Å; W228-F301 HydrophobicContact CH2-CZ 4.08Å; W228-F301 HydrophobicContact CZ2-CZ 4.42Å; Y285-F301 HydrophobicContact CD1-CD2 4.49Å; Y285-F301 AromaticContact CD1-CE2 3.99Å; Y285-F301 HydrophobicContact CD1-CE2 3.99Å; Y285-F301 HydrophobicContact CE1-CE2 4.33Å; Q295-F301 HydrophobicContact CB-CD1 3.72Å; Q295-F301 HydrophobicContact CB-CD2 4.27Å; Q295-F301 HydrophobicContact CB-CE1 3.66Å; Q295-F301 HydrophobicContact CB-CE2 4.24Å; Q295-F301 HydrophobicContact CB-CG 4Å; Q295-F301 HydrophobicContact CB-CZ 3.92Å; Q295-F301 HydrophobicContact CG-CD2 4.31Å; Q295-F301 HydrophobicContact CG-CE1 4.5Å; Q295-F301 HydrophobicContact CG-CE2 4.23Å; Q295-F301 HydrophobicContact CG-CG 4.48Å; Q295-F301 HydrophobicContact CG-CZ 4.31Å; Q295-F301 WeakPolarHBondContact O-CB 3.47Å; Q295-F301 WeakPolarHBondContact O-CD1 3.36Å; D298-F301 HydrophobicContact CB-CB 3.97Å; D298-F301 PolarHBondContact O-N 3.45Å; D298-F301 WeakPolarHBondContact OD2-CB 3.33Å; D298-F301 PolarHBondContact OD2-N 3.01Å; F301-R303 PolarHBondContact O-N 3.01Å; F301-Y304 WeakPolarHBondContact O-CB 3.41Å; F301-Y304 PolarHBondContact O-N 3.38Å; F301-I305 HydrophobicContact CE1-CG1 4.35Å; F301-I305 PolarHBondContact O-N 2.86Å
302R89.6Confident90.8Very high0 Ų035 Ų350%018%0.177CC..Hα-helixtrans-60.1-45.4173.7-65.5-163.1-161164.217.1112.5F260 I263 L265 L296 D298 P299 S300 Y304 I305 I306F260-R302 HydrophobicContact CD1-CG 4.1Å; F260-R302 HydrophobicContact CE1-CB 4.46Å; F260-R302 HydrophobicContact CE1-CG 3.77Å; F260-R302 HydrophobicContact CZ-CB 4.39Å; F260-R302 HydrophobicContact CZ-CG 4.16Å; I263-R302 VanDerWaalsContact CB-NH2 3.27Å; I263-R302 PolarHBondContact O-NH1 3.05Å; L265-R302 VanDerWaalsContact CD2-NH2 3.31Å; L296-R302 PolarHBondContact O-NE 3.31Å; L296-R302 PolarHBondContact O-NH2 2.99Å; D298-R302 PolarHBondContact O-N 3.05Å; P299-R302 PolarHBondContact O-N 3.07Å; S300-R302 PolarHBondContact O-N 3.1Å; R302-Y304 PolarHBondContact O-N 3.13Å; R302-I305 PolarHBondContact O-N 3.31Å; R302-I306 HydrophobicContact CB-CD1 4.45Å; R302-I306 WeakPolarHBondContact O-CB 3.49Å; R302-I306 WeakPolarHBondContact O-CG1 3.49Å; R302-I306 PolarHBondContact O-N 2.84Å
303R89.6Confident91.1Very high46 Ų4635 Ų3517%0.17418%0.177CC..Hα-helixtrans-54.9-39176.4-73.7169.8-172.71744.8110.5E270 P299 S300 F301 V307 L348 F361E270-R303 IonicContact OE1-CZ 2.63Å; E270-R303 IonicContact OE1-NH1 3.51Å; E270-R303 PolarHBondContact OE1-NH1 3.47Å; E270-R303 IonicContact OE1-NH2 2.66Å; E270-R303 PolarHBondContact OE1-NH2 3.42Å; E270-R303 VanDerWaalsContact OE1-NH2 3.16Å; P299-R303 VanDerWaalsContact O-CG 3.25Å; P299-R303 WeakPolarHBondContact O-CG 3.47Å; P299-R303 PolarHBondContact O-N 3.28Å; S300-R303 WeakPolarHBondContact O-CB 3.34Å; S300-R303 PolarHBondContact O-N 3.23Å; S300-R303 VanDerWaalsContact O-N 3.16Å; F301-R303 PolarHBondContact O-N 3.01Å; R303-V307 WeakPolarHBondContact O-CB 3.43Å; R303-V307 VanDerWaalsContact O-CG2 3.25Å; R303-V307 WeakPolarHBondContact O-CG2 3.45Å; R303-V307 PolarHBondContact O-N 3.14Å; R303-L348 HydrophobicContact CG-CD1 4.08Å; R303-F361 HydrophobicContact CB-CE1 4.38Å; R303-F361 HydrophobicContact CB-CZ 4.37Å; R303-F361 HydrophobicContact CG-CE1 4.24Å
304Y92.2Very high91.5Very high127 Ų12735 Ų3550%0.49818%0.176SC..Hα-helixtrans-63.2-48.8176.4-53.8-32.8000113.2Y285 S300 F301 R302 V307 Q308Y285-Y304 HydrophobicContact CE1-CD2 4.2Å; S300-Y304 WeakPolarHBondContact O-CD1 3.47Å; S300-Y304 WeakPolarHBondContact O-CD2 3.44Å; S300-Y304 VanDerWaalsContact O-CG 3.3Å; S300-Y304 PolarHBondContact O-N 3.47Å; F301-Y304 WeakPolarHBondContact O-CB 3.41Å; F301-Y304 PolarHBondContact O-N 3.38Å; R302-Y304 PolarHBondContact O-N 3.13Å; Y304-V307 PolarHBondContact O-N 3.21Å; Y304-Q308 WeakPolarHBondContact O-CG 3.41Å; Y304-Q308 PolarHBondContact O-N 3.4Å
305I93.7Very high91.8Very high1 Ų132.3 Ų32.31%0.00516%0.159CC..Hα-helixtrans-66.9-40.5-179.3-56.2-62000111.2F227 F260 F301 R302 Q308 L309F227-I305 HydrophobicContact CE1-CD1 4.45Å; F227-I305 HydrophobicContact CE2-CD1 4.44Å; F227-I305 HydrophobicContact CE2-CG1 4.13Å; F227-I305 HydrophobicContact CE2-CG2 4.4Å; F227-I305 HydrophobicContact CZ-CD1 3.74Å; F227-I305 HydrophobicContact CZ-CG1 3.76Å; F260-I305 HydrophobicContact CE2-CB 4.04Å; F260-I305 HydrophobicContact CE2-CG2 3.88Å; F260-I305 HydrophobicContact CZ-CB 3.98Å; F260-I305 HydrophobicContact CZ-CG1 4.37Å; F260-I305 HydrophobicContact CZ-CG2 4Å; F301-I305 HydrophobicContact CE1-CG1 4.35Å; F301-I305 PolarHBondContact O-N 2.86Å; R302-I305 PolarHBondContact O-N 3.31Å; I305-Q308 PolarHBondContact O-N 2.75Å; I305-L309 PolarHBondContact O-N 3.22Å
306I93.1Very high92Very high0 Ų031.6 Ų31.60%016%0.156CC..Hα-helixtrans-60.1-47.4174.9-77.3165.3000111F260 R302 Q308 L309 L310 V344 L347 L348F260-I306 HydrophobicContact CD2-CD1 4.27Å; F260-I306 HydrophobicContact CD2-CG1 4.1Å; F260-I306 HydrophobicContact CE2-CG1 4.09Å; R302-I306 HydrophobicContact CB-CD1 4.45Å; R302-I306 WeakPolarHBondContact O-CB 3.49Å; R302-I306 WeakPolarHBondContact O-CG1 3.49Å; R302-I306 PolarHBondContact O-N 2.84Å; I306-Q308 VanDerWaalsContact C-N 3.33Å; I306-Q308 PolarHBondContact O-N 3.26Å; I306-L309 WeakPolarHBondContact O-CB 3.45Å; I306-L309 PolarHBondContact O-N 3.31Å; I306-L310 HydrophobicContact CG2-CD1 4.4Å; I306-L310 WeakPolarHBondContact O-CG 3.31Å; I306-L310 PolarHBondContact O-N 3.38Å; I306-V344 HydrophobicContact CB-CG1 4.33Å; I306-V344 HydrophobicContact CG2-CG1 3.56Å; I306-L347 HydrophobicContact CD1-CB 4.45Å; I306-L348 HydrophobicContact CB-CD1 4.47Å; I306-L348 HydrophobicContact CD1-CD1 4.43Å; I306-L348 HydrophobicContact CG2-CB 4.15Å; I306-L348 HydrophobicContact CG2-CD1 3.7Å; I306-L348 HydrophobicContact CG2-CD2 4.06Å; I306-L348 HydrophobicContact CG2-CG 4.18Å
307V94.1Very high92.1Very high38 Ų3833.7 Ų33.723%0.2317%0.169CC..Hα-helixtrans-66.1-35.7178170.80000111.5R303 Y304 L309 L310 I311 F361 V365R303-V307 WeakPolarHBondContact O-CB 3.43Å; R303-V307 VanDerWaalsContact O-CG2 3.25Å; R303-V307 WeakPolarHBondContact O-CG2 3.45Å; R303-V307 PolarHBondContact O-N 3.14Å; Y304-V307 PolarHBondContact O-N 3.21Å; V307-L309 PolarHBondContact O-N 3.01Å; V307-L310 PolarHBondContact O-N 2.82Å; V307-I311 HydrophobicContact CG1-CD1 3.81Å; V307-I311 HydrophobicContact CG1-CG1 4.39Å; V307-I311 VanDerWaalsContact O-CG1 3.31Å; V307-I311 WeakPolarHBondContact O-CG1 3.44Å; V307-I311 PolarHBondContact O-N 3.4Å; V307-F361 HydrophobicContact CG2-CE1 4.22Å; V307-F361 HydrophobicContact CG2-CZ 4.3Å; V307-V365 HydrophobicContact CG2-CG1 4.43Å; V307-V365 HydrophobicContact CG2-CG2 4.13Å
308Q95.2Very high92.3Very high44 Ų4431.6 Ų31.621%0.20616%0.161CC..Hα-helixtrans-61.5-40.8172.2-76.9-179.9-18.400112.9F234 Y285 Y304 I305 I306 L312F234-Q308 HydrophobicContact CD1-CB 4.06Å; F234-Q308 HydrophobicContact CD2-CB 4.09Å; F234-Q308 HydrophobicContact CE1-CB 3.99Å; F234-Q308 HydrophobicContact CE2-CB 4.02Å; F234-Q308 HydrophobicContact CG-CB 4.14Å; F234-Q308 HydrophobicContact CZ-CB 3.99Å; Y285-Q308 PolarHBondContact OH-NE2 3.47Å; Y304-Q308 WeakPolarHBondContact O-CG 3.41Å; Y304-Q308 PolarHBondContact O-N 3.4Å; I305-Q308 PolarHBondContact O-N 2.75Å; I306-Q308 VanDerWaalsContact C-N 3.33Å; I306-Q308 PolarHBondContact O-N 3.26Å; Q308-L312 WeakPolarHBondContact O-CB 3.25Å; Q308-L312 PolarHBondContact O-N 2.99Å
309L96.5Very high92.4Very high0 Ų034.1 Ų34.10%018%0.179CC..Hα-helixtrans-61.9-45.3173.3-73.7166.8000111.7F234 T253 L257 I305 I306 V307 L312 F313 V344F234-L309 HydrophobicContact CE1-CD2 3.8Å; F234-L309 HydrophobicContact CE1-CG 4.08Å; F234-L309 HydrophobicContact CZ-CD2 3.72Å; F234-L309 HydrophobicContact CZ-CG 3.83Å; T253-L309 HydrophobicContact CG2-CD2 3.87Å; L257-L309 HydrophobicContact CD2-CD1 3.87Å; I305-L309 PolarHBondContact O-N 3.22Å; I306-L309 WeakPolarHBondContact O-CB 3.45Å; I306-L309 PolarHBondContact O-N 3.31Å; V307-L309 PolarHBondContact O-N 3.01Å; L309-L312 PolarHBondContact O-N 3.35Å; L309-F313 HydrophobicContact CB-CE2 4.28Å; L309-F313 HydrophobicContact CB-CZ 4.42Å; L309-F313 HydrophobicContact CD2-CE1 4.48Å; L309-F313 HydrophobicContact CD2-CZ 4.23Å; L309-F313 WeakPolarHBondContact O-CB 3.45Å; L309-F313 WeakPolarHBondContact O-CD2 3.47Å; L309-F313 WeakPolarHBondContact O-CG 3.31Å; L309-F313 PolarHBondContact O-N 2.96Å; L309-V344 HydrophobicContact CD1-CG2 4.28Å
310L95.8Very high92.5Very high0 Ų033 Ų330%017%0.17CC..Hα-helixtrans-61.5-45.8178.3-67.7173.1000112.4I306 V307 L312 F313 Q314 V344 L345 L348 V365 L369I306-L310 HydrophobicContact CG2-CD1 4.4Å; I306-L310 WeakPolarHBondContact O-CG 3.31Å; I306-L310 PolarHBondContact O-N 3.38Å; V307-L310 PolarHBondContact O-N 2.82Å; L310-L312 VanDerWaalsContact C-N 3.33Å; L310-L312 PolarHBondContact O-N 3.13Å; L310-F313 PolarHBondContact O-N 2.93Å; L310-Q314 PolarHBondContact O-N 2.85Å; L310-V344 HydrophobicContact CD1-CG1 4.19Å; L310-V344 HydrophobicContact CD2-CB 4.17Å; L310-V344 HydrophobicContact CD2-CG1 3.64Å; L310-V344 HydrophobicContact CG-CG1 3.66Å; L310-L345 HydrophobicContact CD1-CD2 4.14Å; L310-L345 HydrophobicContact CD2-CD2 4.23Å; L310-L345 HydrophobicContact CD2-CG 4.35Å; L310-L348 HydrophobicContact CD1-CD2 4.37Å; L310-V365 HydrophobicContact CD1-CG1 3.74Å; L310-L369 HydrophobicContact CB-CD1 4.08Å; L310-L369 HydrophobicContact CD1-CD1 4.38Å
311I95.7Very high92.4Very high77 Ų7736.6 Ų36.640%0.39518%0.18SC..Hα-helixtrans-60.7-42.9175.9-66.8165.2000110.7V307 Q314 Y315 L369V307-I311 HydrophobicContact CG1-CD1 3.81Å; V307-I311 HydrophobicContact CG1-CG1 4.39Å; V307-I311 VanDerWaalsContact O-CG1 3.31Å; V307-I311 WeakPolarHBondContact O-CG1 3.44Å; V307-I311 PolarHBondContact O-N 3.4Å; I311-Q314 PolarHBondContact O-N 2.96Å; I311-Y315 PolarHBondContact O-N 3.18Å; I311-L369 HydrophobicContact CG1-CD2 4.31Å
312L95.7Very high92.1Very high6 Ų639.4 Ų39.43%0.03119%0.193CC..Hα-helixtrans-64-46.5176.5178.360.5000111.7F233 F234 P237 F249 Q308 L309 L310 Q314 Y315 L316F233-L312 HydrophobicContact CB-CD2 4.47Å; F234-L312 HydrophobicContact CD1-CB 4.11Å; F234-L312 HydrophobicContact CD1-CD2 3.74Å; F234-L312 HydrophobicContact CE1-CB 4.28Å; F234-L312 HydrophobicContact CE1-CD2 3.82Å; P237-L312 HydrophobicContact CB-CD1 3.61Å; P237-L312 HydrophobicContact CG-CD1 3.84Å; F249-L312 HydrophobicContact CD2-CD2 4.47Å; F249-L312 HydrophobicContact CE2-CD2 3.44Å; F249-L312 VanDerWaalsContact CE2-CD2 3.44Å; F249-L312 HydrophobicContact CZ-CD2 3.5Å; F249-L312 VanDerWaalsContact CZ-CD2 3.5Å; F249-L312 HydrophobicContact CZ-CG 4.43Å; Q308-L312 WeakPolarHBondContact O-CB 3.25Å; Q308-L312 PolarHBondContact O-N 2.99Å; L309-L312 PolarHBondContact O-N 3.35Å; L310-L312 VanDerWaalsContact C-N 3.33Å; L310-L312 PolarHBondContact O-N 3.13Å; L312-Q314 VanDerWaalsContact C-N 3.33Å; L312-Q314 PolarHBondContact O-N 3.11Å; L312-Y315 PolarHBondContact O-N 3.07Å; L312-L316 HydrophobicContact CD1-CD1 4.2Å; L312-L316 HydrophobicContact CD1-CG 4.12Å; L312-L316 HydrophobicContact CG-CD1 4.09Å; L312-L316 HydrophobicContact CG-CG 4.43Å; L312-L316 VanDerWaalsContact O-CG 3.28Å; L312-L316 WeakPolarHBondContact O-CG 3.23Å; L312-L316 PolarHBondContact O-N 3.01Å
313F96Very high92Very high1 Ų141.2 Ų41.20%0.00420%0.201CC..Hα-helixtrans-61.1-40.7177.4-66.6-19.2000111.9F249 T253 L309 L310 L316 T317 W336 V337 R340 H341 V344F249-F313 HydrophobicContact CE1-CE1 4.33Å; F249-F313 AromaticContact CZ-CE1 3.95Å; F249-F313 HydrophobicContact CZ-CE1 3.95Å; T253-F313 HydrophobicContact CG2-CZ 4.36Å; L309-F313 HydrophobicContact CB-CE2 4.28Å; L309-F313 HydrophobicContact CB-CZ 4.42Å; L309-F313 HydrophobicContact CD2-CE1 4.48Å; L309-F313 HydrophobicContact CD2-CZ 4.23Å; L309-F313 WeakPolarHBondContact O-CB 3.45Å; L309-F313 WeakPolarHBondContact O-CD2 3.47Å; L309-F313 WeakPolarHBondContact O-CG 3.31Å; L309-F313 PolarHBondContact O-N 2.96Å; L310-F313 PolarHBondContact O-N 2.93Å; F313-L316 PolarHBondContact O-N 2.94Å; F313-T317 WeakPolarHBondContact O-CB 3.06Å; F313-T317 WeakPolarHBondContact O-CG2 3.4Å; F313-T317 PolarHBondContact O-N 3.01Å; F313-T317 PolarHBondContact O-OG1 3.41Å; F313-W336 HydrophobicContact CE1-CH2 4.47Å; F313-W336 AromaticContact CE1-CZ3 3.97Å; F313-W336 HydrophobicContact CE1-CZ3 3.97Å; F313-W336 HydrophobicContact CZ-CZ3 4.35Å; F313-V337 HydrophobicContact CB-CG1 3.69Å; F313-V337 HydrophobicContact CD1-CG1 3.87Å; F313-V337 HydrophobicContact CD1-CG2 4.49Å; F313-V337 HydrophobicContact CG-CG1 3.83Å; F313-R340 HydrophobicContact CE2-CB 3.97Å; F313-R340 HydrophobicContact CZ-CB 3.82Å; F313-H341 HydrophobicContact CD2-CB 4.02Å; F313-V344 HydrophobicContact CE2-CG2 4.05Å
314Q94.5Very high91.7Very high31 Ų3142.7 Ų42.715%0.14522%0.215CC..Hα-helixtrans-65.1-44.7173.9-172.5173.91200111.6L310 I311 L312 L316 T317 T318 L369L310-Q314 PolarHBondContact O-N 2.85Å; I311-Q314 PolarHBondContact O-N 2.96Å; L312-Q314 VanDerWaalsContact C-N 3.33Å; L312-Q314 PolarHBondContact O-N 3.11Å; Q314-L316 VanDerWaalsContact C-N 3.33Å; Q314-L316 PolarHBondContact O-N 3.15Å; Q314-T317 PolarHBondContact O-N 3.29Å; Q314-T317 PolarHBondContact O-OG1 2.93Å; Q314-T318 WeakPolarHBondContact O-CB 3.43Å; Q314-T318 PolarHBondContact O-N 2.89Å; Q314-T318 PolarHBondContact O-OG1 2.99Å; Q314-L369 PolarHBondContact NE2-O 2.65Å; Q314-L369 VanDerWaalsContact OE1-CB 3.32Å; Q314-L369 PolarHBondContact OE1-O 3.03Å
315Y94Very high91.2Very high42 Ų4244.3 Ų44.317%0.16523%0.23CC..Hα-helixtrans-59-43.9175.7168.6-93.9000112.1F175 P237 Y241 I311 L312 V320 K323F175-Y315 HydrophobicContact CZ-CD2 4.36Å; F175-Y315 HydrophobicContact CZ-CE1 4.21Å; F175-Y315 AromaticContact CZ-CE2 3.75Å; F175-Y315 HydrophobicContact CZ-CE2 3.75Å; F175-Y315 AromaticContact CZ-CZ 3.66Å; P237-Y315 HydrophobicContact CB-CD1 3.41Å; P237-Y315 VanDerWaalsContact CB-CD1 3.41Å; P237-Y315 HydrophobicContact CB-CE1 3.4Å; P237-Y315 HydrophobicContact CB-CG 4.33Å; P237-Y315 HydrophobicContact CG-CD1 4.23Å; P237-Y315 HydrophobicContact CG-CE1 4.44Å; Y241-Y315 HydrophobicContact CE2-CE1 4.49Å; I311-Y315 PolarHBondContact O-N 3.18Å; L312-Y315 PolarHBondContact O-N 3.07Å; Y315-V320 HydrophobicContact CD2-CG2 4.35Å; Y315-V320 HydrophobicContact CE2-CG2 4.18Å; Y315-K323 PolarHBondContact O-NZ 3Å
316L93.6Very high90.7Very high7 Ų750.8 Ų50.84%0.03727%0.265CS..Hα-helixtrans-65-43.7-178.8-70.1174.8000111.7C240 Y241 W246 L312 F313 Q314 K323 L329C240-L316 HydrophobicContact CB-CD1 4.3Å; C240-L316 HydrophobicContact CB-CD2 3.77Å; Y241-L316 HydrophobicContact CE2-CD2 4.13Å; W246-L316 HydrophobicContact CZ3-CD1 4.18Å; L312-L316 HydrophobicContact CD1-CD1 4.2Å; L312-L316 HydrophobicContact CD1-CG 4.12Å; L312-L316 HydrophobicContact CG-CD1 4.09Å; L312-L316 HydrophobicContact CG-CG 4.43Å; L312-L316 VanDerWaalsContact O-CG 3.28Å; L312-L316 WeakPolarHBondContact O-CG 3.23Å; L312-L316 PolarHBondContact O-N 3.01Å; F313-L316 PolarHBondContact O-N 2.94Å; Q314-L316 VanDerWaalsContact C-N 3.33Å; Q314-L316 PolarHBondContact O-N 3.15Å; L316-K323 PolarHBondContact O-NZ 2.86Å; L316-K323 VanDerWaalsContact O-NZ 3.17Å; L316-L329 HydrophobicContact CB-CD1 4.2Å
317T92Very high90.4Very high44 Ų4452.7 Ų52.727%0.2727%0.274SS..Hα-helixtrans-79.5-23.2-17853.70000114.7F313 Q314 V337F313-T317 WeakPolarHBondContact O-CB 3.06Å; F313-T317 WeakPolarHBondContact O-CG2 3.4Å; F313-T317 PolarHBondContact O-N 3.01Å; F313-T317 PolarHBondContact O-OG1 3.41Å; Q314-T317 PolarHBondContact O-N 3.29Å; Q314-T317 PolarHBondContact O-OG1 2.93Å; T317-V337 HydrophobicContact CG2-CB 4.47Å; T317-V337 HydrophobicContact CG2-CG1 3.74Å
318T90.5Very high90.2Very high37 Ų3756 Ų5623%0.22729%0.294CS..SBendtrans-88.6148.1-175.9-48.10000112.8Q314 K323 N376Q314-T318 WeakPolarHBondContact O-CB 3.43Å; Q314-T318 PolarHBondContact O-N 2.89Å; Q314-T318 PolarHBondContact O-OG1 2.99Å; T318-K323 PolarHBondContact O-NZ 3.1Å; T318-N376 WeakPolarHBondContact CG2-ND2 3.3Å
319T87Confident90Very high114 Ų11455.1 Ų55.170%0.69929%0.29SS*.  trans-72.3129.5172.653.10000111.3N376 N380T319-N376 PolarHBondContact O-ND2 3.21Å; T319-N380 PolarHBondContact O-ND2 3.41Å
320V87.7Confident89.7Confident19 Ų1957.6 Ų57.612%0.11531%0.308CS..  trans-135.3124.4178.2-1800000108.2Y315 F322 K323Y315-V320 HydrophobicContact CD2-CG2 4.35Å; Y315-V320 HydrophobicContact CE2-CG2 4.18Å; V320-F322 PolarHBondContact O-N 3.29Å; V320-K323 HydrophobicContact CB-CD 4.3Å; V320-K323 HydrophobicContact CB-CG 4.17Å; V320-K323 WeakPolarHBondContact O-CB 3.47Å; V320-K323 PolarHBondContact O-N 3.16Å
321K84.8Confident89.6Confident123 Ų12364.1 Ų64.154%0.53534%0.338SS..THydrogen-bonded Turntrans-56.6-21.4-173.2-176.1174.7-168.1166.90115.6N380K321-N380 HydrophobicContact CB-CB 4.5Å; K321-N380 VanDerWaalsContact CB-OD1 3.29Å; K321-N380 WeakPolarHBondContact CB-OD1 3.4Å; K321-N380 VanDerWaalsContact CD-O 3.3Å; K321-N380 WeakPolarHBondContact CD-O 3.28Å; K321-N380 PolarHBondContact N-OD1 2.96Å; K321-N380 PolarHBondContact NZ-O 3.38Å
322F83.6Confident89.5Confident70 Ų7066.7 Ų66.731%0.30735%0.353SS..THydrogen-bonded Turntrans-101.83.8-177-55.3-81.5000113.6F171 M172 V320F171-F322 HydrophobicContact CD1-CE1 4.38Å; F171-F322 AromaticContact CD1-CZ 3.91Å; F171-F322 HydrophobicContact CD1-CZ 3.91Å; F171-F322 HydrophobicContact CE1-CE1 4.26Å; F171-F322 AromaticContact CE1-CZ 3.77Å; F171-F322 HydrophobicContact CE1-CZ 3.77Å; F171-F322 HydrophobicContact CZ-CZ 4.29Å; F171-F322 WeakPolarHBondContact O-CE2 3.29Å; F171-F322 WeakPolarHBondContact O-CZ 3.4Å; M172-F322 WeakPolarHBondContact O-CB 3.47Å; M172-F322 VanDerWaalsContact O-CG 3.3Å; M172-F322 WeakPolarHBondContact O-CG 3.38Å; V320-F322 PolarHBondContact O-N 3.29Å
323K86.1Confident89.4Confident39 Ų3968 Ų6817%0.1736%0.359CS..SBendtrans-66.6142.5166.2-76.9178-177.9-177.60109.5Y241 Y315 L316 T318 V320 Q327Y241-K323 VanDerWaalsContact OH-CE 3.31Å; Y241-K323 WeakPolarHBondContact OH-CE 3.28Å; Y241-K323 PolarHBondContact OH-NZ 2.97Å; Y241-K323 VanDerWaalsContact OH-NZ 3.14Å; Y315-K323 PolarHBondContact O-NZ 3Å; L316-K323 PolarHBondContact O-NZ 2.86Å; L316-K323 VanDerWaalsContact O-NZ 3.17Å; T318-K323 PolarHBondContact O-NZ 3.1Å; V320-K323 HydrophobicContact CB-CD 4.3Å; V320-K323 HydrophobicContact CB-CG 4.17Å; V320-K323 WeakPolarHBondContact O-CB 3.47Å; V320-K323 PolarHBondContact O-N 3.16Å; K323-Q327 HydrophobicContact CB-CB 4.05Å; K323-Q327 HydrophobicContact CG-CB 4.31Å
324T84.4Confident89.3Confident77 Ų7773.1 Ų73.147%0.47238%0.378SS..  trans-72.8164.1171.1630000110.6D326 Q327T324-D326 PolarHBondContact O-N 3.34Å; T324-Q327 PolarHBondContact O-N 3.32Å; T324-Q327 WeakPolarHBondContact OG1-CG 3.37Å
325I81.7Confident89.4Confident160 Ų16074 Ų7482%0.82139%0.388SS*.THydrogen-bonded Turntrans-59.5-30.3-179.9-61.7169.8000111.2V328I325-V328 WeakPolarHBondContact O-CG2 3.38Å
326D83.9Confident89.5Confident137 Ų13773.5 Ų73.573%0.73339%0.386SS*.THydrogen-bonded Turntrans-80.6-11.3179.6-41.9-68.7000113.9T324 V328T324-D326 PolarHBondContact O-N 3.34Å; D326-V328 PolarHBondContact O-N 3.28Å
327Q87Confident89.6Confident41 Ų4173.2 Ų73.219%0.19238%0.384CS..  trans-85.160-178.4-75.6174.7-1400111.7Y241 K323 T324Y241-Q327 HydrophobicContact CD1-CB 4.08Å; Y241-Q327 HydrophobicContact CD1-CG 4.4Å; Y241-Q327 HydrophobicContact CD2-CB 4.04Å; Y241-Q327 HydrophobicContact CD2-CG 3.68Å; Y241-Q327 HydrophobicContact CE1-CB 3.99Å; Y241-Q327 VanDerWaalsContact CE1-O 3.32Å; Y241-Q327 WeakPolarHBondContact CE1-O 3.28Å; Y241-Q327 HydrophobicContact CE2-CB 3.96Å; Y241-Q327 HydrophobicContact CE2-CG 3.98Å; Y241-Q327 HydrophobicContact CG-CB 4.11Å; Y241-Q327 HydrophobicContact CG-CG 3.91Å; K323-Q327 HydrophobicContact CB-CB 4.05Å; K323-Q327 HydrophobicContact CG-CB 4.31Å; T324-Q327 PolarHBondContact O-N 3.32Å; T324-Q327 WeakPolarHBondContact OG1-CG 3.37Å
328V88.9Confident89.8Confident106 Ų10674.3 Ų74.364%0.64239%0.389SS*.  trans-121.2133.7178-178.10000108.7I325 D326I325-V328 WeakPolarHBondContact O-CG2 3.38Å; D326-V328 PolarHBondContact O-N 3.28Å
329L90.4Very high90Very high26 Ų2677 Ų7714%0.13640%0.399CS..  trans-77.2146.6173-64.9-175.8000110.8Y241 W246 L316 Q333 V337Y241-L329 HydrophobicContact CD1-CD2 4.19Å; Y241-L329 HydrophobicContact CE1-CD2 3.93Å; Y241-L329 HydrophobicContact CE1-CG 4.3Å; W246-L329 HydrophobicContact CZ3-CD2 4.49Å; L316-L329 HydrophobicContact CB-CD1 4.2Å; L329-Q333 HydrophobicContact CB-CB 4.07Å; L329-Q333 HydrophobicContact CD2-CB 4.23Å; L329-V337 HydrophobicContact CD1-CG2 4.39Å
330S91.4Very high90.4Very high53 Ų5374.4 Ų74.437%0.37138%0.376SS..  trans-69.2163.2163.678.30000111.3D332 Q333 R334S330-D332 VanDerWaalsContact C-N 3.29Å; S330-D332 PolarHBondContact O-N 3.37Å; S330-Q333 WeakPolarHBondContact O-CB 3.11Å; S330-Q333 PolarHBondContact O-N 3.37Å; S330-Q333 WeakPolarHBondContact OG-CG 3.38Å; S330-Q333 PolarHBondContact OG-N 2.92Å; S330-R334 WeakPolarHBondContact O-CB 3.47Å; S330-R334 PolarHBondContact O-N 3.25Å
331E92.7Very high90.7Very high136 Ų13676.1 Ų76.164%0.63638%0.382SS*.Hα-helixtrans-61.6-38.3178.3-164.158.2-146.500111.8Q333 R334 S335E331-Q333 PolarHBondContact O-N 2.83Å; E331-R334 PolarHBondContact O-N 3.49Å; E331-S335 WeakPolarHBondContact O-CB 3.35Å; E331-S335 PolarHBondContact O-N 3.5Å
332D93.5Very high91Very high131 Ų13176 Ų7670%0.70138%0.384SS*.Hα-helixtrans-61.2-43.5174.6-52.5-46.1000112S330 R334 S335 W336S330-D332 VanDerWaalsContact C-N 3.29Å; S330-D332 PolarHBondContact O-N 3.37Å; D332-R334 VanDerWaalsContact C-N 3.35Å; D332-S335 PolarHBondContact O-N 3.26Å; D332-W336 WeakPolarHBondContact O-CB 3.49Å; D332-W336 PolarHBondContact O-N 2.98Å
333Q94.5Very high91.4Very high33 Ų3375 Ų7515%0.15438%0.383CS..Hα-helixtrans-64.7-41.2176.5-68.8179.6-4800111.1W246 L329 S330 E331 W336 V337W246-Q333 HydrophobicContact CD2-CG 4.37Å; W246-Q333 VanDerWaalsContact CG-NE2 3.31Å; W246-Q333 HydrophobicContact CH2-CB 4.33Å; W246-Q333 HydrophobicContact CZ2-CB 3.78Å; W246-Q333 HydrophobicContact CZ2-CG 3.8Å; L329-Q333 HydrophobicContact CB-CB 4.07Å; L329-Q333 HydrophobicContact CD2-CB 4.23Å; S330-Q333 WeakPolarHBondContact O-CB 3.11Å; S330-Q333 PolarHBondContact O-N 3.37Å; S330-Q333 WeakPolarHBondContact OG-CG 3.38Å; S330-Q333 PolarHBondContact OG-N 2.92Å; E331-Q333 PolarHBondContact O-N 2.83Å; Q333-W336 PolarHBondContact O-N 3.47Å; Q333-V337 WeakPolarHBondContact O-CG2 3.46Å; Q333-V337 PolarHBondContact O-N 2.58Å
334R94.1Very high91.7Very high109 Ų10973.1 Ų73.141%0.41138%0.375SS..Hα-helixtrans-65.2-42.1177.8-166171-166.2-90.2-8.4111.7S330 E331 D332 V337 N338S330-R334 WeakPolarHBondContact O-CB 3.47Å; S330-R334 PolarHBondContact O-N 3.25Å; E331-R334 PolarHBondContact O-N 3.49Å; D332-R334 VanDerWaalsContact C-N 3.35Å; R334-V337 PolarHBondContact O-N 3.32Å; R334-N338 VanDerWaalsContact O-CG 3.23Å; R334-N338 PolarHBondContact O-N 2.87Å; R334-N338 PolarHBondContact O-ND2 2.77Å
335S95.4Very high91.9Very high51 Ų5170.8 Ų70.836%0.35736%0.36SS..Hα-helixtrans-61.7-46.8173.7-172.90000111.6E331 D332 V337 N338 Q339E331-S335 WeakPolarHBondContact O-CB 3.35Å; E331-S335 PolarHBondContact O-N 3.5Å; D332-S335 PolarHBondContact O-N 3.26Å; S335-V337 PolarHBondContact O-N 2.84Å; S335-N338 PolarHBondContact O-N 2.61Å; S335-Q339 VanDerWaalsContact O-CG 3.31Å; S335-Q339 WeakPolarHBondContact O-CG 3.27Å; S335-Q339 PolarHBondContact O-N 3.35Å; S335-Q339 PolarHBondContact OG-NE2 2.91Å
336W96.9Very high92.2Very high31 Ų3171 Ų7112%0.11735%0.35CS..Hα-helixtrans-58.2-45.4175.3-177.597.2000112W246 F249 T250 T253 D254 F313 D332 Q333 N338 Q339 R340W246-W336 AromaticContact CH2-CE3 3.98Å; W246-W336 HydrophobicContact CH2-CE3 3.98Å; W246-W336 HydrophobicContact CH2-CZ3 4.21Å; W246-W336 HydrophobicContact CZ2-CD2 4.39Å; W246-W336 AromaticContact CZ2-CE3 3.88Å; W246-W336 HydrophobicContact CZ2-CE3 3.88Å; W246-W336 HydrophobicContact CZ2-CZ3 4.41Å; F249-W336 HydrophobicContact CD1-CH2 4.45Å; F249-W336 HydrophobicContact CD1-CZ3 4.42Å; F249-W336 HydrophobicContact CE1-CH2 4.02Å; F249-W336 AromaticContact CE1-CZ3 3.79Å; F249-W336 HydrophobicContact CE1-CZ3 3.79Å; T250-W336 HydrophobicContact CG2-CD2 3.87Å; T250-W336 HydrophobicContact CG2-CE3 4.07Å; T250-W336 HydrophobicContact CG2-CH2 3.84Å; T250-W336 HydrophobicContact CG2-CZ2 3.6Å; T250-W336 HydrophobicContact CG2-CZ3 4.07Å; T253-W336 HydrophobicContact CG2-CH2 3.91Å; T253-W336 HydrophobicContact CG2-CZ2 4.45Å; D254-W336 WeakPolarHBondContact OD1-CZ2 3.43Å; F313-W336 HydrophobicContact CE1-CH2 4.47Å; F313-W336 AromaticContact CE1-CZ3 3.97Å; F313-W336 HydrophobicContact CE1-CZ3 3.97Å; F313-W336 HydrophobicContact CZ-CZ3 4.35Å; D332-W336 WeakPolarHBondContact O-CB 3.49Å; D332-W336 PolarHBondContact O-N 2.98Å; Q333-W336 PolarHBondContact O-N 3.47Å; W336-N338 PolarHBondContact O-N 3.27Å; W336-Q339 PolarHBondContact O-N 3.2Å; W336-R340 HydrophobicContact CD2-CG 4.38Å; W336-R340 HydrophobicContact CH2-CB 4.47Å; W336-R340 HydrophobicContact CH2-CG 4.02Å; W336-R340 HydrophobicContact CZ2-CG 3.78Å; W336-R340 HydrophobicContact CZ3-CB 4.48Å; W336-R340 HydrophobicContact CZ3-CG 4.42Å; W336-R340 VanDerWaalsContact NE1-NE 3.17Å; W336-R340 WeakPolarHBondContact O-CD 3.49Å; W336-R340 PolarHBondContact O-N 2.86Å
337V96.4Very high92.3Very high1 Ų165.2 Ų65.21%0.00632%0.319CS..Hα-helixtrans-61-45.3177.6171.80000111.3W246 F313 T317 L329 Q333 R334 S335 R340 H341W246-V337 HydrophobicContact CH2-CG2 3.79Å; F313-V337 HydrophobicContact CB-CG1 3.69Å; F313-V337 HydrophobicContact CD1-CG1 3.87Å; F313-V337 HydrophobicContact CD1-CG2 4.49Å; F313-V337 HydrophobicContact CG-CG1 3.83Å; T317-V337 HydrophobicContact CG2-CB 4.47Å; T317-V337 HydrophobicContact CG2-CG1 3.74Å; L329-V337 HydrophobicContact CD1-CG2 4.39Å; Q333-V337 WeakPolarHBondContact O-CG2 3.46Å; Q333-V337 PolarHBondContact O-N 2.58Å; R334-V337 PolarHBondContact O-N 3.32Å; S335-V337 PolarHBondContact O-N 2.84Å; V337-R340 PolarHBondContact O-N 3.1Å; V337-H341 VanDerWaalsContact O-CB 3.27Å; V337-H341 WeakPolarHBondContact O-CB 3.47Å; V337-H341 PolarHBondContact O-N 3.28Å
338N94.6Very high92.2Very high67 Ų6763.5 Ų63.536%0.35831%0.311SS..Hα-helixtrans-62.8-44.7178.8-66.1-20000111.7R334 S335 W336 R340 H341 E342R334-N338 VanDerWaalsContact O-CG 3.23Å; R334-N338 PolarHBondContact O-N 2.87Å; R334-N338 PolarHBondContact O-ND2 2.77Å; S335-N338 PolarHBondContact O-N 2.61Å; W336-N338 PolarHBondContact O-N 3.27Å; N338-R340 PolarHBondContact O-N 3.04Å; N338-H341 WeakPolarHBondContact O-CB 3.28Å; N338-H341 PolarHBondContact O-N 2.87Å; N338-E342 PolarHBondContact O-N 2.93Å
339Q95.6Very high91.8Very high94 Ų9461.5 Ų61.544%0.43930%0.302SS..Hα-helixtrans-60.5-45.4176.5-69.5170.31600112.1S335 W336 H341 E342 V343S335-Q339 VanDerWaalsContact O-CG 3.31Å; S335-Q339 WeakPolarHBondContact O-CG 3.27Å; S335-Q339 PolarHBondContact O-N 3.35Å; S335-Q339 PolarHBondContact OG-NE2 2.91Å; W336-Q339 PolarHBondContact O-N 3.2Å; Q339-H341 VanDerWaalsContact C-N 3.35Å; Q339-E342 PolarHBondContact O-N 2.86Å; Q339-V343 PolarHBondContact O-N 3.24Å
340R95Very high90.9Very high58 Ų5864.1 Ų64.122%0.21932%0.322CS..Hα-helixtrans-70.7-31.6179.1-88.361.4176.6174.8-5.6112D254 L257 F313 W336 V337 N338 E342 V343 V344D254-R340 VanDerWaalsContact CG-NH2 3.3Å; D254-R340 IonicContact OD1-CZ 3.69Å; D254-R340 IonicContact OD1-NE 3.76Å; D254-R340 PolarHBondContact OD1-NE 3.46Å; D254-R340 IonicContact OD1-NH2 2.79Å; D254-R340 PolarHBondContact OD1-NH2 2.75Å; D254-R340 IonicContact OD2-CZ 3.67Å; D254-R340 IonicContact OD2-NE 3.81Å; D254-R340 IonicContact OD2-NH2 2.7Å; D254-R340 PolarHBondContact OD2-NH2 3.34Å; L257-R340 HydrophobicContact CD1-CB 4.48Å; L257-R340 HydrophobicContact CD1-CG 4.11Å; F313-R340 HydrophobicContact CE2-CB 3.97Å; F313-R340 HydrophobicContact CZ-CB 3.82Å; W336-R340 HydrophobicContact CD2-CG 4.38Å; W336-R340 HydrophobicContact CH2-CB 4.47Å; W336-R340 HydrophobicContact CH2-CG 4.02Å; W336-R340 HydrophobicContact CZ2-CG 3.78Å; W336-R340 HydrophobicContact CZ3-CB 4.48Å; W336-R340 HydrophobicContact CZ3-CG 4.42Å; W336-R340 VanDerWaalsContact NE1-NE 3.17Å; W336-R340 WeakPolarHBondContact O-CD 3.49Å; W336-R340 PolarHBondContact O-N 2.86Å; V337-R340 PolarHBondContact O-N 3.1Å; N338-R340 PolarHBondContact O-N 3.04Å; R340-E342 PolarHBondContact O-N 3.06Å; R340-V343 PolarHBondContact O-N 3.49Å; R340-V344 WeakPolarHBondContact O-CB 3.38Å; R340-V344 VanDerWaalsContact O-CG2 3.25Å; R340-V344 WeakPolarHBondContact O-CG2 3.36Å; R340-V344 PolarHBondContact O-N 3.45Å
341H93.5Very high89.3Confident55 Ų5562.7 Ų62.726%0.25531%0.31SS..Hα-helixtrans-60-43.7172.8-175.9-80.7000111.7F313 V337 N338 Q339 V344 L345F313-H341 HydrophobicContact CD2-CB 4.02Å; V337-H341 VanDerWaalsContact O-CB 3.27Å; V337-H341 WeakPolarHBondContact O-CB 3.47Å; V337-H341 PolarHBondContact O-N 3.28Å; N338-H341 WeakPolarHBondContact O-CB 3.28Å; N338-H341 PolarHBondContact O-N 2.87Å; Q339-H341 VanDerWaalsContact C-N 3.35Å; H341-V344 PolarHBondContact O-N 3.13Å; H341-L345 WeakPolarHBondContact O-CG 3.36Å; H341-L345 PolarHBondContact O-N 3.16Å
342E92.3Very high87.4Confident122 Ų12257.4 Ų57.457%0.5729%0.289SS*.Hα-helixtrans-63.3-40.6174.3-68.7177.2-16800113N338 Q339 R340 R346N338-E342 PolarHBondContact O-N 2.93Å; Q339-E342 PolarHBondContact O-N 2.86Å; R340-E342 PolarHBondContact O-N 3.06Å; E342-R346 WeakPolarHBondContact O-CB 3.31Å; E342-R346 PolarHBondContact O-N 3.22Å
343V92.3Very high85.3Confident48 Ų4855.5 Ų55.529%0.29128%0.283SS..Hα-helixtrans-62.5-45.1174.9173.50000111Q339 R340 R346 L347Q339-V343 PolarHBondContact O-N 3.24Å; R340-V343 PolarHBondContact O-N 3.49Å; V343-R346 WeakPolarHBondContact O-CB 3.47Å; V343-R346 PolarHBondContact O-N 2.89Å; V343-L347 HydrophobicContact CG1-CD1 4.14Å; V343-L347 WeakPolarHBondContact O-CG 3.42Å; V343-L347 PolarHBondContact O-N 2.92Å
344V92.1Very high82.8Confident0 Ų058.3 Ų58.30%030%0.3CS..Hα-helixtrans-64.3-41.7179.7172.30000111.8L257 I306 L309 L310 F313 R340 H341 L347 L348L257-V344 HydrophobicContact CD1-CG2 3.9Å; L257-V344 HydrophobicContact CD2-CG2 3.63Å; L257-V344 HydrophobicContact CG-CG2 4.44Å; I306-V344 HydrophobicContact CB-CG1 4.33Å; I306-V344 HydrophobicContact CG2-CG1 3.56Å; L309-V344 HydrophobicContact CD1-CG2 4.28Å; L310-V344 HydrophobicContact CD1-CG1 4.19Å; L310-V344 HydrophobicContact CD2-CB 4.17Å; L310-V344 HydrophobicContact CD2-CG1 3.64Å; L310-V344 HydrophobicContact CG-CG1 3.66Å; F313-V344 HydrophobicContact CE2-CG2 4.05Å; R340-V344 WeakPolarHBondContact O-CB 3.38Å; R340-V344 VanDerWaalsContact O-CG2 3.25Å; R340-V344 WeakPolarHBondContact O-CG2 3.36Å; R340-V344 PolarHBondContact O-N 3.45Å; H341-V344 PolarHBondContact O-N 3.13Å; V344-L347 PolarHBondContact O-N 3.06Å; V344-L348 PolarHBondContact O-N 3.1Å
345L88.5Confident80.3Confident28 Ų2861.1 Ų61.115%0.14732%0.323CS..Hα-helixtrans-62.1-42.4172.5-72.9178.3000111.8L310 H341 L347 L348 S349 V362 E366L310-L345 HydrophobicContact CD1-CD2 4.14Å; L310-L345 HydrophobicContact CD2-CD2 4.23Å; L310-L345 HydrophobicContact CD2-CG 4.35Å; H341-L345 WeakPolarHBondContact O-CG 3.36Å; H341-L345 PolarHBondContact O-N 3.16Å; L345-L347 PolarHBondContact O-N 3.44Å; L345-L348 WeakPolarHBondContact O-CB 3.49Å; L345-L348 PolarHBondContact O-N 3.27Å; L345-L348 VanDerWaalsContact O-N 3.15Å; L345-S349 PolarHBondContact O-N 3.16Å; L345-S349 PolarHBondContact O-OG 2.78Å; L345-V362 HydrophobicContact CD2-CG1 4.24Å; L345-E366 HydrophobicContact CD2-CG 4.23Å
346R87.5Confident78Confident165 Ų16563.9 Ų63.962%0.62334%0.342SS*.Hα-helixtrans-62-42.7177.9-167.3-174.9-56.6153.96.7112.4E342 V343 L348 S349 S350E342-R346 WeakPolarHBondContact O-CB 3.31Å; E342-R346 PolarHBondContact O-N 3.22Å; V343-R346 WeakPolarHBondContact O-CB 3.47Å; V343-R346 PolarHBondContact O-N 2.89Å; R346-L348 VanDerWaalsContact C-N 3.29Å; R346-L348 PolarHBondContact O-N 2.89Å; R346-S349 WeakPolarHBondContact O-CB 3.42Å; R346-S349 PolarHBondContact O-N 2.99Å; R346-S350 PolarHBondContact O-N 3.39Å; R346-S350 PolarHBondContact O-OG 3.03Å
347L86.7Confident75.3Confident15 Ų1566.8 Ų66.88%0.07937%0.367CS..Hα-helixtrans-64.3-33.4174.4-73.3171.8000112.4L257 F260 I306 V343 V344 L345 S350 N351L257-L347 HydrophobicContact CD2-CD1 4Å; F260-L347 HydrophobicContact CB-CD1 4.23Å; I306-L347 HydrophobicContact CD1-CB 4.45Å; V343-L347 HydrophobicContact CG1-CD1 4.14Å; V343-L347 WeakPolarHBondContact O-CG 3.42Å; V343-L347 PolarHBondContact O-N 2.92Å; V344-L347 PolarHBondContact O-N 3.06Å; L345-L347 PolarHBondContact O-N 3.44Å; L347-S350 WeakPolarHBondContact CA-OG 3.48Å; L347-S350 PolarHBondContact O-OG 3.39Å; L347-N351 PolarHBondContact O-ND2 3.42Å
348L84.7Confident72.5Confident4 Ų470.4 Ų70.42%0.02140%0.404CS..Hα-helixtrans-71.2-34.8175.8-159.358.2000112R303 I306 L310 V344 L345 R346 F361 V362 V365R303-L348 HydrophobicContact CG-CD1 4.08Å; I306-L348 HydrophobicContact CB-CD1 4.47Å; I306-L348 HydrophobicContact CD1-CD1 4.43Å; I306-L348 HydrophobicContact CG2-CB 4.15Å; I306-L348 HydrophobicContact CG2-CD1 3.7Å; I306-L348 HydrophobicContact CG2-CD2 4.06Å; I306-L348 HydrophobicContact CG2-CG 4.18Å; L310-L348 HydrophobicContact CD1-CD2 4.37Å; V344-L348 PolarHBondContact O-N 3.1Å; L345-L348 WeakPolarHBondContact O-CB 3.49Å; L345-L348 PolarHBondContact O-N 3.27Å; L345-L348 VanDerWaalsContact O-N 3.15Å; R346-L348 VanDerWaalsContact C-N 3.29Å; R346-L348 PolarHBondContact O-N 2.89Å; L348-F361 HydrophobicContact CD1-CD1 3.87Å; L348-F361 HydrophobicContact CD1-CE1 3.8Å; L348-F361 HydrophobicContact CD2-CD1 3.89Å; L348-F361 HydrophobicContact CD2-CE1 3.91Å; L348-F361 HydrophobicContact CG-CD1 3.91Å; L348-F361 HydrophobicContact CG-CE1 4.16Å; L348-V362 HydrophobicContact CB-CG2 4.04Å; L348-V362 HydrophobicContact CD2-CG2 4.26Å; L348-V362 HydrophobicContact CG-CG2 3.91Å; L348-V365 HydrophobicContact CD2-CB 4.44Å; L348-V365 HydrophobicContact CD2-CG1 4.5Å; L348-V365 HydrophobicContact CD2-CG2 4.25Å
349S79.4Confident70.6Confident64 Ų6469.6 Ų69.645%0.44841%0.412SS..Hα-helixtrans-69.8-39.4173.6-60.60000113.3L345 R346 N351 S352L345-S349 PolarHBondContact O-N 3.16Å; L345-S349 PolarHBondContact O-OG 2.78Å; R346-S349 WeakPolarHBondContact O-CB 3.42Å; R346-S349 PolarHBondContact O-N 2.99Å; S349-N351 PolarHBondContact O-N 2.84Å; S349-S352 PolarHBondContact O-N 3.16Å
350S71Confident69.6Low81 Ų8169 Ų6957%0.56642%0.415SS*.Hα-helixtrans-66.8-23.4-179.657.30000113.5R346 L347 S352R346-S350 PolarHBondContact O-N 3.39Å; R346-S350 PolarHBondContact O-OG 3.03Å; L347-S350 WeakPolarHBondContact CA-OG 3.48Å; L347-S350 PolarHBondContact O-OG 3.39Å; S350-S352 VanDerWaalsContact C-N 3.27Å; S350-S352 PolarHBondContact O-N 2.95Å
351N58.8Low69.1Low23 Ų2369.6 Ų69.612%0.12342%0.419CS..THydrogen-bonded Turntrans-88.619.7-177.1-61.7-16.5000113.4L265 L347 S349L265-N351 HydrophobicContact CD1-CB 4.33Å; L347-N351 PolarHBondContact O-ND2 3.42Å; S349-N351 PolarHBondContact O-N 2.84Å
352S52.6Low68.7Low26 Ų2668 Ų6818%0.18241%0.413CS..  trans-133.7107176.3-165.20000111.5S349 S350 N354S349-S352 PolarHBondContact O-N 3.16Å; S350-S352 VanDerWaalsContact C-N 3.27Å; S350-S352 PolarHBondContact O-N 2.95Å; S352-N354 PolarHBondContact O-N 2.83Å
353P49.6Very low68.5Low90 Ų9064.7 Ų64.758%0.58440%0.404SS*.  trans-80.713.2-175.932.6-36.1000114.8A267A267-P353 HydrophobicContact CB-CB 4.21Å; A267-P353 HydrophobicContact CB-CG 3.8Å
354N42.7Very low68.5Low93 Ų9365 Ų6550%0.49741%0.406SS..  trans-106.259.9-173.4-76.5-24.1000113.5S352 S356S352-N354 PolarHBondContact O-N 2.83Å; N354-S356 PolarHBondContact O-N 3.19Å
355N40.9Very low68.5Low167 Ų16765.5 Ų65.589%0.89341%0.409SS*.THydrogen-bonded Turntrans-74.917.1178.1-85.5-36.6000115.2
356S47.2Very low68.6Low109 Ų10968.4 Ų68.476%0.76242%0.422SS*.THydrogen-bonded Turntrans-118.2-1.3-178.342.60000114.3N354N354-S356 PolarHBondContact O-N 3.19Å
357S40.2Very low68.9Low92 Ų9268.1 Ų68.164%0.64342%0.421SS*.SBendtrans-147.293.4170.5-880000113
358G37.1Very low69.3Low77 Ų7771.4 Ų71.479%0.79444%0.438SS*.  trans38.786.2155.400000119.4T360G358-T360 PolarHBondContact O-N 2.69Å
359G54.4Low69.7Low50 Ų5072 Ų7252%0.51544%0.441SS..  trans40.961.6147.700000117.1S363G359-S363 WeakPolarHBondContact O-CB 3.34Å
360T74.5Confident70.4Confident81 Ų8173.6 Ų73.650%0.49744%0.441SS..  trans-76.7-65.2-167.255.80000113.7G358 T364G358-T360 PolarHBondContact O-N 2.69Å; T360-T364 WeakPolarHBondContact O-CB 3.32Å; T360-T364 PolarHBondContact O-OG1 3.22Å
361F85.1Confident71.6Confident71 Ų7178.9 Ų78.931%0.31145%0.449SS..SBendtrans-89.8-54.3-174.4-165.4-100000113.6R303 V307 L348 S363 T364 V365R303-F361 HydrophobicContact CB-CE1 4.38Å; R303-F361 HydrophobicContact CB-CZ 4.37Å; R303-F361 HydrophobicContact CG-CE1 4.24Å; V307-F361 HydrophobicContact CG2-CE1 4.22Å; V307-F361 HydrophobicContact CG2-CZ 4.3Å; L348-F361 HydrophobicContact CD1-CD1 3.87Å; L348-F361 HydrophobicContact CD1-CE1 3.8Å; L348-F361 HydrophobicContact CD2-CD1 3.89Å; L348-F361 HydrophobicContact CD2-CE1 3.91Å; L348-F361 HydrophobicContact CG-CD1 3.91Å; L348-F361 HydrophobicContact CG-CE1 4.16Å; F361-S363 PolarHBondContact O-N 3.43Å; F361-T364 WeakPolarHBondContact O-CA 3.35Å; F361-T364 WeakPolarHBondContact O-CB 3.12Å; F361-T364 PolarHBondContact O-N 3.43Å; F361-V365 HydrophobicContact CD1-CG2 3.93Å; F361-V365 HydrophobicContact CE1-CG2 3.52Å; F361-V365 HydrophobicContact CZ-CG2 3.86Å; F361-V365 PolarHBondContact O-N 3.46Å
362V86.2Confident73.3Confident21 Ų2181.5 Ų81.513%0.12746%0.46CS..Hα-helixtrans-58.6-51.6-174.2-175.60000111.3L345 L348 T364 V365 E366L345-V362 HydrophobicContact CD2-CG1 4.24Å; L348-V362 HydrophobicContact CB-CG2 4.04Å; L348-V362 HydrophobicContact CD2-CG2 4.26Å; L348-V362 HydrophobicContact CG-CG2 3.91Å; V362-T364 PolarHBondContact O-N 2.88Å; V362-V365 CarbonylContact O-C 3.56Å; V362-V365 WeakPolarHBondContact O-CA 3.46Å; V362-V365 WeakPolarHBondContact O-CB 3.4Å; V362-V365 PolarHBondContact O-N 3.43Å; V362-E366 HydrophobicContact CG1-CG 4.38Å; V362-E366 WeakPolarHBondContact O-CG 3.31Å; V362-E366 PolarHBondContact O-N 2.96Å
363S88Confident75.2Confident54 Ų5482.4 Ų82.438%0.37847%0.466SS..Hα-helixtrans-66.7-19.8178.7-47.40000113.6G359 F361 R367G359-S363 WeakPolarHBondContact O-CB 3.34Å; F361-S363 PolarHBondContact O-N 3.43Å; S363-R367 VanDerWaalsContact O-CB 3.26Å; S363-R367 WeakPolarHBondContact O-CB 3.39Å; S363-R367 PolarHBondContact O-N 2.88Å
364T91.1Very high77.3Confident54 Ų5484.7 Ų84.733%0.33146%0.464SS..Hα-helixtrans-76.1-43.1169.3-66.50000110.8T360 F361 V362 R367 I368T360-T364 WeakPolarHBondContact O-CB 3.32Å; T360-T364 PolarHBondContact O-OG1 3.22Å; F361-T364 WeakPolarHBondContact O-CA 3.35Å; F361-T364 WeakPolarHBondContact O-CB 3.12Å; F361-T364 PolarHBondContact O-N 3.43Å; V362-T364 PolarHBondContact O-N 2.88Å; T364-R367 PolarHBondContact O-N 2.97Å; T364-I368 HydrophobicContact CG2-CD1 3.98Å; T364-I368 VanDerWaalsContact O-CG1 3.26Å; T364-I368 WeakPolarHBondContact O-CG1 3.49Å; T364-I368 PolarHBondContact O-N 3.49Å
365V91.8Very high79.7Confident11 Ų1186 Ų867%0.06746%0.462CS..Hα-helixtrans-62-49.2173.9173.40000110.9V307 L310 L348 F361 V362 R367 I368 L369V307-V365 HydrophobicContact CG2-CG1 4.43Å; V307-V365 HydrophobicContact CG2-CG2 4.13Å; L310-V365 HydrophobicContact CD1-CG1 3.74Å; L348-V365 HydrophobicContact CD2-CB 4.44Å; L348-V365 HydrophobicContact CD2-CG1 4.5Å; L348-V365 HydrophobicContact CD2-CG2 4.25Å; F361-V365 HydrophobicContact CD1-CG2 3.93Å; F361-V365 HydrophobicContact CE1-CG2 3.52Å; F361-V365 HydrophobicContact CZ-CG2 3.86Å; F361-V365 PolarHBondContact O-N 3.46Å; V362-V365 CarbonylContact O-C 3.56Å; V362-V365 WeakPolarHBondContact O-CA 3.46Å; V362-V365 WeakPolarHBondContact O-CB 3.4Å; V362-V365 PolarHBondContact O-N 3.43Å; V365-R367 VanDerWaalsContact C-N 3.29Å; V365-R367 PolarHBondContact O-N 3.47Å; V365-I368 WeakPolarHBondContact O-CB 3.11Å; V365-I368 PolarHBondContact O-N 2.9Å; V365-L369 HydrophobicContact CG1-CD1 3.97Å; V365-L369 HydrophobicContact CG1-CG 4.35Å; V365-L369 WeakPolarHBondContact O-CG 3.46Å; V365-L369 PolarHBondContact O-N 2.86Å
366E92Very high82.1Confident89 Ų8979.3 Ų79.342%0.41643%0.426SS..Hα-helixtrans-55.3-43.7176.5-69.6176.7129.300112L345 V362 I368 L369 E370L345-E366 HydrophobicContact CD2-CG 4.23Å; V362-E366 HydrophobicContact CG1-CG 4.38Å; V362-E366 WeakPolarHBondContact O-CG 3.31Å; V362-E366 PolarHBondContact O-N 2.96Å; E366-I368 PolarHBondContact O-N 3.09Å; E366-L369 PolarHBondContact O-N 2.92Å; E366-E370 PolarHBondContact O-N 2.74Å
367R93.4Very high84.3Confident158 Ų15882.6 Ų82.660%0.59642%0.422SS*.Hα-helixtrans-72.2-25.3177.7-175.5159.74993.33.4113.7S363 T364 V365 R371S363-R367 VanDerWaalsContact O-CB 3.26Å; S363-R367 WeakPolarHBondContact O-CB 3.39Å; S363-R367 PolarHBondContact O-N 2.88Å; T364-R367 PolarHBondContact O-N 2.97Å; V365-R367 VanDerWaalsContact C-N 3.29Å; V365-R367 PolarHBondContact O-N 3.47Å; R367-R371 WeakPolarHBondContact O-CB 3.38Å; R367-R371 PolarHBondContact O-N 3.45Å; R367-R371 VanDerWaalsContact O-N 3.08Å
368I94.6Very high86.8Confident85 Ų8579.2 Ų79.244%0.43640%0.395SS..Hα-helixtrans-69.6-48.7168.9-71.8163.4000109.7T364 V365 E366 E370 R371 E372T364-I368 HydrophobicContact CG2-CD1 3.98Å; T364-I368 VanDerWaalsContact O-CG1 3.26Å; T364-I368 WeakPolarHBondContact O-CG1 3.49Å; T364-I368 PolarHBondContact O-N 3.49Å; V365-I368 WeakPolarHBondContact O-CB 3.11Å; V365-I368 PolarHBondContact O-N 2.9Å; E366-I368 PolarHBondContact O-N 3.09Å; I368-E370 VanDerWaalsContact C-N 3.33Å; I368-E370 PolarHBondContact O-N 3.19Å; I368-R371 CarbonylContact O-C 3.52Å; I368-R371 WeakPolarHBondContact O-CA 3.43Å; I368-R371 WeakPolarHBondContact O-CB 3.37Å; I368-R371 PolarHBondContact O-N 2.86Å; I368-E372 WeakPolarHBondContact O-CG 3.5Å; I368-E372 PolarHBondContact O-N 3.05Å
369L93.9Very high89.3Confident16 Ų1677 Ų778%0.08436%0.363CS..Hα-helixtrans-61-40.8177.2-61.2169.7000111.3L310 I311 Q314 V365 E366 R371 E372 S373L310-L369 HydrophobicContact CB-CD1 4.08Å; L310-L369 HydrophobicContact CD1-CD1 4.38Å; I311-L369 HydrophobicContact CG1-CD2 4.31Å; Q314-L369 PolarHBondContact NE2-O 2.65Å; Q314-L369 VanDerWaalsContact OE1-CB 3.32Å; Q314-L369 PolarHBondContact OE1-O 3.03Å; V365-L369 HydrophobicContact CG1-CD1 3.97Å; V365-L369 HydrophobicContact CG1-CG 4.35Å; V365-L369 WeakPolarHBondContact O-CG 3.46Å; V365-L369 PolarHBondContact O-N 2.86Å; E366-L369 PolarHBondContact O-N 2.92Å; L369-R371 PolarHBondContact O-N 3.09Å; L369-E372 PolarHBondContact O-N 3.35Å; L369-S373 PolarHBondContact O-N 2.75Å
370E94.6Very high91Very high97 Ų9776 Ų7645%0.45335%0.347SS..Hα-helixtrans-58.9-46.9171.5-164.5-152.3148.300111E366 I368 E372 S373 Y374E366-E370 PolarHBondContact O-N 2.74Å; I368-E370 VanDerWaalsContact C-N 3.33Å; I368-E370 PolarHBondContact O-N 3.19Å; E370-E372 VanDerWaalsContact C-N 3.33Å; E370-E372 PolarHBondContact O-N 3.35Å; E370-S373 VanDerWaalsContact O-CB 3.29Å; E370-S373 WeakPolarHBondContact O-CB 3.47Å; E370-S373 PolarHBondContact O-N 3.19Å; E370-S373 VanDerWaalsContact O-N 3.09Å; E370-S373 PolarHBondContact O-OG 3.47Å; E370-Y374 HydrophobicContact CG-CE2 4.14Å; E370-Y374 WeakPolarHBondContact OE1-CE2 3.15Å; E370-Y374 PolarHBondContact OE1-OH 3.13Å
371R95.3Very high91.8Very high193 Ų19377.4 Ų77.473%0.72835%0.351SS*.Hα-helixtrans-62.1-37.5177.8-178.4179.4169.6-170.4-4.4112.9R367 I368 L369 S373 Y374 W375R367-R371 WeakPolarHBondContact O-CB 3.38Å; R367-R371 PolarHBondContact O-N 3.45Å; R367-R371 VanDerWaalsContact O-N 3.08Å; I368-R371 CarbonylContact O-C 3.52Å; I368-R371 WeakPolarHBondContact O-CA 3.43Å; I368-R371 WeakPolarHBondContact O-CB 3.37Å; I368-R371 PolarHBondContact O-N 2.86Å; L369-R371 PolarHBondContact O-N 3.09Å; R371-S373 PolarHBondContact O-N 3.28Å; R371-Y374 PolarHBondContact O-N 2.86Å; R371-W375 PolarHBondContact O-N 3.03Å
372E94.5Very high91.9Very high78 Ų7875.6 Ų75.636%0.36435%0.353SS..Hα-helixtrans-62.9-31175-73.9-171.7-174.700112.2I368 L369 E370 Y374 W375 N376I368-E372 WeakPolarHBondContact O-CG 3.5Å; I368-E372 PolarHBondContact O-N 3.05Å; L369-E372 PolarHBondContact O-N 3.35Å; E370-E372 VanDerWaalsContact C-N 3.33Å; E370-E372 PolarHBondContact O-N 3.35Å; E372-Y374 PolarHBondContact O-N 2.86Å; E372-W375 PolarHBondContact O-N 3Å; E372-N376 WeakPolarHBondContact O-CB 2.91Å; E372-N376 PolarHBondContact O-N 2.71Å
373S93.2Very high92Very high44 Ų4475.1 Ų75.131%0.30835%0.35SS..Hα-helixtrans-62.1-41.2174.884.50000112.3L369 E370 R371 R377L369-S373 PolarHBondContact O-N 2.75Å; E370-S373 VanDerWaalsContact O-CB 3.29Å; E370-S373 WeakPolarHBondContact O-CB 3.47Å; E370-S373 PolarHBondContact O-N 3.19Å; E370-S373 VanDerWaalsContact O-N 3.09Å; E370-S373 PolarHBondContact O-OG 3.47Å; R371-S373 PolarHBondContact O-N 3.28Å; S373-R377 WeakPolarHBondContact O-CB 3.41Å; S373-R377 PolarHBondContact O-N 3.1Å
374Y93.7Very high92Very high138 Ų13876 Ų7654%0.54135%0.354SS..Hα-helixtrans-66.6-39174.9-57.2-57.8000111.7E370 R371 E372 R377 W378E370-Y374 HydrophobicContact CG-CE2 4.14Å; E370-Y374 WeakPolarHBondContact OE1-CE2 3.15Å; E370-Y374 PolarHBondContact OE1-OH 3.13Å; R371-Y374 PolarHBondContact O-N 2.86Å; E372-Y374 PolarHBondContact O-N 2.86Å; Y374-R377 PolarHBondContact O-N 3.48Å; Y374-W378 WeakPolarHBondContact O-CB 3.47Å; Y374-W378 PolarHBondContact O-N 3.39Å
375W92Very high91.7Very high121 Ų12176 Ų7646%0.45836%0.357SS..Hα-helixtrans-65.7-44.1177.1-173.2-107.4000112.3L169 R371 E372 R377 W378 K379 F386L169-W375 HydrophobicContact CD2-CZ2 4.45Å; R371-W375 PolarHBondContact O-N 3.03Å; E372-W375 PolarHBondContact O-N 3Å; W375-R377 VanDerWaalsContact C-N 3.34Å; W375-R377 PolarHBondContact O-N 2.99Å; W375-W378 HydrophobicContact CD2-CE3 4.17Å; W375-W378 HydrophobicContact CD2-CZ3 4.47Å; W375-W378 AromaticContact CE3-CE3 3.96Å; W375-W378 HydrophobicContact CE3-CE3 3.96Å; W375-W378 HydrophobicContact CE3-CZ3 4.29Å; W375-W378 AromaticContact CH2-CE3 4Å; W375-W378 HydrophobicContact CH2-CE3 4Å; W375-W378 HydrophobicContact CH2-CH2 4.03Å; W375-W378 AromaticContact CH2-CZ3 3.46Å; W375-W378 HydrophobicContact CH2-CZ3 3.46Å; W375-W378 VanDerWaalsContact CH2-CZ3 3.46Å; W375-W378 HydrophobicContact CZ2-CE3 4.2Å; W375-W378 AromaticContact CZ2-CZ3 3.66Å; W375-W378 HydrophobicContact CZ2-CZ3 3.66Å; W375-W378 AromaticContact CZ3-CE3 3.87Å; W375-W378 HydrophobicContact CZ3-CE3 3.87Å; W375-W378 HydrophobicContact CZ3-CH2 4.41Å; W375-W378 AromaticContact CZ3-CZ3 3.8Å; W375-W378 HydrophobicContact CZ3-CZ3 3.8Å; W375-W378 PolarHBondContact O-N 2.91Å; W375-K379 WeakPolarHBondContact O-CB 3.2Å; W375-K379 PolarHBondContact O-N 3.31Å; W375-F386 HydrophobicContact CZ3-CE2 4.37Å
376N91.7Very high91.3Very high27 Ų2781.3 Ų81.314%0.14438%0.379CS..Hα-helixtrans-64.2-39.1175.6-175.635.6000111.6T318 T319 E372 K379 N380T318-N376 WeakPolarHBondContact CG2-ND2 3.3Å; T319-N376 PolarHBondContact O-ND2 3.21Å; E372-N376 WeakPolarHBondContact O-CB 2.91Å; E372-N376 PolarHBondContact O-N 2.71Å; N376-K379 PolarHBondContact O-N 3.17Å; N376-N380 WeakPolarHBondContact O-CB 3.45Å; N376-N380 VanDerWaalsContact O-CG 3.27Å; N376-N380 PolarHBondContact O-N 3.31Å; N376-N380 PolarHBondContact O-ND2 3.02Å
377R92.8Very high90.5Very high177 Ų17782 Ų8267%0.66839%0.385SS*.Hα-helixtrans-60-52.5173.1-172.1175.6-171.6151.84.3111.9S373 Y374 W375 K379 N380 D381S373-R377 WeakPolarHBondContact O-CB 3.41Å; S373-R377 PolarHBondContact O-N 3.1Å; Y374-R377 PolarHBondContact O-N 3.48Å; W375-R377 VanDerWaalsContact C-N 3.34Å; W375-R377 PolarHBondContact O-N 2.99Å; R377-K379 PolarHBondContact O-N 3.15Å; R377-N380 PolarHBondContact O-N 3.35Å; R377-N380 VanDerWaalsContact O-N 3.1Å; R377-D381 VanDerWaalsContact O-CG 3.29Å; R377-D381 PolarHBondContact O-N 3.29Å
378W92.1Very high89.5Confident22 Ų2285.5 Ų85.58%0.08340%0.398CS..Hα-helixtrans-54.6-37.7176.1174.479.4000112.6L169 Y374 W375 G382 C383 P384 F386L169-W378 HydrophobicContact CD1-CH2 4.08Å; L169-W378 HydrophobicContact CD2-CH2 3.9Å; L169-W378 HydrophobicContact CD2-CZ3 3.95Å; Y374-W378 WeakPolarHBondContact O-CB 3.47Å; Y374-W378 PolarHBondContact O-N 3.39Å; W375-W378 HydrophobicContact CD2-CE3 4.17Å; W375-W378 HydrophobicContact CD2-CZ3 4.47Å; W375-W378 AromaticContact CE3-CE3 3.96Å; W375-W378 HydrophobicContact CE3-CE3 3.96Å; W375-W378 HydrophobicContact CE3-CZ3 4.29Å; W375-W378 AromaticContact CH2-CE3 4Å; W375-W378 HydrophobicContact CH2-CE3 4Å; W375-W378 HydrophobicContact CH2-CH2 4.03Å; W375-W378 AromaticContact CH2-CZ3 3.46Å; W375-W378 HydrophobicContact CH2-CZ3 3.46Å; W375-W378 VanDerWaalsContact CH2-CZ3 3.46Å; W375-W378 HydrophobicContact CZ2-CE3 4.2Å; W375-W378 AromaticContact CZ2-CZ3 3.66Å; W375-W378 HydrophobicContact CZ2-CZ3 3.66Å; W375-W378 AromaticContact CZ3-CE3 3.87Å; W375-W378 HydrophobicContact CZ3-CE3 3.87Å; W375-W378 HydrophobicContact CZ3-CH2 4.41Å; W375-W378 AromaticContact CZ3-CZ3 3.8Å; W375-W378 HydrophobicContact CZ3-CZ3 3.8Å; W375-W378 PolarHBondContact O-N 2.91Å; W378-G382 PolarHBondContact O-N 2.64Å; W378-C383 HydrophobicContact CD2-CB 4.44Å; W378-C383 HydrophobicContact CE3-CB 4.38Å; W378-C383 HydrophobicContact CH2-CB 3.55Å; W378-C383 HydrophobicContact CZ2-CB 3.6Å; W378-C383 HydrophobicContact CZ3-CB 3.96Å; W378-C383 WeakPolarHBondContact CZ3-SG 3.34Å; W378-C383 WeakPolarHBondContact O-CA 3.07Å; W378-C383 PolarHBondContact O-N 3.33Å; W378-P384 PolarHBondContact NE1-O 3.33Å; W378-F386 AromaticContact CD1-CE1 3.98Å; W378-F386 AromaticContact CD1-CE2 4Å; W378-F386 AromaticContact CD1-CZ 3.44Å; W378-F386 VanDerWaalsContact CD1-CZ 3.44Å; W378-F386 AromaticContact CD2-CE2 3.99Å; W378-F386 HydrophobicContact CD2-CE2 3.99Å; W378-F386 AromaticContact CD2-CZ 3.99Å; W378-F386 HydrophobicContact CD2-CZ 3.99Å; W378-F386 AromaticContact CE2-CE2 3.41Å; W378-F386 VanDerWaalsContact CE2-CE2 3.41Å; W378-F386 AromaticContact CE2-CZ 3.71Å; W378-F386 HydrophobicContact CG-CE2 4.33Å; W378-F386 AromaticContact CG-CZ 3.84Å; W378-F386 HydrophobicContact CG-CZ 3.84Å; W378-F386 HydrophobicContact CH2-CE2 4.43Å; W378-F386 HydrophobicContact CZ2-CD2 4.21Å; W378-F386 AromaticContact CZ2-CE2 3.68Å; W378-F386 HydrophobicContact CZ2-CE2 3.68Å; W378-F386 HydrophobicContact CZ2-CZ 4.43Å; W378-F386 AromaticContact NE1-CE1 3.98Å; W378-F386 AromaticContact NE1-CE2 3.43Å; W378-F386 AromaticContact NE1-CZ 3.35Å; W378-F386 VanDerWaalsContact NE1-CZ 3.35Å
379K90.6Very high88.3Confident29 Ų2987.1 Ų87.113%0.12641%0.412CS..Hα-helixtrans-70.5-43.7176-167-179.1-171.5-178.50113.2N170 F171 S173 W375 N376 R377 D381 G382N170-K379 WeakPolarHBondContact O-CE 3.34Å; N170-K379 PolarHBondContact O-NZ 3.49Å; F171-K379 VanDerWaalsContact O-CE 3.22Å; F171-K379 WeakPolarHBondContact O-CE 3.26Å; S173-K379 WeakPolarHBondContact OG-CE 3.34Å; S173-K379 PolarHBondContact OG-NZ 3.1Å; W375-K379 WeakPolarHBondContact O-CB 3.2Å; W375-K379 PolarHBondContact O-N 3.31Å; N376-K379 PolarHBondContact O-N 3.17Å; R377-K379 PolarHBondContact O-N 3.15Å; K379-D381 VanDerWaalsContact C-N 3.26Å; K379-D381 PolarHBondContact O-N 2.94Å; K379-G382 PolarHBondContact O-N 2.89Å
380N90.4Very high87Confident30 Ų3091.8 Ų91.816%0.1644%0.443CS..Hα-helixtrans-60.2-38.5174.5-73-27.8000111.4T319 K321 N376 R377 G382T319-N380 PolarHBondContact O-ND2 3.41Å; K321-N380 HydrophobicContact CB-CB 4.5Å; K321-N380 VanDerWaalsContact CB-OD1 3.29Å; K321-N380 WeakPolarHBondContact CB-OD1 3.4Å; K321-N380 VanDerWaalsContact CD-O 3.3Å; K321-N380 WeakPolarHBondContact CD-O 3.28Å; K321-N380 PolarHBondContact N-OD1 2.96Å; K321-N380 PolarHBondContact NZ-O 3.38Å; N376-N380 WeakPolarHBondContact O-CB 3.45Å; N376-N380 VanDerWaalsContact O-CG 3.27Å; N376-N380 PolarHBondContact O-N 3.31Å; N376-N380 PolarHBondContact O-ND2 3.02Å; R377-N380 PolarHBondContact O-N 3.35Å; R377-N380 VanDerWaalsContact O-N 3.1Å; N380-G382 PolarHBondContact O-N 2.84Å; N380-G382 VanDerWaalsContact O-N 3.16Å
381D90.4Very high85.4Confident111 Ų11196.1 Ų96.159%0.59446%0.463SS*.THydrogen-bonded Turntrans-70.1-4175.3-64.4-21.7000113.4R377 K379R377-D381 VanDerWaalsContact O-CG 3.29Å; R377-D381 PolarHBondContact O-N 3.29Å; K379-D381 VanDerWaalsContact C-N 3.26Å; K379-D381 PolarHBondContact O-N 2.94Å
382G87.1Confident83.7Confident33 Ų3396.5 Ų96.534%0.3447%0.47SS..THydrogen-bonded Turntrans95.820.6173.200000115.2W378 K379 N380W378-G382 PolarHBondContact O-N 2.64Å; K379-G382 PolarHBondContact O-N 2.89Å; N380-G382 PolarHBondContact O-N 2.84Å; N380-G382 VanDerWaalsContact O-N 3.16Å
383C88.8Confident81.8Confident11 Ų1196.9 Ų96.97%0.07448%0.482CS..  trans59.256.3178.3-59.40000114.2L169 W378L169-C383 HydrophobicContact CD1-CB 3.8Å; W378-C383 HydrophobicContact CD2-CB 4.44Å; W378-C383 HydrophobicContact CE3-CB 4.38Å; W378-C383 HydrophobicContact CH2-CB 3.55Å; W378-C383 HydrophobicContact CZ2-CB 3.6Å; W378-C383 HydrophobicContact CZ3-CB 3.96Å; W378-C383 WeakPolarHBondContact CZ3-SG 3.34Å; W378-C383 WeakPolarHBondContact O-CA 3.07Å; W378-C383 PolarHBondContact O-N 3.33Å
384P88.3Confident79.7Confident71 Ų71106.5 Ų106.546%0.46151%0.511SS..  trans-61.6143.7176.527.4-35.6000111.9W378 F386W378-P384 PolarHBondContact NE1-O 3.33Å; P384-F386 PolarHBondContact O-N 2.95Å
385S84.7Confident77.9Confident56 Ų56106.6 Ų106.639%0.39252%0.52SS..  trans-61.2129-177.6-158.60000112.7D164 I387D164-S385 PolarHBondContact OD1-OG 3.47Å; D164-S385 WeakPolarHBondContact OD2-CB 3.34Å; D164-S385 PolarHBondContact OD2-OG 3Å; S385-I387 PolarHBondContact OG-N 3.2Å
386F82.3Confident75.8Confident121 Ų121105.5 Ų105.553%0.53153%0.531SS..  trans-73.5-18.2166-65.5-68.1000112.1L163 W375 W378 P384 R388L163-F386 HydrophobicContact CD1-CD2 4.47Å; W375-F386 HydrophobicContact CZ3-CE2 4.37Å; W378-F386 AromaticContact CD1-CE1 3.98Å; W378-F386 AromaticContact CD1-CE2 4Å; W378-F386 AromaticContact CD1-CZ 3.44Å; W378-F386 VanDerWaalsContact CD1-CZ 3.44Å; W378-F386 AromaticContact CD2-CE2 3.99Å; W378-F386 HydrophobicContact CD2-CE2 3.99Å; W378-F386 AromaticContact CD2-CZ 3.99Å; W378-F386 HydrophobicContact CD2-CZ 3.99Å; W378-F386 AromaticContact CE2-CE2 3.41Å; W378-F386 VanDerWaalsContact CE2-CE2 3.41Å; W378-F386 AromaticContact CE2-CZ 3.71Å; W378-F386 HydrophobicContact CG-CE2 4.33Å; W378-F386 AromaticContact CG-CZ 3.84Å; W378-F386 HydrophobicContact CG-CZ 3.84Å; W378-F386 HydrophobicContact CH2-CE2 4.43Å; W378-F386 HydrophobicContact CZ2-CD2 4.21Å; W378-F386 AromaticContact CZ2-CE2 3.68Å; W378-F386 HydrophobicContact CZ2-CE2 3.68Å; W378-F386 HydrophobicContact CZ2-CZ 4.43Å; W378-F386 AromaticContact NE1-CE1 3.98Å; W378-F386 AromaticContact NE1-CE2 3.43Å; W378-F386 AromaticContact NE1-CZ 3.35Å; W378-F386 VanDerWaalsContact NE1-CZ 3.35Å; P384-F386 PolarHBondContact O-N 2.95Å; F386-R388 PolarHBondContact O-N 3.06Å
387I76.8Confident73.8Confident104 Ų104110.2 Ų110.253%0.53356%0.561SS.*  trans-72.5100178.3-56.8177.2000107.7P162 S385 T389P162-I387 HydrophobicContact CB-CD1 3.56Å; S385-I387 PolarHBondContact OG-N 3.2Å; I387-T389 PolarHBondContact O-N 3.09Å
388R72.1Confident71.8Confident231 Ų231113 Ų11387%0.87257%0.571SS**  trans-59.5113.9161.2-63.8-178-177.4-178.70.9106.3F386F386-R388 PolarHBondContact O-N 3.06Å
389T69.6Low69.8Low120 Ų120121.2 Ų121.274%0.73661%0.607SS**PPolyproline II helixtrans-48.5128.3166.249.10000106.9I387 E391I387-T389 PolarHBondContact O-N 3.09Å; T389-E391 PolarHBondContact O-N 3.11Å; T389-E391 VanDerWaalsContact O-N 3.07Å
390P67Low68.1Low113 Ų113130.7 Ų130.773%0.73464%0.642SS**PPolyproline II helixtrans-52.1127.1177.322.1-32.4000106.7K392P390-K392 PolarHBondContact O-N 3.47Å
391E60.2Low66.3Low189 Ų189138.1 Ų138.188%0.88368%0.676SS**PPolyproline II helixtrans-49.3116.6171.2-82-164.714500105.2T389 S393T389-E391 PolarHBondContact O-N 3.11Å; T389-E391 VanDerWaalsContact O-N 3.07Å; E391-S393 WeakPolarHBondContact O-CA 3.38Å; E391-S393 PolarHBondContact O-N 3.31Å
392K60Low64.7Low200 Ų200138.7 Ų138.787%0.8768%0.677SS**  trans-46.2111.7-178.9-78-177.8178.8178.40104.7P390 R394P390-K392 PolarHBondContact O-N 3.47Å; K392-R394 PolarHBondContact O-N 3.27Å
393S53.8Low63.6Low87 Ų87141.1 Ų141.161%0.60868%0.683SS**  trans-52.8125.2-173.856.60000104E391 L395E391-S393 WeakPolarHBondContact O-CA 3.38Å; E391-S393 PolarHBondContact O-N 3.31Å; S393-L395 PolarHBondContact O-N 2.98Å
394R49.4Very low62.6Low246 Ų246144.2 Ų144.293%0.92870%0.703SS**  trans-6973.7166.2-71.3-177.1179.1178.71.3104K392 S396K392-R394 PolarHBondContact O-N 3.27Å; R394-S396 PolarHBondContact O-N 3.41Å
395L55.2Low61.8Low140 Ų140144.8 Ų144.873%0.73370%0.702SS**  trans-43.2100.4149.5-66.6-179.8000101.6S393 V397S393-L395 PolarHBondContact O-N 2.98Å; L395-V397 VanDerWaalsContact C-N 3.32Å; L395-V397 PolarHBondContact O-N 2.69Å
396S47.9Very low61.3Low97 Ų97144.4 Ų144.468%0.67870%0.697SS**  trans-52.8110.5-179.147.50000102.9R394 R398R394-S396 PolarHBondContact O-N 3.41Å; S396-R398 VanDerWaalsContact C-N 3.29Å; S396-R398 VanDerWaalsContact O-CA 3.31Å; S396-R398 WeakPolarHBondContact O-CA 3.27Å; S396-R398 PolarHBondContact O-N 3.06Å
397V49.5Very low60.7Low127 Ų127141.1 Ų141.177%0.7769%0.686SS**  trans-49.9106-167.4170.30000104.1L395 K399L395-V397 VanDerWaalsContact C-N 3.32Å; L395-V397 PolarHBondContact O-N 2.69Å; V397-K399 WeakPolarHBondContact O-CA 3.44Å; V397-K399 PolarHBondContact O-N 3.11Å
398R51.2Low60.2Low235 Ų235148.1 Ų148.189%0.88771%0.706SS**  trans-61.5102-166.6-88-172.3176.8179.5-0.1102.2S396 R400S396-R398 VanDerWaalsContact C-N 3.29Å; S396-R398 VanDerWaalsContact O-CA 3.31Å; S396-R398 WeakPolarHBondContact O-CA 3.27Å; S396-R398 PolarHBondContact O-N 3.06Å; R398-R400 VanDerWaalsContact C-N 3.34Å; R398-R400 WeakPolarHBondContact O-CA 3.48Å; R398-R400 PolarHBondContact O-N 3.42Å
399K51.6Low60.2Low194 Ų194142.5 Ų142.584%0.84370%0.698SS**  trans-54108.2-165.1-79.2-179.4177175.70103.5V397 H401V397-K399 WeakPolarHBondContact O-CA 3.44Å; V397-K399 PolarHBondContact O-N 3.11Å; K399-H401 WeakPolarHBondContact O-CA 3.36Å; K399-H401 PolarHBondContact O-N 3.48Å
400R54.1Low60.2Low228 Ų228139.3 Ų139.386%0.8669%0.689SS**  trans-43.4117.8-161.3-70.6-179.2-175.9168.6-0105.6R398 I402R398-R400 VanDerWaalsContact C-N 3.34Å; R398-R400 WeakPolarHBondContact O-CA 3.48Å; R398-R400 PolarHBondContact O-N 3.42Å; R400-I402 VanDerWaalsContact O-CG1 3.31Å; R400-I402 WeakPolarHBondContact O-CG1 3.43Å; R400-I402 PolarHBondContact O-N 2.88Å
401H51.5Low60.2Low186 Ų186140 Ų14086%0.86168%0.682SS**  trans-58.798.3-167.8-131.1-89.3000106.1K399 N403K399-H401 WeakPolarHBondContact O-CA 3.36Å; K399-H401 PolarHBondContact O-N 3.48Å; H401-N403 PolarHBondContact O-N 3.09Å
402I57.5Low60.8Low123 Ų123138.3 Ų138.363%0.63167%0.672SS**  trans-66.3115.1-172.7-62.1-179.5000102.2R400 P404R400-I402 VanDerWaalsContact O-CG1 3.31Å; R400-I402 WeakPolarHBondContact O-CG1 3.43Å; R400-I402 PolarHBondContact O-N 2.88Å; I402-P404 WeakPolarHBondContact O-CD 3.46Å
403N64.1Low61.6Low85 Ų85130 Ų13046%0.45564%0.637SS.*  trans-50.6116.5-176-179.6-17.1000106.7H401 L405 V406H401-N403 PolarHBondContact O-N 3.09Å; N403-L405 PolarHBondContact O-N 2.8Å; N403-L405 WeakPolarHBondContact OD1-CB 3.38Å; N403-L405 PolarHBondContact OD1-N 3.21Å; N403-L405 VanDerWaalsContact OD1-N 3.16Å; N403-V406 HydrophobicContact CB-CB 4.27Å; N403-V406 HydrophobicContact CB-CG2 3.87Å; N403-V406 PolarHBondContact O-N 3.26Å
404P67.2Low62.7Low76 Ų76129.9 Ų129.949%0.49463%0.625SS.*THydrogen-bonded Turntrans-64.1-12.8-170.224.6-34.3000112.4I402 R415I402-P404 WeakPolarHBondContact O-CD 3.46Å; P404-R415 PolarHBondContact O-NE 2.93Å
405L72.9Confident64Low83 Ų83125.6 Ų125.644%0.43561%0.608SS.*THydrogen-bonded Turntrans-93.617173.8-50.3178000113.1N403 K412 V413 R415N403-L405 PolarHBondContact O-N 2.8Å; N403-L405 WeakPolarHBondContact OD1-CB 3.38Å; N403-L405 PolarHBondContact OD1-N 3.21Å; N403-L405 VanDerWaalsContact OD1-N 3.16Å; L405-K412 CarbonylContact O-C 3.6Å; L405-K412 VanDerWaalsContact O-CA 3.31Å; L405-K412 WeakPolarHBondContact O-CA 3.43Å; L405-V413 VanDerWaalsContact CA-O 3.28Å; L405-V413 WeakPolarHBondContact CA-O 3.41Å; L405-V413 WeakPolarHBondContact CB-O 3.28Å; L405-V413 WeakPolarHBondContact CD2-O 3.39Å; L405-V413 PolarHBondContact O-N 3.35Å; L405-R415 HydrophobicContact CD2-CB 4.18Å; L405-R415 HydrophobicContact CD2-CG 4.3Å
406V74.1Confident65.1Low48 Ų48123.7 Ų123.729%0.29159%0.594SS.*BIsolated β-bridgetrans-138.3125.9177.7-172.80000110.5N403 Q411N403-V406 HydrophobicContact CB-CB 4.27Å; N403-V406 HydrophobicContact CB-CG2 3.87Å; N403-V406 PolarHBondContact O-N 3.26Å; V406-Q411 WeakPolarHBondContact CA-O 3.14Å
407T68.9Low66.5Low51 Ų51122.8 Ų122.831%0.31360%0.601SS.*  trans-67.9166.1173.452.10000112.1T409 G410 Q411 V413T407-T409 PolarHBondContact O-N 3Å; T407-T409 VanDerWaalsContact O-N 3.11Å; T407-T409 PolarHBondContact OG1-OG1 3.31Å; T407-G410 PolarHBondContact O-N 2.93Å; T407-Q411 PolarHBondContact N-O 3.44Å; T407-Q411 WeakPolarHBondContact OG1-CA 3.43Å; T407-Q411 WeakPolarHBondContact OG1-CB 3.29Å; T407-Q411 PolarHBondContact OG1-N 2.8Å; T407-Q411 PolarHBondContact OG1-O 3.37Å; T407-V413 HydrophobicContact CG2-CG2 3.29Å
408R66.3Low68.3Low251 Ų251120.8 Ų120.895%0.94759%0.586SS**THydrogen-bonded Turntrans-61.4-17.2171.5-60.7-179.895.4167.74.6113.5
409T71.4Confident69.9Low113 Ų113118.9 Ų118.969%0.69358%0.578SS**THydrogen-bonded Turntrans-92.44175.149.10000113.4T407 Q411T407-T409 PolarHBondContact O-N 3Å; T407-T409 VanDerWaalsContact O-N 3.11Å; T407-T409 PolarHBondContact OG1-OG1 3.31Å; T409-Q411 VanDerWaalsContact C-N 3.29Å; T409-Q411 PolarHBondContact O-N 3.36Å
410G69.6Low71.5Confident53 Ų53113.6 Ų113.655%0.54656%0.557SS.*SBendtrans82.1-3.8178.600000115.2T407T407-G410 PolarHBondContact O-N 2.93Å
411Q68.5Low72.8Confident127 Ų127106.2 Ų106.259%0.59353%0.534SS*.  trans-72.1136.9175.5-64.8176.9-29.600110.8V406 T407 T409V406-Q411 WeakPolarHBondContact CA-O 3.14Å; T407-Q411 PolarHBondContact N-O 3.44Å; T407-Q411 WeakPolarHBondContact OG1-CA 3.43Å; T407-Q411 WeakPolarHBondContact OG1-CB 3.29Å; T407-Q411 PolarHBondContact OG1-N 2.8Å; T407-Q411 PolarHBondContact OG1-O 3.37Å; T409-Q411 VanDerWaalsContact C-N 3.29Å; T409-Q411 PolarHBondContact O-N 3.36Å
412K72.3Confident74.4Confident155 Ų15598.8 Ų98.867%0.67450%0.5SS*.BIsolated β-bridgetrans-62.4136.6174.4-67.2-179.6179.8177.50110.3L405L405-K412 CarbonylContact O-C 3.6Å; L405-K412 VanDerWaalsContact O-CA 3.31Å; L405-K412 WeakPolarHBondContact O-CA 3.43Å
413V77.1Confident75.6Confident24 Ų2499.4 Ų99.415%0.14550%0.499CS..  trans-115.1125.2177.5-179.20000107.9L405 T407 R415 N426L405-V413 VanDerWaalsContact CA-O 3.28Å; L405-V413 WeakPolarHBondContact CA-O 3.41Å; L405-V413 WeakPolarHBondContact CB-O 3.28Å; L405-V413 WeakPolarHBondContact CD2-O 3.39Å; L405-V413 PolarHBondContact O-N 3.35Å; T407-V413 HydrophobicContact CG2-CG2 3.29Å; V413-R415 HydrophobicContact CG1-CG 4.2Å; V413-N426 WeakPolarHBondContact CA-OD1 3.46Å
414Y76.3Confident76.5Confident86 Ų86100.7 Ų100.734%0.33751%0.505SS..  trans-85.1134.3171.2-60.5-83.3000109.9F416 W425 N426 P429Y414-F416 HydrophobicContact CD1-CE2 4.48Å; Y414-F416 HydrophobicContact CD1-CZ 4.28Å; Y414-F416 HydrophobicContact CG-CE2 4.28Å; Y414-W425 HydrophobicContact CD2-CB 4.39Å; Y414-W425 HydrophobicContact CG-CB 4.38Å; Y414-N426 PolarHBondContact N-OD1 3.31Å; Y414-N426 PolarHBondContact O-ND2 3.15Å; Y414-P429 HydrophobicContact CE2-CB 4.1Å
415R77Confident77.1Confident155 Ų155103.3 Ų103.359%0.58551%0.505SS*.  trans-132.1114.1172.8-64.3-173-172.3-117.64109.1P404 L405 V413 D422P404-R415 PolarHBondContact O-NE 2.93Å; L405-R415 HydrophobicContact CD2-CB 4.18Å; L405-R415 HydrophobicContact CD2-CG 4.3Å; V413-R415 HydrophobicContact CG1-CG 4.2Å; R415-D422 WeakPolarHBondContact CA-OD1 3.34Å
416F78.7Confident77.5Confident100 Ų100101.9 Ų101.944%0.43950%0.498SS..  trans-107.62.4179.6-62.3-78.3000112.3Y414 N418 L421 D422 W425Y414-F416 HydrophobicContact CD1-CE2 4.48Å; Y414-F416 HydrophobicContact CD1-CZ 4.28Å; Y414-F416 HydrophobicContact CG-CE2 4.28Å; F416-N418 VanDerWaalsContact C-N 3.26Å; F416-N418 PolarHBondContact O-N 3.37Å; F416-L421 HydrophobicContact CB-CB 4.07Å; F416-L421 HydrophobicContact CB-CD1 4.27Å; F416-L421 HydrophobicContact CD2-CB 4.39Å; F416-D422 PolarHBondContact N-OD1 3.46Å; F416-W425 HydrophobicContact CD2-CB 4.33Å; F416-W425 HydrophobicContact CD2-CG 4.06Å; F416-W425 HydrophobicContact CE2-CB 3.68Å; F416-W425 AromaticContact CE2-CD1 3.66Å; F416-W425 AromaticContact CE2-CD2 3.51Å; F416-W425 HydrophobicContact CE2-CD2 3.51Å; F416-W425 AromaticContact CE2-CE2 3.94Å; F416-W425 HydrophobicContact CE2-CE3 4.05Å; F416-W425 AromaticContact CE2-CG 3.33Å; F416-W425 HydrophobicContact CE2-CG 3.33Å; F416-W425 AromaticContact CE2-NE1 3.99Å; F416-W425 AromaticContact CZ-CD2 3.79Å; F416-W425 HydrophobicContact CZ-CD2 3.79Å; F416-W425 AromaticContact CZ-CE3 3.99Å; F416-W425 HydrophobicContact CZ-CE3 3.99Å; F416-W425 HydrophobicContact CZ-CG 4.12Å; F416-W425 HydrophobicContact CZ-CZ2 4.43Å; F416-W425 HydrophobicContact CZ-CZ3 4.4Å
417G77.1Confident77.7Confident79 Ų79104.7 Ų104.781%0.81452%0.515SS*.SBendtrans84.9-12.6174.900000114.7D422G417-D422 PolarHBondContact N-OD1 3.14Å
418N87.2Confident77.9Confident85 Ų85104.7 Ų104.746%0.45552%0.517SS..SBendtrans-104123.8169177.5-15.3000109.3F416 E420 L421 D422F416-N418 VanDerWaalsContact C-N 3.26Å; F416-N418 PolarHBondContact O-N 3.37Å; N418-E420 PolarHBondContact O-N 2.78Å; N418-E420 VanDerWaalsContact O-N 3.13Å; N418-E420 PolarHBondContact OD1-N 2.66Å; N418-L421 HydrophobicContact CB-CB 4.22Å; N418-L421 HydrophobicContact CB-CD1 4.09Å; N418-L421 HydrophobicContact CB-CG 4.13Å; N418-L421 PolarHBondContact O-N 2.81Å; N418-D422 PolarHBondContact O-N 3.34Å
419R84.2Confident78Confident195 Ų19596 Ų9674%0.73649%0.492SS*.Hα-helixtrans-52.9-36.6-177.9-165.1-171.973.8173.90.9113.6K423R419-K423 VanDerWaalsContact O-CB 3.24Å; R419-K423 WeakPolarHBondContact O-CB 3.33Å; R419-K423 PolarHBondContact O-N 3.36Å
420E84.9Confident78.1Confident83 Ų8394.5 Ų94.539%0.38848%0.48SS..Hα-helixtrans-79.1-29.6-178.8-56.9-50.2133.300112.4N418 K423 L424N418-E420 PolarHBondContact O-N 2.78Å; N418-E420 VanDerWaalsContact O-N 3.13Å; N418-E420 PolarHBondContact OD1-N 2.66Å; E420-K423 IonicContact OE2-NZ 3.8Å; E420-L424 VanDerWaalsContact O-CB 3.32Å; E420-L424 WeakPolarHBondContact O-CB 3.41Å; E420-L424 PolarHBondContact O-N 2.94Å
421L82.9Confident78.4Confident72 Ų7297.9 Ų97.938%0.37749%0.486SS..Hα-helixtrans-71.4-45.9169.8-67.4-179.8000111F416 N418 K423 L424 W425F416-L421 HydrophobicContact CB-CB 4.07Å; F416-L421 HydrophobicContact CB-CD1 4.27Å; F416-L421 HydrophobicContact CD2-CB 4.39Å; N418-L421 HydrophobicContact CB-CB 4.22Å; N418-L421 HydrophobicContact CB-CD1 4.09Å; N418-L421 HydrophobicContact CB-CG 4.13Å; N418-L421 PolarHBondContact O-N 2.81Å; L421-K423 VanDerWaalsContact C-N 3.26Å; L421-K423 PolarHBondContact O-N 3.24Å; L421-L424 PolarHBondContact O-N 3.43Å; L421-W425 VanDerWaalsContact O-CD1 3.31Å; L421-W425 PolarHBondContact O-N 3.11Å
422D83.5Confident78.9Confident30 Ų3097.4 Ų97.416%0.1649%0.487CS..Hα-helixtrans-54.9-44.7173.3-73.322.9000110.3R415 F416 G417 N418 N426R415-D422 WeakPolarHBondContact CA-OD1 3.34Å; F416-D422 PolarHBondContact N-OD1 3.46Å; G417-D422 PolarHBondContact N-OD1 3.14Å; N418-D422 PolarHBondContact O-N 3.34Å; D422-N426 WeakPolarHBondContact O-CB 3.45Å; D422-N426 PolarHBondContact O-N 3.37Å; D422-N426 PolarHBondContact O-ND2 2.9Å
423K83.8Confident79.1Confident137 Ų13792.5 Ų92.560%0.59648%0.475SS*.Hα-helixtrans-62.1-51.4175.8-179.2-176.6172.8-1690111.8R419 E420 L421 N426 V427R419-K423 VanDerWaalsContact O-CB 3.24Å; R419-K423 WeakPolarHBondContact O-CB 3.33Å; R419-K423 PolarHBondContact O-N 3.36Å; E420-K423 IonicContact OE2-NZ 3.8Å; L421-K423 VanDerWaalsContact C-N 3.26Å; L421-K423 PolarHBondContact O-N 3.24Å; K423-N426 PolarHBondContact O-N 3.37Å; K423-V427 WeakPolarHBondContact O-CG2 3.21Å; K423-V427 PolarHBondContact O-N 3.14Å
424L82.8Confident79Confident112 Ų11292 Ų9259%0.58647%0.473SS*.Hα-helixtrans-60.6-48-176178.563.5000112.5E420 L421 N426 V427E420-L424 VanDerWaalsContact O-CB 3.32Å; E420-L424 WeakPolarHBondContact O-CB 3.41Å; E420-L424 PolarHBondContact O-N 2.94Å; L421-L424 PolarHBondContact O-N 3.43Å; L424-N426 VanDerWaalsContact C-N 3.29Å; L424-N426 PolarHBondContact O-N 3.42Å; L424-V427 WeakPolarHBondContact O-CG2 3.19Å; L424-V427 PolarHBondContact O-N 3.39Å
425W80.2Confident79Confident131 Ų13191.1 Ų91.150%0.49648%0.479SS..Hα-helixtrans-74.3-18-176.8-77.979.3000114Y414 F416 L421Y414-W425 HydrophobicContact CD2-CB 4.39Å; Y414-W425 HydrophobicContact CG-CB 4.38Å; F416-W425 HydrophobicContact CD2-CB 4.33Å; F416-W425 HydrophobicContact CD2-CG 4.06Å; F416-W425 HydrophobicContact CE2-CB 3.68Å; F416-W425 AromaticContact CE2-CD1 3.66Å; F416-W425 AromaticContact CE2-CD2 3.51Å; F416-W425 HydrophobicContact CE2-CD2 3.51Å; F416-W425 AromaticContact CE2-CE2 3.94Å; F416-W425 HydrophobicContact CE2-CE3 4.05Å; F416-W425 AromaticContact CE2-CG 3.33Å; F416-W425 HydrophobicContact CE2-CG 3.33Å; F416-W425 AromaticContact CE2-NE1 3.99Å; F416-W425 AromaticContact CZ-CD2 3.79Å; F416-W425 HydrophobicContact CZ-CD2 3.79Å; F416-W425 AromaticContact CZ-CE3 3.99Å; F416-W425 HydrophobicContact CZ-CE3 3.99Å; F416-W425 HydrophobicContact CZ-CG 4.12Å; F416-W425 HydrophobicContact CZ-CZ2 4.43Å; F416-W425 HydrophobicContact CZ-CZ3 4.4Å; L421-W425 VanDerWaalsContact O-CD1 3.31Å; L421-W425 PolarHBondContact O-N 3.11Å
426N81Confident79Confident52 Ų5293.4 Ų93.428%0.27849%0.488SS..THydrogen-bonded Turntrans-94.92.3174.7-67.3-52.9000113.8V413 Y414 D422 K423 L424V413-N426 WeakPolarHBondContact CA-OD1 3.46Å; Y414-N426 PolarHBondContact N-OD1 3.31Å; Y414-N426 PolarHBondContact O-ND2 3.15Å; D422-N426 WeakPolarHBondContact O-CB 3.45Å; D422-N426 PolarHBondContact O-N 3.37Å; D422-N426 PolarHBondContact O-ND2 2.9Å; K423-N426 PolarHBondContact O-N 3.37Å; L424-N426 VanDerWaalsContact C-N 3.29Å; L424-N426 PolarHBondContact O-N 3.42Å
427V78.6Confident78.8Confident107 Ų10791.7 Ų91.765%0.64848%0.483SS*.SBendtrans-61.9-47.6174.9176.30000111K423 L424K423-V427 WeakPolarHBondContact O-CG2 3.21Å; K423-V427 PolarHBondContact O-N 3.14Å; L424-V427 WeakPolarHBondContact O-CG2 3.19Å; L424-V427 PolarHBondContact O-N 3.39Å
428C72.9Confident78.7Confident52 Ų5297.5 Ų97.535%0.35149%0.486SS..  trans-151.7108.6172.6-860000108.5D430 A434C428-D430 PolarHBondContact O-N 3.38Å; C428-D430 VanDerWaalsContact O-N 3.15Å; C428-A434 HydrophobicContact CB-CB 3.73Å
429P67.6Low78.2Confident67 Ų67104 Ų10444%0.43550%0.504SS..SBendtrans-58.5-24.3177.1-2937.4000114.5Y414Y414-P429 HydrophobicContact CE2-CB 4.1Å
430D74.4Confident77.6Confident83 Ų83100.8 Ų100.844%0.44449%0.492SS..  trans-115.1111.3172.9177.512.1000110.4C428 L432 A433 A434C428-D430 PolarHBondContact O-N 3.38Å; C428-D430 VanDerWaalsContact O-N 3.15Å; D430-L432 VanDerWaalsContact C-N 3.28Å; D430-L432 PolarHBondContact O-N 3.29Å; D430-L432 WeakPolarHBondContact OD1-CB 3.37Å; D430-L432 PolarHBondContact OD1-N 3.11Å; D430-A433 HydrophobicContact CB-CB 3.98Å; D430-A433 PolarHBondContact O-N 2.93Å; D430-A433 WeakPolarHBondContact OD2-CB 3.42Å; D430-A433 PolarHBondContact OD2-N 2.86Å; D430-A434 PolarHBondContact O-N 3.36Å; D430-A434 VanDerWaalsContact O-N 3.11Å
431N75.9Confident76.9Confident124 Ų124101.8 Ų101.866%0.66350%0.503SS*.Hα-helixtrans-65.7-28.4177.2-70.2-44000112.7A434 C435N431-A434 PolarHBondContact O-N 2.97Å; N431-C435 WeakPolarHBondContact O-CB 3.36Å; N431-C435 PolarHBondContact O-N 2.81Å; N431-C435 PolarHBondContact O-SG 2.71Å; N431-C435 VanDerWaalsContact O-SG 3.36Å
432L79.2Confident76.2Confident117 Ų117104.8 Ų104.861%0.61351%0.514SS*.Hα-helixtrans-73-37.8177.7-62.2176.6000111.1D430 C435 R436D430-L432 VanDerWaalsContact C-N 3.28Å; D430-L432 PolarHBondContact O-N 3.29Å; D430-L432 WeakPolarHBondContact OD1-CB 3.37Å; D430-L432 PolarHBondContact OD1-N 3.11Å; L432-C435 PolarHBondContact O-N 3.2Å; L432-R436 WeakPolarHBondContact O-CG 3.41Å; L432-R436 PolarHBondContact O-N 2.98Å
433A75.8Confident75.7Confident51 Ų51108 Ų10842%0.42153%0.531SS..Hα-helixtrans-63.4-42.5169.800000111.8D430 C435 R436 D437D430-A433 HydrophobicContact CB-CB 3.98Å; D430-A433 PolarHBondContact O-N 2.93Å; D430-A433 WeakPolarHBondContact OD2-CB 3.42Å; D430-A433 PolarHBondContact OD2-N 2.86Å; A433-C435 VanDerWaalsContact C-N 3.29Å; A433-C435 PolarHBondContact O-N 3.31Å; A433-R436 CarbonylContact O-C 3.6Å; A433-R436 WeakPolarHBondContact O-CA 3.24Å; A433-R436 PolarHBondContact O-N 3.21Å; A433-D437 PolarHBondContact O-N 2.93Å; A433-D437 VanDerWaalsContact O-N 3.14Å
434A76.1Confident75.4Confident13 Ų13103.3 Ų103.311%0.10751%0.514CS..Hα-helixtrans-61.1-36.6174.900000112.8C428 D430 N431 R436 D437 R440C428-A434 HydrophobicContact CB-CB 3.73Å; D430-A434 PolarHBondContact O-N 3.36Å; D430-A434 VanDerWaalsContact O-N 3.11Å; N431-A434 PolarHBondContact O-N 2.97Å; A434-R436 PolarHBondContact O-N 3.35Å; A434-D437 PolarHBondContact O-N 3.24Å; A434-R440 WeakPolarHBondContact O-CD 3.48Å; A434-R440 PolarHBondContact O-NE 3.43Å; A434-R440 VanDerWaalsContact O-NE 3.14Å
435C75.4Confident75.3Confident69 Ų69102.8 Ų102.847%0.46651%0.512SS..THydrogen-bonded Turntrans-75-2.2172.6-71.70000114.2N431 L432 A433 F442N431-C435 WeakPolarHBondContact O-CB 3.36Å; N431-C435 PolarHBondContact O-N 2.81Å; N431-C435 PolarHBondContact O-SG 2.71Å; N431-C435 VanDerWaalsContact O-SG 3.36Å; L432-C435 PolarHBondContact O-N 3.2Å; A433-C435 VanDerWaalsContact C-N 3.29Å; A433-C435 PolarHBondContact O-N 3.31Å; C435-F442 VanDerWaalsContact O-CE2 3.22Å; C435-F442 WeakPolarHBondContact O-CE2 3.16Å; C435-F442 WeakPolarHBondContact O-CZ 3.37Å
436R78Confident75.4Confident203 Ų20398.2 Ų98.277%0.76650%0.497SS*.THydrogen-bonded Turntrans-116.55.3174.1-68.9173.6178.9174.40.2113L432 A433 A434 K438L432-R436 WeakPolarHBondContact O-CG 3.41Å; L432-R436 PolarHBondContact O-N 2.98Å; A433-R436 CarbonylContact O-C 3.6Å; A433-R436 WeakPolarHBondContact O-CA 3.24Å; A433-R436 PolarHBondContact O-N 3.21Å; A434-R436 PolarHBondContact O-N 3.35Å; R436-K438 PolarHBondContact O-N 2.71Å
437D74.3Confident75.4Confident64 Ų6497 Ų9734%0.34249%0.49SS..  trans-59.5124.3177.9-176.6-5000110.2A433 A434 R439 R440A433-D437 PolarHBondContact O-N 2.93Å; A433-D437 VanDerWaalsContact O-N 3.14Å; A434-D437 PolarHBondContact O-N 3.24Å; D437-R439 PolarHBondContact O-N 2.93Å; D437-R439 VanDerWaalsContact O-N 3.09Å; D437-R439 WeakPolarHBondContact OD1-CB 3.41Å; D437-R439 WeakPolarHBondContact OD1-CG 3.49Å; D437-R439 PolarHBondContact OD1-N 3.12Å; D437-R440 WeakPolarHBondContact O-CB 3.5Å; D437-R440 PolarHBondContact O-N 3.26Å
438K74.7Confident75.5Confident201 Ų20195.8 Ų95.887%0.87449%0.486SS*.THydrogen-bonded Turntrans-59.2-20.5179.1-62.8-175.4178.8-175.10113.1R436 R440R436-K438 PolarHBondContact O-N 2.71Å; K438-R440 PolarHBondContact O-N 2.88Å
439R76.2Confident76.1Confident221 Ų22196.5 Ų96.583%0.83448%0.482SS*.THydrogen-bonded Turntrans-68.2-22.6172.8-64.2173.5173.7-178.8-1.7112.9D437 V441D437-R439 PolarHBondContact O-N 2.93Å; D437-R439 VanDerWaalsContact O-N 3.09Å; D437-R439 WeakPolarHBondContact OD1-CB 3.41Å; D437-R439 WeakPolarHBondContact OD1-CG 3.49Å; D437-R439 PolarHBondContact OD1-N 3.12Å; R439-V441 PolarHBondContact O-N 3.41Å
440R72Confident77Confident128 Ų12893.3 Ų93.348%0.48346%0.461SS..SBendtrans-82.7100.8172.5-64.2-174.7-179.6-161.73.8108.8A434 D437 K438 F442A434-R440 WeakPolarHBondContact O-CD 3.48Å; A434-R440 PolarHBondContact O-NE 3.43Å; A434-R440 VanDerWaalsContact O-NE 3.14Å; D437-R440 WeakPolarHBondContact O-CB 3.5Å; D437-R440 PolarHBondContact O-N 3.26Å; K438-R440 PolarHBondContact O-N 2.88Å; R440-F442 VanDerWaalsContact C-N 3.29Å; R440-F442 HydrophobicContact CB-CD2 4Å; R440-F442 HydrophobicContact CB-CE2 3.5Å; R440-F442 VanDerWaalsContact CB-CE2 3.5Å; R440-F442 HydrophobicContact CB-CZ 3.85Å; R440-F442 HydrophobicContact CG-CE2 4.48Å; R440-F442 WeakPolarHBondContact O-CD2 3.41Å; R440-F442 PolarHBondContact O-N 2.94Å
441V69.3Low77.5Confident104 Ų10493.6 Ų93.663%0.6346%0.46SS*.  trans-73.383.2174.5-1750000109.3R439 N443 P444R439-V441 PolarHBondContact O-N 3.41Å; V441-N443 VanDerWaalsContact C-N 3.32Å; V441-P444 VanDerWaalsContact CG1-CA 3.47Å; V441-P444 HydrophobicContact CG1-CB 3.81Å; V441-P444 HydrophobicContact CG1-CG 4.42Å
442F69.4Low77.9Confident134 Ų13493.1 Ų93.159%0.58846%0.457SS*.SBendtrans-67.3-32.3179.7-74.1-77.6000113.6C435 R440C435-F442 VanDerWaalsContact O-CE2 3.22Å; C435-F442 WeakPolarHBondContact O-CE2 3.16Å; C435-F442 WeakPolarHBondContact O-CZ 3.37Å; R440-F442 VanDerWaalsContact C-N 3.29Å; R440-F442 HydrophobicContact CB-CD2 4Å; R440-F442 HydrophobicContact CB-CE2 3.5Å; R440-F442 VanDerWaalsContact CB-CE2 3.5Å; R440-F442 HydrophobicContact CB-CZ 3.85Å; R440-F442 HydrophobicContact CG-CE2 4.48Å; R440-F442 WeakPolarHBondContact O-CD2 3.41Å; R440-F442 PolarHBondContact O-N 2.94Å
443N73.1Confident78.1Confident99 Ų9987.6 Ų87.653%0.52943%0.428SS..SBendtrans-138.5110.1169-92.9-53.7000105.1V441 K486V441-N443 VanDerWaalsContact C-N 3.32Å; N443-K486 VanDerWaalsContact OD1-CE 3.26Å; N443-K486 WeakPolarHBondContact OD1-CE 3.45Å
444P77.2Confident78.5Confident37 Ų3785.4 Ų85.424%0.2441%0.41CS..  trans-60.5157.9163.123.3-26.6000108.9V441 Y449 F482V441-P444 VanDerWaalsContact CG1-CA 3.47Å; V441-P444 HydrophobicContact CG1-CB 3.81Å; V441-P444 HydrophobicContact CG1-CG 4.42Å; P444-Y449 HydrophobicContact CB-CD2 4.4Å; P444-Y449 HydrophobicContact CG-CD2 4.1Å; P444-Y449 HydrophobicContact CG-CG 4.49Å; P444-F482 HydrophobicContact CB-CZ 4.3Å; P444-F482 HydrophobicContact CG-CD2 4.36Å; P444-F482 HydrophobicContact CG-CE1 4.39Å; P444-F482 HydrophobicContact CG-CE2 3.72Å; P444-F482 HydrophobicContact CG-CZ 3.75Å; P444-F482 VanDerWaalsContact O-CZ 3.29Å; P444-F482 WeakPolarHBondContact O-CZ 3.49Å
445D81.1Confident78.8Confident101 Ų10188.9 Ų88.954%0.5443%0.425SS..  trans-69.6150.1168.7-178.962.3000110H447 Y449D445-H447 VanDerWaalsContact C-N 3.31Å; D445-H447 PolarHBondContact O-N 3.01Å; D445-H447 PolarHBondContact OD2-N 3.03Å; D445-Y449 WeakPolarHBondContact O-CB 3.23Å; D445-Y449 PolarHBondContact O-N 3.13Å
446L82.2Confident79.2Confident36 Ų3687.4 Ų87.419%0.18841%0.411CS..Hα-helixtrans-59.1-45.6-178.8-173.373.2000110.7F450 F482 L483 K486 C487 I513L446-F450 HydrophobicContact CD1-CD2 4.02Å; L446-F450 HydrophobicContact CD1-CE2 3.8Å; L446-F450 HydrophobicContact CG-CD2 4.34Å; L446-F450 WeakPolarHBondContact O-CD2 3.47Å; L446-F482 HydrophobicContact CD1-CD1 4.38Å; L446-F482 HydrophobicContact CD1-CE1 3.97Å; L446-L483 HydrophobicContact CD1-CD2 4.16Å; L446-K486 HydrophobicContact CD1-CB 3.87Å; L446-C487 HydrophobicContact CD1-CB 4.39Å; L446-C487 HydrophobicContact CD2-CB 4.32Å; L446-I513 HydrophobicContact CD1-CD1 4.38Å; L446-I513 HydrophobicContact CD2-CD1 4.06Å; L446-I513 HydrophobicContact CD2-CG1 4.17Å; L446-I513 HydrophobicContact CG-CD1 4.19Å
447H80.4Confident79.1Confident25 Ų2579.8 Ų79.812%0.11639%0.385CS..Hα-helixtrans-74.8-48.6-175.5-161.4-97.1000111.8D445 Y449 F450 Q451 E517D445-H447 VanDerWaalsContact C-N 3.31Å; D445-H447 PolarHBondContact O-N 3.01Å; D445-H447 PolarHBondContact OD2-N 3.03Å; H447-Y449 PolarHBondContact O-N 3.05Å; H447-Y449 VanDerWaalsContact O-N 3.09Å; H447-F450 CarbonylContact O-C 3.57Å; H447-F450 PolarHBondContact O-N 3.18Å; H447-Q451 PolarHBondContact O-N 3.15Å; H447-E517 HydrophobicContact CB-CG 4.47Å; H447-E517 IonicContact CD2-OE1 2.65Å; H447-E517 IonicContact CD2-OE2 2.75Å; H447-E517 IonicContact CE1-OE1 3.91Å; H447-E517 IonicContact CE1-OE2 3.02Å; H447-E517 PolarHBondContact CE1-OE2 3.16Å; H447-E517 IonicContact CG-OE1 3.76Å; H447-E517 IonicContact CG-OE2 3.81Å; H447-E517 IonicContact ND1-OE1 2.66Å; H447-E517 PolarHBondContact ND1-OE1 3.05Å; H447-E517 IonicContact ND1-OE2 2.64Å; H447-E517 PolarHBondContact ND1-OE2 3.48Å; H447-E517 VanDerWaalsContact ND1-OE2 3.15Å; H447-E517 IonicContact NE2-OE2 2.61Å
448S80.7Confident79.3Confident83 Ų8380.1 Ų80.158%0.5839%0.387SS*.Hα-helixtrans-58.9-25.9-179.8176.20000114.1
449Y84.4Confident79.3Confident67 Ų6776.2 Ų76.226%0.26338%0.381SS..Hα-helixtrans-78.5-30.1174.2-174.1-98.9000113.4P444 D445 H447 F482P444-Y449 HydrophobicContact CB-CD2 4.4Å; P444-Y449 HydrophobicContact CG-CD2 4.1Å; P444-Y449 HydrophobicContact CG-CG 4.49Å; D445-Y449 WeakPolarHBondContact O-CB 3.23Å; D445-Y449 PolarHBondContact O-N 3.13Å; H447-Y449 PolarHBondContact O-N 3.05Å; H447-Y449 VanDerWaalsContact O-N 3.09Å; Y449-F482 AromaticContact CD1-CD1 3.52Å; Y449-F482 HydrophobicContact CD1-CD1 3.52Å; Y449-F482 AromaticContact CD1-CE1 3.86Å; Y449-F482 HydrophobicContact CD1-CE1 3.86Å; Y449-F482 HydrophobicContact CD1-CG 4.46Å; Y449-F482 HydrophobicContact CE1-CD1 4.14Å; Y449-F482 AromaticContact CG-CD1 3.9Å; Y449-F482 HydrophobicContact CG-CD1 3.9Å; Y449-F482 AromaticContact CG-CE1 3.82Å; Y449-F482 HydrophobicContact CG-CE1 3.82Å
450F87.7Confident79.2Confident0 Ų069 Ų690%037%0.369CS..Hα-helixtrans-101.1-11.7-174.1-74.8-53.6000114.2L446 H447 D452 A453 I454 W475 A479 F482 L483 L509 I513L446-F450 HydrophobicContact CD1-CD2 4.02Å; L446-F450 HydrophobicContact CD1-CE2 3.8Å; L446-F450 HydrophobicContact CG-CD2 4.34Å; L446-F450 WeakPolarHBondContact O-CD2 3.47Å; H447-F450 CarbonylContact O-C 3.57Å; H447-F450 PolarHBondContact O-N 3.18Å; F450-D452 PolarHBondContact O-N 2.93Å; F450-A453 CarbonylContact O-C 3.47Å; F450-A453 PolarHBondContact O-N 3.02Å; F450-I454 HydrophobicContact CB-CD1 3.96Å; F450-I454 HydrophobicContact CB-CG1 4.43Å; F450-I454 WeakPolarHBondContact O-CG1 3.49Å; F450-I454 PolarHBondContact O-N 3.41Å; F450-W475 AromaticContact CD1-CH2 3.76Å; F450-W475 HydrophobicContact CD1-CH2 3.76Å; F450-W475 AromaticContact CD1-CZ2 3.65Å; F450-W475 HydrophobicContact CD1-CZ2 3.65Å; F450-W475 AromaticContact CE1-CH2 3.72Å; F450-W475 HydrophobicContact CE1-CH2 3.72Å; F450-W475 AromaticContact CE1-CZ2 3.74Å; F450-W475 HydrophobicContact CE1-CZ2 3.74Å; F450-A479 HydrophobicContact CE1-CB 3.61Å; F450-A479 HydrophobicContact CZ-CB 3.93Å; F450-F482 HydrophobicContact CD2-CD1 4.42Å; F450-F482 HydrophobicContact CD2-CE1 4.42Å; F450-F482 AromaticContact CE2-CD1 3.56Å; F450-F482 HydrophobicContact CE2-CD1 3.56Å; F450-F482 AromaticContact CE2-CE1 3.95Å; F450-F482 HydrophobicContact CE2-CE1 3.95Å; F450-F482 AromaticContact CZ-CD1 3.84Å; F450-F482 HydrophobicContact CZ-CD1 3.84Å; F450-L483 HydrophobicContact CD2-CD2 4.29Å; F450-L483 HydrophobicContact CE2-CD2 3.49Å; F450-L483 VanDerWaalsContact CE2-CD2 3.49Å; F450-L483 HydrophobicContact CE2-CG 3.77Å; F450-L483 HydrophobicContact CZ-CD1 4.18Å; F450-L483 HydrophobicContact CZ-CD2 3.89Å; F450-L483 HydrophobicContact CZ-CG 3.67Å; F450-L509 HydrophobicContact CB-CD2 3.64Å; F450-L509 HydrophobicContact CD1-CD2 3.45Å; F450-L509 VanDerWaalsContact CD1-CD2 3.45Å; F450-L509 HydrophobicContact CD2-CD2 4.14Å; F450-L509 HydrophobicContact CE1-CD2 4.15Å; F450-L509 HydrophobicContact CG-CD2 3.47Å; F450-L509 VanDerWaalsContact CG-CD2 3.47Å; F450-I513 HydrophobicContact CD2-CD1 3.96Å; F450-I513 HydrophobicContact CE2-CD1 4.4Å
451Q83.5Confident79.4Confident89 Ų8968 Ų6842%0.41637%0.37SS..Hα-helixtrans-46.6-53.3-179.5-177.6174.21.100113.1H447 A453 I454 M455H447-Q451 PolarHBondContact O-N 3.15Å; Q451-A453 VanDerWaalsContact C-N 3.34Å; Q451-A453 PolarHBondContact O-N 3.07Å; Q451-I454 PolarHBondContact O-N 3.28Å; Q451-I454 VanDerWaalsContact O-N 3.16Å; Q451-M455 HydrophobicContact CG-SD 4.3Å; Q451-M455 WeakPolarHBondContact O-CG 3.31Å; Q451-M455 PolarHBondContact O-N 2.65Å
452D84.5Confident79.6Confident113 Ų11371.9 Ų71.960%0.60438%0.378SS*.Hα-helixtrans-59.8-44-179.6-61.1-14000111.6F450 I454 M455 E456F450-D452 PolarHBondContact O-N 2.93Å; D452-I454 VanDerWaalsContact C-N 3.33Å; D452-I454 PolarHBondContact O-N 2.99Å; D452-M455 PolarHBondContact O-N 3.16Å; D452-E456 WeakPolarHBondContact O-CB 3.19Å; D452-E456 VanDerWaalsContact O-CG 3.25Å; D452-E456 WeakPolarHBondContact O-CG 3.36Å; D452-E456 PolarHBondContact O-N 3.06Å
453A84.2Confident79.9Confident1 Ų167.7 Ų67.71%0.00836%0.364CS..Hα-helixtrans-71.2-26.8179.100000113.2F450 Q451 M457 W475F450-A453 CarbonylContact O-C 3.47Å; F450-A453 PolarHBondContact O-N 3.02Å; Q451-A453 VanDerWaalsContact C-N 3.34Å; Q451-A453 PolarHBondContact O-N 3.07Å; A453-M457 WeakPolarHBondContact O-CG 3.46Å; A453-M457 PolarHBondContact O-N 3.13Å; A453-W475 HydrophobicContact CB-CH2 3.46Å; A453-W475 VanDerWaalsContact CB-CH2 3.46Å; A453-W475 HydrophobicContact CB-CZ2 3.33Å; A453-W475 HydrophobicContact CB-CZ3 4.46Å
454I84Confident80.1Confident6 Ų669 Ų693%0.03137%0.367CS..Hα-helixtrans-72.3-41.6172.1-70.7166.3000109.8F450 Q451 D452 M457 D458 L509 I513 Q514F450-I454 HydrophobicContact CB-CD1 3.96Å; F450-I454 HydrophobicContact CB-CG1 4.43Å; F450-I454 WeakPolarHBondContact O-CG1 3.49Å; F450-I454 PolarHBondContact O-N 3.41Å; Q451-I454 PolarHBondContact O-N 3.28Å; Q451-I454 VanDerWaalsContact O-N 3.16Å; D452-I454 VanDerWaalsContact C-N 3.33Å; D452-I454 PolarHBondContact O-N 2.99Å; I454-M457 WeakPolarHBondContact O-CB 3.39Å; I454-M457 PolarHBondContact O-N 2.92Å; I454-D458 PolarHBondContact O-N 3.3Å; I454-L509 HydrophobicContact CD1-CD2 4.43Å; I454-L509 HydrophobicContact CG1-CB 4.13Å; I454-L509 HydrophobicContact CG1-CD2 4.13Å; I454-I513 HydrophobicContact CD1-CB 4.41Å; I454-I513 HydrophobicContact CD1-CG2 3.75Å; I454-Q514 HydrophobicContact CG2-CB 4.09Å; I454-Q514 HydrophobicContact CG2-CG 3.9Å
455M83.2Confident80.1Confident85 Ų8574.1 Ų74.142%0.41939%0.387SS..Hα-helixtrans-66.7-42.8174.6-68.6-177.167.300112.1Q451 D452 M457 D458 E461Q451-M455 HydrophobicContact CG-SD 4.3Å; Q451-M455 WeakPolarHBondContact O-CG 3.31Å; Q451-M455 PolarHBondContact O-N 2.65Å; D452-M455 PolarHBondContact O-N 3.16Å; M455-M457 PolarHBondContact O-N 2.73Å; M455-M457 VanDerWaalsContact O-N 3.1Å; M455-D458 WeakPolarHBondContact O-CB 3.28Å; M455-D458 PolarHBondContact O-N 3.02Å; M455-E461 WeakPolarHBondContact O-CG 3.31Å
456E83.8Confident79.9Confident38 Ų3876.9 Ų76.918%0.17840%0.397CS..THydrogen-bonded Turntrans-60.3-18.3172.8-72.6170.8177.500113.7D452 V463 K468 S469D452-E456 WeakPolarHBondContact O-CB 3.19Å; D452-E456 VanDerWaalsContact O-CG 3.25Å; D452-E456 WeakPolarHBondContact O-CG 3.36Å; D452-E456 PolarHBondContact O-N 3.06Å; E456-V463 HydrophobicContact CG-CG1 4.41Å; E456-V463 HydrophobicContact CG-CG2 4.32Å; E456-K468 HydrophobicContact CB-CG 4.49Å; E456-K468 WeakPolarHBondContact O-CD 3.42Å; E456-K468 WeakPolarHBondContact O-CE 3.44Å; E456-K468 PolarHBondContact O-NZ 3.34Å; E456-S469 PolarHBondContact OE1-OG 3.46Å; E456-S469 WeakPolarHBondContact OE2-CB 3.37Å; E456-S469 PolarHBondContact OE2-N 3.33Å; E456-S469 PolarHBondContact OE2-OG 3.4Å
457M76.2Confident79.9Confident43 Ų4382 Ų8221%0.21242%0.415CS..THydrogen-bonded Turntrans-86.4-22.1174-80.3-169.773.200113.8A453 I454 M455 P459 I470 S506 L509 T510A453-M457 WeakPolarHBondContact O-CG 3.46Å; A453-M457 PolarHBondContact O-N 3.13Å; I454-M457 WeakPolarHBondContact O-CB 3.39Å; I454-M457 PolarHBondContact O-N 2.92Å; M455-M457 PolarHBondContact O-N 2.73Å; M455-M457 VanDerWaalsContact O-N 3.1Å; M457-P459 WeakPolarHBondContact O-CD 3.26Å; M457-I470 HydrophobicContact CG-CD1 3.66Å; M457-I470 HydrophobicContact SD-CD1 3.35Å; M457-I470 WeakPolarHBondContact SD-CD1 3.43Å; M457-S506 VanDerWaalsContact CE-CB 3.43Å; M457-L509 HydrophobicContact SD-CB 4.11Å; M457-L509 HydrophobicContact SD-CD1 4.3Å; M457-T510 HydrophobicContact CE-CG2 3.37Å; M457-T510 HydrophobicContact SD-CG2 3.89Å
458D77Confident80Confident72 Ų7283 Ų8339%0.38542%0.419SS..SBendtrans-67.2125.1178.6-168-29.9000110.2I454 M455 A460 E461I454-D458 PolarHBondContact O-N 3.3Å; M455-D458 WeakPolarHBondContact O-CB 3.28Å; M455-D458 PolarHBondContact O-N 3.02Å; D458-A460 PolarHBondContact O-N 2.83Å; D458-A460 VanDerWaalsContact OD1-CB 3.27Å; D458-A460 WeakPolarHBondContact OD1-CB 3.19Å; D458-A460 PolarHBondContact OD1-N 3.05Å; D458-E461 PolarHBondContact O-N 2.85Å
459P74.4Confident80.2Confident118 Ų11879.7 Ų79.777%0.76640%0.396SS*.G310 helixtrans-53-21.6172.4-27.336.1000115M457M457-P459 WeakPolarHBondContact O-CD 3.26Å
460A76Confident80.2Confident69 Ų6977.2 Ų77.257%0.5739%0.387SS*.G310 helixtrans-68.2-35.3178.700000114.1D458 K462D458-A460 PolarHBondContact O-N 2.83Å; D458-A460 VanDerWaalsContact OD1-CB 3.27Å; D458-A460 WeakPolarHBondContact OD1-CB 3.19Å; D458-A460 PolarHBondContact OD1-N 3.05Å; A460-K462 VanDerWaalsContact C-N 3.27Å; A460-K462 PolarHBondContact O-N 3.27Å
461E74.4Confident80Confident107 Ų10780.5 Ų80.550%0.540%0.404SS..G310 helixtrans-77.7-8.3-174-72.6-64.3154.500113.7M455 D458 V463M455-E461 WeakPolarHBondContact O-CG 3.31Å; D458-E461 PolarHBondContact O-N 2.85Å; E461-V463 HydrophobicContact CB-CG2 4.15Å; E461-V463 PolarHBondContact O-N 3.43Å
462K75.1Confident80.1Confident186 Ų18680.8 Ų80.881%0.80940%0.404SS*.  trans53.226.9175.5-60.7178.8-176.6174.60115.3A460 E464A460-K462 VanDerWaalsContact C-N 3.27Å; A460-K462 PolarHBondContact O-N 3.27Å; K462-E464 PolarHBondContact O-N 3.49Å
463V74.3Confident80.2Confident47 Ų4782.1 Ų82.129%0.28541%0.411SS..  trans-70.4120.1174.8-176.70000109.5E456 E461 K468E456-V463 HydrophobicContact CG-CG1 4.41Å; E456-V463 HydrophobicContact CG-CG2 4.32Å; E461-V463 HydrophobicContact CB-CG2 4.15Å; E461-V463 PolarHBondContact O-N 3.43Å; V463-K468 HydrophobicContact CB-CG 4.49Å; V463-K468 HydrophobicContact CG1-CG 3.92Å; V463-K468 WeakPolarHBondContact O-CE 3.44Å
464E77.2Confident80.4Confident127 Ų12788.7 Ų88.759%0.59344%0.442SS*.  trans-59.9143.7175.4-55178.6166.200110.4K462 E466 Y467K462-E464 PolarHBondContact O-N 3.49Å; E464-E466 PolarHBondContact O-N 3.38Å; E464-E466 VanDerWaalsContact O-N 3.13Å; E464-Y467 HydrophobicContact CB-CD2 4.09Å; E464-Y467 PolarHBondContact O-N 3.16Å; E464-Y467 WeakPolarHBondContact OE2-CE2 3.38Å
465E77.6Confident80.7Confident144 Ų14490.3 Ų90.367%0.67345%0.448SS*.G310 helixtrans-56.3-36.7-172.5-68.3-162.3144.100113Y467 K468 N471E465-Y467 PolarHBondContact O-N 2.84Å; E465-K468 PolarHBondContact O-N 2.78Å; E465-N471 PolarHBondContact O-ND2 3.08Å
466E77.5Confident81Confident159 Ų15986.5 Ų86.574%0.74343%0.429SS*.G310 helixtrans-59.3-28.5-179.8-59.1-172-177.800113.3E464E464-E466 PolarHBondContact O-N 3.38Å; E464-E466 VanDerWaalsContact O-N 3.13Å
467Y81.5Confident81.2Confident144 Ų14492.1 Ų92.157%0.56545%0.449SS*.G310 helixtrans-93.6-14.7-176.8-64.8-58000114.6E464 E465 S469 K472E464-Y467 HydrophobicContact CB-CD2 4.09Å; E464-Y467 PolarHBondContact O-N 3.16Å; E464-Y467 WeakPolarHBondContact OE2-CE2 3.38Å; E465-Y467 PolarHBondContact O-N 2.84Å; Y467-S469 PolarHBondContact O-N 3.34Å; Y467-K472 VanDerWaalsContact O-CE 3.31Å; Y467-K472 WeakPolarHBondContact O-CE 3.1Å; Y467-K472 PolarHBondContact O-NZ 3.17Å
468K82.9Confident81.7Confident45 Ų4596.7 Ų96.720%0.19646%0.464CS..  trans-59.7133.8179.5-61.5-172.7-178.5-167.90111.1E456 V463 E465 I470 N471E456-K468 HydrophobicContact CB-CG 4.49Å; E456-K468 WeakPolarHBondContact O-CD 3.42Å; E456-K468 WeakPolarHBondContact O-CE 3.44Å; E456-K468 PolarHBondContact O-NZ 3.34Å; V463-K468 HydrophobicContact CB-CG 4.49Å; V463-K468 HydrophobicContact CG1-CG 3.92Å; V463-K468 WeakPolarHBondContact O-CE 3.44Å; E465-K468 PolarHBondContact O-N 2.78Å; K468-I470 PolarHBondContact O-N 2.68Å; K468-I470 VanDerWaalsContact O-N 3.15Å; K468-N471 PolarHBondContact O-N 3.08Å
469S84.3Confident82.2Confident13 Ų1393.2 Ų93.29%0.09145%0.446CS..G310 helixtrans-61.2-28.3-174.3-66.30000113.1E456 Y467 N471 K472 W475E456-S469 PolarHBondContact OE1-OG 3.46Å; E456-S469 WeakPolarHBondContact OE2-CB 3.37Å; E456-S469 PolarHBondContact OE2-N 3.33Å; E456-S469 PolarHBondContact OE2-OG 3.4Å; Y467-S469 PolarHBondContact O-N 3.34Å; S469-N471 PolarHBondContact O-N 3.06Å; S469-K472 WeakPolarHBondContact O-CB 3.49Å; S469-K472 PolarHBondContact O-N 2.92Å; S469-K472 VanDerWaalsContact O-N 3.07Å; S469-W475 WeakPolarHBondContact O-CB 3.49Å
470I84.6Confident82.9Confident15 Ų1588.9 Ų88.98%0.07742%0.416CS..G310 helixtrans-61.8-27.1173.7-60.7169.6000112.7M457 K468 W475 S476 K502 L505 L509M457-I470 HydrophobicContact CG-CD1 3.66Å; M457-I470 HydrophobicContact SD-CD1 3.35Å; M457-I470 WeakPolarHBondContact SD-CD1 3.43Å; K468-I470 PolarHBondContact O-N 2.68Å; K468-I470 VanDerWaalsContact O-N 3.15Å; I470-W475 HydrophobicContact CB-CZ3 4.42Å; I470-W475 HydrophobicContact CG1-CH2 4.27Å; I470-W475 HydrophobicContact CG1-CZ3 3.78Å; I470-S476 PolarHBondContact O-OG 3.49Å; I470-K502 HydrophobicContact CG2-CB 3.59Å; I470-L505 HydrophobicContact CG2-CB 4.13Å; I470-L505 HydrophobicContact CG2-CD1 4.48Å; I470-L509 HydrophobicContact CD1-CD1 3.7Å; I470-L509 HydrophobicContact CG1-CD1 4.02Å
471N83.5Confident83.4Confident69 Ų6992.5 Ų92.537%0.36942%0.415SS..G310 helixtrans-87.6-3.6177.2-72.7-27.2000113.4E465 K468 S469E465-N471 PolarHBondContact O-ND2 3.08Å; K468-N471 PolarHBondContact O-N 3.08Å; S469-N471 PolarHBondContact O-N 3.06Å
472K87.2Confident84Confident95 Ų9588.5 Ų88.541%0.41340%0.396SS..  trans-90.7108.5173.6-61.4169.1-166.6144.40109.1Y467 S469 E474 W475 S476Y467-K472 VanDerWaalsContact O-CE 3.31Å; Y467-K472 WeakPolarHBondContact O-CE 3.1Å; Y467-K472 PolarHBondContact O-NZ 3.17Å; S469-K472 WeakPolarHBondContact O-CB 3.49Å; S469-K472 PolarHBondContact O-N 2.92Å; S469-K472 VanDerWaalsContact O-N 3.07Å; K472-E474 VanDerWaalsContact C-N 3.25Å; K472-E474 PolarHBondContact O-N 3.08Å; K472-E474 VanDerWaalsContact O-N 3.15Å; K472-W475 HydrophobicContact CB-CB 4.05Å; K472-W475 WeakPolarHBondContact O-CA 3.23Å; K472-W475 WeakPolarHBondContact O-CB 2.82Å; K472-W475 PolarHBondContact O-N 3.26Å; K472-S476 PolarHBondContact O-N 3.11Å
473D86.5Confident84.5Confident142 Ų14279.7 Ų79.776%0.75936%0.357SS*.Hα-helixtrans-50.9-41.7-177.5-74.4-25.1000113.5W475 S476 W477D473-W475 VanDerWaalsContact C-N 3.34Å; D473-W475 PolarHBondContact O-N 2.61Å; D473-S476 PolarHBondContact O-N 3.41Å; D473-W477 WeakPolarHBondContact O-CB 3.38Å; D473-W477 PolarHBondContact O-N 2.87Å
474E88.5Confident85.1Confident139 Ų13979.3 Ų79.365%0.6536%0.357SS*.Hα-helixtrans-59.7-41.3175.9-72.8-164.8-148.100113.4K472 R478K472-E474 VanDerWaalsContact C-N 3.25Å; K472-E474 PolarHBondContact O-N 3.08Å; K472-E474 VanDerWaalsContact O-N 3.15Å; E474-R478 VanDerWaalsContact O-CG 3.25Å; E474-R478 WeakPolarHBondContact O-CG 3.06Å; E474-R478 PolarHBondContact O-N 2.96Å; E474-R478 IonicContact OE2-NH2 3.18Å; E474-R478 PolarHBondContact OE2-NH2 3.31Å
475W90.1Very high85.4Confident40 Ų4083.3 Ų83.315%0.15237%0.366CS..Hα-helixtrans-72.4-47.3179.7-177.396.2000109.7F450 A453 S469 I470 K472 D473 W477 R478 A479 L505 L509F450-W475 AromaticContact CD1-CH2 3.76Å; F450-W475 HydrophobicContact CD1-CH2 3.76Å; F450-W475 AromaticContact CD1-CZ2 3.65Å; F450-W475 HydrophobicContact CD1-CZ2 3.65Å; F450-W475 AromaticContact CE1-CH2 3.72Å; F450-W475 HydrophobicContact CE1-CH2 3.72Å; F450-W475 AromaticContact CE1-CZ2 3.74Å; F450-W475 HydrophobicContact CE1-CZ2 3.74Å; A453-W475 HydrophobicContact CB-CH2 3.46Å; A453-W475 VanDerWaalsContact CB-CH2 3.46Å; A453-W475 HydrophobicContact CB-CZ2 3.33Å; A453-W475 HydrophobicContact CB-CZ3 4.46Å; S469-W475 WeakPolarHBondContact O-CB 3.49Å; I470-W475 HydrophobicContact CB-CZ3 4.42Å; I470-W475 HydrophobicContact CG1-CH2 4.27Å; I470-W475 HydrophobicContact CG1-CZ3 3.78Å; K472-W475 HydrophobicContact CB-CB 4.05Å; K472-W475 WeakPolarHBondContact O-CA 3.23Å; K472-W475 WeakPolarHBondContact O-CB 2.82Å; K472-W475 PolarHBondContact O-N 3.26Å; D473-W475 VanDerWaalsContact C-N 3.34Å; D473-W475 PolarHBondContact O-N 2.61Å; W475-W477 VanDerWaalsContact C-N 3.28Å; W475-W477 PolarHBondContact O-N 3.25Å; W475-R478 CarbonylContact O-C 3.52Å; W475-R478 PolarHBondContact O-N 3.29Å; W475-A479 HydrophobicContact CD2-CB 4.39Å; W475-A479 HydrophobicContact CE3-CB 3.99Å; W475-A479 HydrophobicContact CH2-CB 3.99Å; W475-A479 HydrophobicContact CZ2-CB 4.38Å; W475-A479 HydrophobicContact CZ3-CB 3.78Å; W475-A479 WeakPolarHBondContact O-CB 3.22Å; W475-A479 PolarHBondContact O-N 3.05Å; W475-L505 HydrophobicContact CZ3-CD1 4.19Å; W475-L509 HydrophobicContact CH2-CD1 4.1Å
476S88.8Confident85.6Confident5 Ų580.6 Ų80.64%0.03535%0.352CS..Hα-helixtrans-57.6-38.7177.6-76.10000112.5I470 K472 D473 A479 L480 L505I470-S476 PolarHBondContact O-OG 3.49Å; K472-S476 PolarHBondContact O-N 3.11Å; D473-S476 PolarHBondContact O-N 3.41Å; S476-A479 PolarHBondContact O-N 3.23Å; S476-L480 WeakPolarHBondContact O-CB 3.19Å; S476-L480 VanDerWaalsContact O-CG 3.26Å; S476-L480 WeakPolarHBondContact O-CG 3.45Å; S476-L480 PolarHBondContact O-N 3.39Å; S476-L505 VanDerWaalsContact OG-CD1 3.26Å; S476-L505 WeakPolarHBondContact OG-CD1 3.33Å
477W87.1Confident85.8Confident155 Ų15573.4 Ų73.459%0.58732%0.32SS*.Hα-helixtrans-67.6-38.5174.9-164.492.7000113.3D473 W475 R481D473-W477 WeakPolarHBondContact O-CB 3.38Å; D473-W477 PolarHBondContact O-N 2.87Å; W475-W477 VanDerWaalsContact C-N 3.28Å; W475-W477 PolarHBondContact O-N 3.25Å; W477-R481 PolarHBondContact O-N 3Å
478R87.4Confident85.7Confident139 Ų13971.7 Ų71.753%0.52533%0.326SS..Hα-helixtrans-67.9-44.5174.1-67.3171.1-160-163.710.7111E474 W475 R481 F482E474-R478 VanDerWaalsContact O-CG 3.25Å; E474-R478 WeakPolarHBondContact O-CG 3.06Å; E474-R478 PolarHBondContact O-N 2.96Å; E474-R478 IonicContact OE2-NH2 3.18Å; E474-R478 PolarHBondContact OE2-NH2 3.31Å; W475-R478 CarbonylContact O-C 3.52Å; W475-R478 PolarHBondContact O-N 3.29Å; R478-R481 PolarHBondContact O-N 3.23Å; R478-F482 WeakPolarHBondContact O-CB 3.48Å; R478-F482 PolarHBondContact O-N 2.94Å
479A87.9Confident85.6Confident0 Ų072 Ų720%033%0.328CS..Hα-helixtrans-55.8-51.3175.900000111.7F450 W475 S476 R481 F482 L483 L505F450-A479 HydrophobicContact CE1-CB 3.61Å; F450-A479 HydrophobicContact CZ-CB 3.93Å; W475-A479 HydrophobicContact CD2-CB 4.39Å; W475-A479 HydrophobicContact CE3-CB 3.99Å; W475-A479 HydrophobicContact CH2-CB 3.99Å; W475-A479 HydrophobicContact CZ2-CB 4.38Å; W475-A479 HydrophobicContact CZ3-CB 3.78Å; W475-A479 WeakPolarHBondContact O-CB 3.22Å; W475-A479 PolarHBondContact O-N 3.05Å; S476-A479 PolarHBondContact O-N 3.23Å; A479-R481 PolarHBondContact O-N 2.86Å; A479-F482 PolarHBondContact O-N 3.04Å; A479-F482 VanDerWaalsContact O-N 3.12Å; A479-L483 WeakPolarHBondContact O-CB 3.36Å; A479-L483 VanDerWaalsContact O-CG 3.31Å; A479-L483 WeakPolarHBondContact O-CG 3.41Å; A479-L483 PolarHBondContact O-N 3.36Å; A479-L505 HydrophobicContact CB-CD1 4.39Å; A479-L505 HydrophobicContact CB-CD2 4.13Å
480L87.9Confident85.5Confident27 Ų2771.9 Ų71.914%0.14133%0.326CS..Hα-helixtrans-57.3-44.3176.4-72.5178.6000112.7S476 F482 S484 F490 W494 V501 Y504 L505S476-L480 WeakPolarHBondContact O-CB 3.19Å; S476-L480 VanDerWaalsContact O-CG 3.26Å; S476-L480 WeakPolarHBondContact O-CG 3.45Å; S476-L480 PolarHBondContact O-N 3.39Å; L480-F482 VanDerWaalsContact C-N 3.27Å; L480-F482 PolarHBondContact O-N 3.18Å; L480-S484 WeakPolarHBondContact O-CB 3.32Å; L480-S484 PolarHBondContact O-N 3.36Å; L480-S484 PolarHBondContact O-OG 2.99Å; L480-F490 HydrophobicContact CD2-CE2 4.24Å; L480-F490 VanDerWaalsContact O-CE2 3.27Å; L480-F490 WeakPolarHBondContact O-CE2 3.44Å; L480-W494 HydrophobicContact CD2-CH2 4.04Å; L480-W494 HydrophobicContact CD2-CZ3 3.82Å; L480-V501 HydrophobicContact CD1-CG1 3.66Å; L480-V501 HydrophobicContact CD1-CG2 4.23Å; L480-V501 HydrophobicContact CD2-CG1 4.29Å; L480-V501 HydrophobicContact CG-CG1 4.09Å; L480-Y504 HydrophobicContact CD2-CD1 3.77Å; L480-Y504 HydrophobicContact CD2-CE1 3.53Å; L480-L505 HydrophobicContact CD2-CD2 3.88Å; L480-L505 HydrophobicContact CD2-CG 4.37Å; L480-L505 HydrophobicContact CG-CD2 4.36Å
481R87Confident85.2Confident145 Ų14579.1 Ų79.155%0.54735%0.354SS..Hα-helixtrans-68.9-23.8178.1-75.6-170.5179.9-84.91.9114W477 R478 A479 S484W477-R481 PolarHBondContact O-N 3Å; R478-R481 PolarHBondContact O-N 3.23Å; A479-R481 PolarHBondContact O-N 2.86Å; R481-S484 PolarHBondContact O-OG 2.96Å
482F86.8Confident84.7Confident23 Ų2380.2 Ų80.210%0.10136%0.359CS..Hα-helixtrans-84.9-47.1177.3-177.8-124.8000110.9P444 L446 Y449 F450 R478 A479 L480 S484 R485 K486P444-F482 HydrophobicContact CB-CZ 4.3Å; P444-F482 HydrophobicContact CG-CD2 4.36Å; P444-F482 HydrophobicContact CG-CE1 4.39Å; P444-F482 HydrophobicContact CG-CE2 3.72Å; P444-F482 HydrophobicContact CG-CZ 3.75Å; P444-F482 VanDerWaalsContact O-CZ 3.29Å; P444-F482 WeakPolarHBondContact O-CZ 3.49Å; L446-F482 HydrophobicContact CD1-CD1 4.38Å; L446-F482 HydrophobicContact CD1-CE1 3.97Å; Y449-F482 AromaticContact CD1-CD1 3.52Å; Y449-F482 HydrophobicContact CD1-CD1 3.52Å; Y449-F482 AromaticContact CD1-CE1 3.86Å; Y449-F482 HydrophobicContact CD1-CE1 3.86Å; Y449-F482 HydrophobicContact CD1-CG 4.46Å; Y449-F482 HydrophobicContact CE1-CD1 4.14Å; Y449-F482 AromaticContact CG-CD1 3.9Å; Y449-F482 HydrophobicContact CG-CD1 3.9Å; Y449-F482 AromaticContact CG-CE1 3.82Å; Y449-F482 HydrophobicContact CG-CE1 3.82Å; F450-F482 HydrophobicContact CD2-CD1 4.42Å; F450-F482 HydrophobicContact CD2-CE1 4.42Å; F450-F482 AromaticContact CE2-CD1 3.56Å; F450-F482 HydrophobicContact CE2-CD1 3.56Å; F450-F482 AromaticContact CE2-CE1 3.95Å; F450-F482 HydrophobicContact CE2-CE1 3.95Å; F450-F482 AromaticContact CZ-CD1 3.84Å; F450-F482 HydrophobicContact CZ-CD1 3.84Å; R478-F482 WeakPolarHBondContact O-CB 3.48Å; R478-F482 PolarHBondContact O-N 2.94Å; A479-F482 PolarHBondContact O-N 3.04Å; A479-F482 VanDerWaalsContact O-N 3.12Å; L480-F482 VanDerWaalsContact C-N 3.27Å; L480-F482 PolarHBondContact O-N 3.18Å; F482-S484 VanDerWaalsContact C-N 3.3Å; F482-S484 PolarHBondContact O-N 3.08Å; F482-R485 PolarHBondContact O-N 3.25Å; F482-R485 VanDerWaalsContact O-N 3.16Å; F482-K486 HydrophobicContact CD2-CG 4.21Å; F482-K486 HydrophobicContact CE2-CG 3.76Å; F482-K486 HydrophobicContact CZ-CG 4.23Å; F482-K486 PolarHBondContact O-N 3.09Å
483L86.8Confident83.7Confident0 Ų080.8 Ų80.80%037%0.366CS..Hα-helixtrans-54.8-44.1173.5-69.9166.4000111.8L446 F450 A479 R485 K486 C487 F490 L505 I508 I513L446-L483 HydrophobicContact CD1-CD2 4.16Å; F450-L483 HydrophobicContact CD2-CD2 4.29Å; F450-L483 HydrophobicContact CE2-CD2 3.49Å; F450-L483 VanDerWaalsContact CE2-CD2 3.49Å; F450-L483 HydrophobicContact CE2-CG 3.77Å; F450-L483 HydrophobicContact CZ-CD1 4.18Å; F450-L483 HydrophobicContact CZ-CD2 3.89Å; F450-L483 HydrophobicContact CZ-CG 3.67Å; A479-L483 WeakPolarHBondContact O-CB 3.36Å; A479-L483 VanDerWaalsContact O-CG 3.31Å; A479-L483 WeakPolarHBondContact O-CG 3.41Å; A479-L483 PolarHBondContact O-N 3.36Å; L483-R485 PolarHBondContact O-N 2.84Å; L483-K486 PolarHBondContact O-N 3.48Å; L483-K486 VanDerWaalsContact O-N 3.13Å; L483-C487 HydrophobicContact CB-CB 4.31Å; L483-C487 HydrophobicContact CD2-CB 3.8Å; L483-C487 WeakPolarHBondContact O-CB 3.26Å; L483-C487 PolarHBondContact O-N 3.15Å; L483-F490 HydrophobicContact CB-CD2 3.49Å; L483-F490 VanDerWaalsContact CB-CD2 3.49Å; L483-F490 HydrophobicContact CB-CE2 4Å; L483-F490 HydrophobicContact CB-CG 4.45Å; L483-L505 HydrophobicContact CD1-CD2 3.45Å; L483-L505 VanDerWaalsContact CD1-CD2 3.45Å; L483-I508 HydrophobicContact CD1-CG2 4.36Å; L483-I508 HydrophobicContact CD2-CG2 3.96Å; L483-I513 HydrophobicContact CD2-CD1 3.63Å
484S85.6Confident82.7Confident40 Ų4079.7 Ų79.728%0.2835%0.351SS..Hα-helixtrans-59.8-18.8-178.573.40000115.3L480 R481 F482 F490L480-S484 WeakPolarHBondContact O-CB 3.32Å; L480-S484 PolarHBondContact O-N 3.36Å; L480-S484 PolarHBondContact O-OG 2.99Å; R481-S484 PolarHBondContact O-OG 2.96Å; F482-S484 VanDerWaalsContact C-N 3.3Å; F482-S484 PolarHBondContact O-N 3.08Å; S484-F490 VanDerWaalsContact CA-CG 3.49Å
485R83.5Confident81.6Confident210 Ų21075.3 Ų75.379%0.79233%0.332SS*.Hα-helixtrans-107.5-12.9-178.4-56.3-173.373.9154.35.8113.7F482 L483F482-R485 PolarHBondContact O-N 3.25Å; F482-R485 VanDerWaalsContact O-N 3.16Å; L483-R485 PolarHBondContact O-N 2.84Å
486K81.6Confident80.3Confident87 Ų8776.8 Ų76.838%0.37835%0.347SS..Hα-helixtrans-132-31.1-167.4-73.9-68.8-166.7165.60114.7N443 L446 F482 L483 P488N443-K486 VanDerWaalsContact OD1-CE 3.26Å; N443-K486 WeakPolarHBondContact OD1-CE 3.45Å; L446-K486 HydrophobicContact CD1-CB 3.87Å; F482-K486 HydrophobicContact CD2-CG 4.21Å; F482-K486 HydrophobicContact CE2-CG 3.76Å; F482-K486 HydrophobicContact CZ-CG 4.23Å; F482-K486 PolarHBondContact O-N 3.09Å; L483-K486 PolarHBondContact O-N 3.48Å; L483-K486 VanDerWaalsContact O-N 3.13Å; K486-P488 WeakPolarHBondContact O-CD 3.31Å
487C81.5Confident79.2Confident9 Ų983.2 Ų83.26%0.06139%0.389CS..  trans-94.2114.3-179.9-176.40000109.8L446 L483 H489 F490L446-C487 HydrophobicContact CD1-CB 4.39Å; L446-C487 HydrophobicContact CD2-CB 4.32Å; L483-C487 HydrophobicContact CB-CB 4.31Å; L483-C487 HydrophobicContact CD2-CB 3.8Å; L483-C487 WeakPolarHBondContact O-CB 3.26Å; L483-C487 PolarHBondContact O-N 3.15Å; C487-H489 PolarHBondContact O-N 2.85Å; C487-H489 VanDerWaalsContact O-N 3.15Å; C487-F490 HydrophobicContact CB-CB 4.46Å; C487-F490 VanDerWaalsContact O-CB 3.32Å; C487-F490 WeakPolarHBondContact O-CB 3.1Å; C487-F490 PolarHBondContact O-N 3.01Å; C487-F490 VanDerWaalsContact O-N 3.09Å
488P80.4Confident78.3Confident107 Ų10779.6 Ų79.670%0.69540%0.4SS*.G310 helixtrans-58.9-27.3176.6-2334.3000112.7K486 F490K486-P488 WeakPolarHBondContact O-CD 3.31Å; P488-F490 VanDerWaalsContact C-N 3.32Å; P488-F490 PolarHBondContact O-N 2.84Å
489H80Confident77.7Confident53 Ų5380 Ų8025%0.24540%0.401CS..G310 helixtrans-83.7-0.2-179-53-53.7000114C487 Y491 I492 K512C487-H489 PolarHBondContact O-N 2.85Å; C487-H489 VanDerWaalsContact O-N 3.15Å; H489-Y491 VanDerWaalsContact C-N 3.29Å; H489-Y491 PolarHBondContact O-N 3.13Å; H489-I492 HydrophobicContact CB-CD1 4.43Å; H489-I492 WeakPolarHBondContact O-CB 3.45Å; H489-I492 PolarHBondContact O-N 3.29Å; H489-I492 VanDerWaalsContact O-O 3.09Å; H489-K512 HydrophobicContact CB-CB 4.46Å; H489-K512 HydrophobicContact CB-CG 4.22Å
490F81.9Confident77.3Confident10 Ų1082.8 Ų82.84%0.04442%0.419CS..G310 helixtrans-55.6-40.9-178.9177.5-98.3000113.5L480 L483 S484 C487 P488 I492 W494 Y504L480-F490 HydrophobicContact CD2-CE2 4.24Å; L480-F490 VanDerWaalsContact O-CE2 3.27Å; L480-F490 WeakPolarHBondContact O-CE2 3.44Å; L483-F490 HydrophobicContact CB-CD2 3.49Å; L483-F490 VanDerWaalsContact CB-CD2 3.49Å; L483-F490 HydrophobicContact CB-CE2 4Å; L483-F490 HydrophobicContact CB-CG 4.45Å; S484-F490 VanDerWaalsContact CA-CG 3.49Å; C487-F490 HydrophobicContact CB-CB 4.46Å; C487-F490 VanDerWaalsContact O-CB 3.32Å; C487-F490 WeakPolarHBondContact O-CB 3.1Å; C487-F490 PolarHBondContact O-N 3.01Å; C487-F490 VanDerWaalsContact O-N 3.09Å; P488-F490 VanDerWaalsContact C-N 3.32Å; P488-F490 PolarHBondContact O-N 2.84Å; F490-I492 VanDerWaalsContact C-N 3.28Å; F490-I492 PolarHBondContact O-N 3.34Å; F490-W494 HydrophobicContact CD1-CE3 4.28Å; F490-W494 HydrophobicContact CD2-CE3 4.35Å; F490-W494 HydrophobicContact CD2-CZ3 4.15Å; F490-W494 HydrophobicContact CE1-CD2 4.31Å; F490-W494 AromaticContact CE1-CE3 3.74Å; F490-W494 HydrophobicContact CE1-CE3 3.74Å; F490-W494 HydrophobicContact CE1-CH2 4.24Å; F490-W494 AromaticContact CE1-CZ3 3.74Å; F490-W494 HydrophobicContact CE1-CZ3 3.74Å; F490-W494 AromaticContact CE2-CE3 3.87Å; F490-W494 HydrophobicContact CE2-CE3 3.87Å; F490-W494 HydrophobicContact CE2-CH2 4.06Å; F490-W494 AromaticContact CE2-CZ3 3.29Å; F490-W494 HydrophobicContact CE2-CZ3 3.29Å; F490-W494 HydrophobicContact CZ-CD2 4.39Å; F490-W494 AromaticContact CZ-CE3 3.54Å; F490-W494 HydrophobicContact CZ-CE3 3.54Å; F490-W494 AromaticContact CZ-CH2 3.48Å; F490-W494 HydrophobicContact CZ-CH2 3.48Å; F490-W494 VanDerWaalsContact CZ-CH2 3.48Å; F490-W494 HydrophobicContact CZ-CZ2 4.32Å; F490-W494 AromaticContact CZ-CZ3 3.03Å; F490-W494 HydrophobicContact CZ-CZ3 3.03Å; F490-Y504 WeakPolarHBondContact CA-OH 3.25Å; F490-Y504 HydrophobicContact CD2-CE1 4.47Å; F490-Y504 WeakPolarHBondContact CD2-OH 3.38Å; F490-Y504 HydrophobicContact CE2-CE1 4.39Å; F490-Y504 PolarHBondContact O-OH 3.24Å
491Y80.1Confident77Confident166 Ų16684.1 Ų84.165%0.65143%0.429SS*.G310 helixtrans-81.9-7.1179-64-71.8000113.6H489H489-Y491 VanDerWaalsContact C-N 3.29Å; H489-Y491 PolarHBondContact O-N 3.13Å
492I71.7Confident76.9Confident93 Ų9381.9 Ų81.948%0.47742%0.423SS..THydrogen-bonded Turntrans-88.6123.3175.7-51.2-178.1000107.1H489 F490 W494H489-I492 HydrophobicContact CB-CD1 4.43Å; H489-I492 WeakPolarHBondContact O-CB 3.45Å; H489-I492 PolarHBondContact O-N 3.29Å; H489-I492 VanDerWaalsContact O-O 3.09Å; F490-I492 VanDerWaalsContact C-N 3.28Å; F490-I492 PolarHBondContact O-N 3.34Å; I492-W494 PolarHBondContact O-N 2.98Å
493N65.9Low76.7Confident107 Ų10783.5 Ų83.557%0.57243%0.433SS*.THydrogen-bonded Turntrans62.521.5-168-55.3-13.7000114.7N495 Y504N493-N495 PolarHBondContact O-N 3.41Å; N493-Y504 VanDerWaalsContact O-CD2 3.3Å; N493-Y504 WeakPolarHBondContact O-CD2 3.49Å
494W65.5Low76.6Confident118 Ų11884 Ų8445%0.44744%0.435SS..  trans-55137.1174.8-178.9-104.9000111.8L480 F490 I492 P496 Y504L480-W494 HydrophobicContact CD2-CH2 4.04Å; L480-W494 HydrophobicContact CD2-CZ3 3.82Å; F490-W494 HydrophobicContact CD1-CE3 4.28Å; F490-W494 HydrophobicContact CD2-CE3 4.35Å; F490-W494 HydrophobicContact CD2-CZ3 4.15Å; F490-W494 HydrophobicContact CE1-CD2 4.31Å; F490-W494 AromaticContact CE1-CE3 3.74Å; F490-W494 HydrophobicContact CE1-CE3 3.74Å; F490-W494 HydrophobicContact CE1-CH2 4.24Å; F490-W494 AromaticContact CE1-CZ3 3.74Å; F490-W494 HydrophobicContact CE1-CZ3 3.74Å; F490-W494 AromaticContact CE2-CE3 3.87Å; F490-W494 HydrophobicContact CE2-CE3 3.87Å; F490-W494 HydrophobicContact CE2-CH2 4.06Å; F490-W494 AromaticContact CE2-CZ3 3.29Å; F490-W494 HydrophobicContact CE2-CZ3 3.29Å; F490-W494 HydrophobicContact CZ-CD2 4.39Å; F490-W494 AromaticContact CZ-CE3 3.54Å; F490-W494 HydrophobicContact CZ-CE3 3.54Å; F490-W494 AromaticContact CZ-CH2 3.48Å; F490-W494 HydrophobicContact CZ-CH2 3.48Å; F490-W494 VanDerWaalsContact CZ-CH2 3.48Å; F490-W494 HydrophobicContact CZ-CZ2 4.32Å; F490-W494 AromaticContact CZ-CZ3 3.03Å; F490-W494 HydrophobicContact CZ-CZ3 3.03Å; I492-W494 PolarHBondContact O-N 2.98Å; W494-P496 VanDerWaalsContact O-CD 3.29Å; W494-P496 WeakPolarHBondContact O-CD 3.32Å; W494-P496 VanDerWaalsContact O-N 3.15Å; W494-Y504 AromaticContact CE3-CE1 3.98Å; W494-Y504 HydrophobicContact CE3-CE1 3.98Å; W494-Y504 AromaticContact CE3-CE2 3.86Å; W494-Y504 HydrophobicContact CE3-CE2 3.86Å; W494-Y504 AromaticContact CE3-CZ 3.47Å; W494-Y504 VanDerWaalsContact CE3-CZ 3.47Å; W494-Y504 HydrophobicContact CZ3-CD1 4.41Å; W494-Y504 AromaticContact CZ3-CE1 3.68Å; W494-Y504 HydrophobicContact CZ3-CE1 3.68Å; W494-Y504 HydrophobicContact CZ3-CE2 4.41Å; W494-Y504 AromaticContact CZ3-CZ 3.67Å
495N65.4Low76.5Confident47 Ų4782.1 Ų82.125%0.25142%0.422SS..  trans-46.5107-158.2-160.518.7000115.2N493 R499N493-N495 PolarHBondContact O-N 3.41Å; N495-R499 PolarHBondContact ND2-O 3.44Å; N495-R499 WeakPolarHBondContact OD1-CB 3.24Å; N495-R499 PolarHBondContact OD1-O 3Å
496P64.5Low76.5Confident72 Ų7273.7 Ų73.747%0.46839%0.394SS..  trans-61.2141.7165.8-1831.5000109.7W494 G498 R499W494-P496 VanDerWaalsContact O-CD 3.29Å; W494-P496 WeakPolarHBondContact O-CD 3.32Å; W494-P496 VanDerWaalsContact O-N 3.15Å; P496-G498 PolarHBondContact O-N 3.12Å; P496-R499 PolarHBondContact O-N 3.3Å
497P65.8Low76.6Confident140 Ų14071.4 Ų71.491%0.90939%0.388SS*.THydrogen-bonded Turntrans-58113.6-177.423.5-33.3000110.8
498G68.1Low76.7Confident79 Ų7971.1 Ų71.181%0.81439%0.386SS*.THydrogen-bonded Turntrans123-18.6179.500000115.7P496P496-G498 PolarHBondContact O-N 3.12Å
499R73.7Confident76.8Confident146 Ų14666 Ų6655%0.55135%0.353SS*.  trans-79.2135.9171-90.3-176.6-173-105.15110.8N495 P496N495-R499 PolarHBondContact ND2-O 3.44Å; N495-R499 WeakPolarHBondContact OD1-CB 3.24Å; N495-R499 PolarHBondContact OD1-O 3Å; P496-R499 PolarHBondContact O-N 3.3Å
500P80.7Confident76.8Confident59 Ų5966 Ų6638%0.38336%0.356SS..  trans-75.1145.9175.932.9-34.9000110.1K502 D503P500-K502 HydrophobicContact CB-CG 4.03Å; P500-K502 HydrophobicContact CG-CG 4.11Å; P500-K502 PolarHBondContact O-N 2.95Å; P500-K502 VanDerWaalsContact O-N 3.11Å; P500-D503 WeakPolarHBondContact CD-OD2 3.26Å; P500-D503 HydrophobicContact CG-CB 4.27Å; P500-D503 VanDerWaalsContact CG-CG 3.49Å; P500-D503 WeakPolarHBondContact CG-OD2 3.35Å; P500-D503 PolarHBondContact O-N 3.38Å
501V81.5Confident76.7Confident56 Ų5670.2 Ų70.234%0.33938%0.376SS..Hα-helixtrans-54.7-35.3-174.7167.70000112.8L480 D503 Y504 L505L480-V501 HydrophobicContact CD1-CG1 3.66Å; L480-V501 HydrophobicContact CD1-CG2 4.23Å; L480-V501 HydrophobicContact CD2-CG1 4.29Å; L480-V501 HydrophobicContact CG-CG1 4.09Å; V501-D503 VanDerWaalsContact C-N 3.3Å; V501-D503 PolarHBondContact O-N 3.47Å; V501-Y504 PolarHBondContact O-N 2.78Å; V501-L505 HydrophobicContact CG1-CD1 3.77Å; V501-L505 HydrophobicContact CG1-CG 4.14Å; V501-L505 PolarHBondContact O-N 3.29Å
502K83.6Confident76.5Confident98 Ų9865.7 Ų65.743%0.42636%0.36SS..Hα-helixtrans-56.1-39.1177.155166-166.1173.60113.7I470 P500 Y504 L505 S506I470-K502 HydrophobicContact CG2-CB 3.59Å; P500-K502 HydrophobicContact CB-CG 4.03Å; P500-K502 HydrophobicContact CG-CG 4.11Å; P500-K502 PolarHBondContact O-N 2.95Å; P500-K502 VanDerWaalsContact O-N 3.11Å; K502-Y504 VanDerWaalsContact C-N 3.33Å; K502-L505 PolarHBondContact O-N 3.04Å; K502-S506 WeakPolarHBondContact O-CB 3.26Å; K502-S506 PolarHBondContact O-N 3.19Å; K502-S506 PolarHBondContact O-OG 3.02Å
503D82.8Confident76.7Confident57 Ų5761.7 Ų61.731%0.30534%0.339SS..Hα-helixtrans-73.7-28.9-178.1-63.64.4000111.6P500 V501 S506 V507P500-D503 WeakPolarHBondContact CD-OD2 3.26Å; P500-D503 HydrophobicContact CG-CB 4.27Å; P500-D503 VanDerWaalsContact CG-CG 3.49Å; P500-D503 WeakPolarHBondContact CG-OD2 3.35Å; P500-D503 PolarHBondContact O-N 3.38Å; V501-D503 VanDerWaalsContact C-N 3.3Å; V501-D503 PolarHBondContact O-N 3.47Å; D503-S506 WeakPolarHBondContact CA-OG 3.39Å; D503-S506 PolarHBondContact O-OG 3.34Å; D503-S506 VanDerWaalsContact O-OG 3.05Å; D503-V507 VanDerWaalsContact O-CG2 3.24Å; D503-V507 WeakPolarHBondContact O-CG2 3.5Å; D503-V507 PolarHBondContact O-N 3.11Å
504Y85.3Confident77.2Confident11 Ų1159.4 Ų59.44%0.04333%0.325CS..Hα-helixtrans-75.8-42.2174.6164.9-91.6000111.1L480 F490 N493 W494 V501 K502 I508L480-Y504 HydrophobicContact CD2-CD1 3.77Å; L480-Y504 HydrophobicContact CD2-CE1 3.53Å; F490-Y504 WeakPolarHBondContact CA-OH 3.25Å; F490-Y504 HydrophobicContact CD2-CE1 4.47Å; F490-Y504 WeakPolarHBondContact CD2-OH 3.38Å; F490-Y504 HydrophobicContact CE2-CE1 4.39Å; F490-Y504 PolarHBondContact O-OH 3.24Å; N493-Y504 VanDerWaalsContact O-CD2 3.3Å; N493-Y504 WeakPolarHBondContact O-CD2 3.49Å; W494-Y504 AromaticContact CE3-CE1 3.98Å; W494-Y504 HydrophobicContact CE3-CE1 3.98Å; W494-Y504 AromaticContact CE3-CE2 3.86Å; W494-Y504 HydrophobicContact CE3-CE2 3.86Å; W494-Y504 AromaticContact CE3-CZ 3.47Å; W494-Y504 VanDerWaalsContact CE3-CZ 3.47Å; W494-Y504 HydrophobicContact CZ3-CD1 4.41Å; W494-Y504 AromaticContact CZ3-CE1 3.68Å; W494-Y504 HydrophobicContact CZ3-CE1 3.68Å; W494-Y504 HydrophobicContact CZ3-CE2 4.41Å; W494-Y504 AromaticContact CZ3-CZ 3.67Å; V501-Y504 PolarHBondContact O-N 2.78Å; K502-Y504 VanDerWaalsContact C-N 3.33Å; Y504-I508 HydrophobicContact CD2-CD1 4.36Å; Y504-I508 HydrophobicContact CE1-CD1 3.9Å; Y504-I508 HydrophobicContact CE2-CD1 3.51Å; Y504-I508 HydrophobicContact CE2-CG1 4.29Å; Y504-I508 PolarHBondContact O-N 2.93Å; Y504-I508 VanDerWaalsContact O-N 3.12Å; Y504-I508 WeakPolarHBondContact OH-CD1 3.4Å
505L83.8Confident77.5Confident0 Ų055.5 Ų55.50%032%0.316CS..Hα-helixtrans-64.8-44.6176.3-71.1174.9000111.5I470 W475 S476 A479 L480 L483 V501 K502 V507 I508 L509I470-L505 HydrophobicContact CG2-CB 4.13Å; I470-L505 HydrophobicContact CG2-CD1 4.48Å; W475-L505 HydrophobicContact CZ3-CD1 4.19Å; S476-L505 VanDerWaalsContact OG-CD1 3.26Å; S476-L505 WeakPolarHBondContact OG-CD1 3.33Å; A479-L505 HydrophobicContact CB-CD1 4.39Å; A479-L505 HydrophobicContact CB-CD2 4.13Å; L480-L505 HydrophobicContact CD2-CD2 3.88Å; L480-L505 HydrophobicContact CD2-CG 4.37Å; L480-L505 HydrophobicContact CG-CD2 4.36Å; L483-L505 HydrophobicContact CD1-CD2 3.45Å; L483-L505 VanDerWaalsContact CD1-CD2 3.45Å; V501-L505 HydrophobicContact CG1-CD1 3.77Å; V501-L505 HydrophobicContact CG1-CG 4.14Å; V501-L505 PolarHBondContact O-N 3.29Å; K502-L505 PolarHBondContact O-N 3.04Å; L505-V507 VanDerWaalsContact C-N 3.35Å; L505-V507 PolarHBondContact O-N 3.28Å; L505-I508 PolarHBondContact O-N 2.74Å; L505-L509 HydrophobicContact CB-CD1 4.36Å; L505-L509 WeakPolarHBondContact O-CB 3.21Å; L505-L509 WeakPolarHBondContact O-CD1 3.19Å; L505-L509 WeakPolarHBondContact O-CG 3.49Å; L505-L509 PolarHBondContact O-N 3.43Å
506S82.9Confident77.8Confident32 Ų3257.6 Ų57.622%0.22432%0.324CS..Hα-helixtrans-59.9-42.5179.161.90000112.8M457 K502 D503 T510M457-S506 VanDerWaalsContact CE-CB 3.43Å; K502-S506 WeakPolarHBondContact O-CB 3.26Å; K502-S506 PolarHBondContact O-N 3.19Å; K502-S506 PolarHBondContact O-OG 3.02Å; D503-S506 WeakPolarHBondContact CA-OG 3.39Å; D503-S506 PolarHBondContact O-OG 3.34Å; D503-S506 VanDerWaalsContact O-OG 3.05Å; S506-T510 PolarHBondContact O-N 3.43Å; S506-T510 PolarHBondContact O-OG1 2.96Å
507V83.5Confident77.8Confident39 Ų3958.7 Ų58.724%0.23632%0.323CS..Hα-helixtrans-62.8-46.7175.1166.30000111.6D503 L505 E511D503-V507 VanDerWaalsContact O-CG2 3.24Å; D503-V507 WeakPolarHBondContact O-CG2 3.5Å; D503-V507 PolarHBondContact O-N 3.11Å; L505-V507 VanDerWaalsContact C-N 3.35Å; L505-V507 PolarHBondContact O-N 3.28Å; V507-E511 HydrophobicContact CG1-CG 4.36Å; V507-E511 WeakPolarHBondContact O-CB 3.02Å; V507-E511 WeakPolarHBondContact O-CG 3.44Å; V507-E511 PolarHBondContact O-N 3.15Å
508I83.7Confident77.9Confident4 Ų457.6 Ų57.62%0.02131%0.309CS..Hα-helixtrans-69.3-40.1-178.6-75.7-168.9000112.5L483 Y504 L505 K512 I513L483-I508 HydrophobicContact CD1-CG2 4.36Å; L483-I508 HydrophobicContact CD2-CG2 3.96Å; Y504-I508 HydrophobicContact CD2-CD1 4.36Å; Y504-I508 HydrophobicContact CE1-CD1 3.9Å; Y504-I508 HydrophobicContact CE2-CD1 3.51Å; Y504-I508 HydrophobicContact CE2-CG1 4.29Å; Y504-I508 PolarHBondContact O-N 2.93Å; Y504-I508 VanDerWaalsContact O-N 3.12Å; Y504-I508 WeakPolarHBondContact OH-CD1 3.4Å; L505-I508 PolarHBondContact O-N 2.74Å; I508-K512 WeakPolarHBondContact O-CB 3.27Å; I508-K512 PolarHBondContact O-N 2.9Å; I508-I513 HydrophobicContact CG2-CD1 4.01Å; I508-I513 HydrophobicContact CG2-CG1 4.36Å; I508-I513 PolarHBondContact O-N 3.23Å; I508-I513 VanDerWaalsContact O-N 3.11Å
509L82.6Confident77.9Confident0 Ų060.6 Ų60.60%030%0.3CS..Iπ-helixtrans-64.4-48-178.1-69.5164.6000111.2F450 I454 M457 I470 W475 L505 I513 Q514F450-L509 HydrophobicContact CB-CD2 3.64Å; F450-L509 HydrophobicContact CD1-CD2 3.45Å; F450-L509 VanDerWaalsContact CD1-CD2 3.45Å; F450-L509 HydrophobicContact CD2-CD2 4.14Å; F450-L509 HydrophobicContact CE1-CD2 4.15Å; F450-L509 HydrophobicContact CG-CD2 3.47Å; F450-L509 VanDerWaalsContact CG-CD2 3.47Å; I454-L509 HydrophobicContact CD1-CD2 4.43Å; I454-L509 HydrophobicContact CG1-CB 4.13Å; I454-L509 HydrophobicContact CG1-CD2 4.13Å; M457-L509 HydrophobicContact SD-CB 4.11Å; M457-L509 HydrophobicContact SD-CD1 4.3Å; I470-L509 HydrophobicContact CD1-CD1 3.7Å; I470-L509 HydrophobicContact CG1-CD1 4.02Å; W475-L509 HydrophobicContact CH2-CD1 4.1Å; L505-L509 HydrophobicContact CB-CD1 4.36Å; L505-L509 WeakPolarHBondContact O-CB 3.21Å; L505-L509 WeakPolarHBondContact O-CD1 3.19Å; L505-L509 WeakPolarHBondContact O-CG 3.49Å; L505-L509 PolarHBondContact O-N 3.43Å; L509-I513 HydrophobicContact CD2-CD1 4.24Å; L509-I513 PolarHBondContact O-N 2.95Å; L509-Q514 PolarHBondContact O-N 2.67Å
510T79.6Confident77.3Confident51 Ų5160.5 Ų60.531%0.31330%0.304SS..Iπ-helixtrans-80-52.3-17954.10000113.1M457 S506 K512M457-T510 HydrophobicContact CE-CG2 3.37Å; M457-T510 HydrophobicContact SD-CG2 3.89Å; S506-T510 PolarHBondContact O-N 3.43Å; S506-T510 PolarHBondContact O-OG1 2.96Å; T510-K512 PolarHBondContact O-N 2.91Å
511E79.3Confident75.9Confident99 Ų9961.2 Ų61.246%0.46332%0.322SS..Iπ-helixtrans-74.8-27.6-172.4-61.8-172-176.400114.1V507 S515V507-E511 HydrophobicContact CG1-CG 4.36Å; V507-E511 WeakPolarHBondContact O-CB 3.02Å; V507-E511 WeakPolarHBondContact O-CG 3.44Å; V507-E511 PolarHBondContact O-N 3.15Å; E511-S515 PolarHBondContact O-OG 3.46Å
512K76.5Confident74.3Confident71 Ų7163.7 Ų63.731%0.30934%0.341SS..Iπ-helixtrans-118.3-36-169.9-54.2-59169.6-149.60114.7H489 I508 T510 E516H489-K512 HydrophobicContact CB-CB 4.46Å; H489-K512 HydrophobicContact CB-CG 4.22Å; I508-K512 WeakPolarHBondContact O-CB 3.27Å; I508-K512 PolarHBondContact O-N 2.9Å; T510-K512 PolarHBondContact O-N 2.91Å; K512-E516 WeakPolarHBondContact O-CG 3.41Å
513I75.1Confident72.2Confident9 Ų963.5 Ų63.55%0.04635%0.349CS..Iπ-helixtrans-90.2-55.8-177.4-64.9177.3000110.5L446 F450 I454 L483 I508 L509 S515 E516 E517L446-I513 HydrophobicContact CD1-CD1 4.38Å; L446-I513 HydrophobicContact CD2-CD1 4.06Å; L446-I513 HydrophobicContact CD2-CG1 4.17Å; L446-I513 HydrophobicContact CG-CD1 4.19Å; F450-I513 HydrophobicContact CD2-CD1 3.96Å; F450-I513 HydrophobicContact CE2-CD1 4.4Å; I454-I513 HydrophobicContact CD1-CB 4.41Å; I454-I513 HydrophobicContact CD1-CG2 3.75Å; L483-I513 HydrophobicContact CD2-CD1 3.63Å; I508-I513 HydrophobicContact CG2-CD1 4.01Å; I508-I513 HydrophobicContact CG2-CG1 4.36Å; I508-I513 PolarHBondContact O-N 3.23Å; I508-I513 VanDerWaalsContact O-N 3.11Å; L509-I513 HydrophobicContact CD2-CD1 4.24Å; L509-I513 PolarHBondContact O-N 2.95Å; I513-S515 PolarHBondContact O-N 3.37Å; I513-E516 PolarHBondContact O-N 3.01Å; I513-E517 PolarHBondContact O-N 3.18Å
514Q76.3Confident70Confident60 Ų6068.7 Ų68.728%0.2838%0.376SS..Iπ-helixtrans-61-44.5178.8-168169.415.900111.9I454 L509 E516 E517 D518I454-Q514 HydrophobicContact CG2-CB 4.09Å; I454-Q514 HydrophobicContact CG2-CG 3.9Å; L509-Q514 PolarHBondContact O-N 2.67Å; Q514-E516 PolarHBondContact O-N 3.18Å; Q514-E517 PolarHBondContact O-N 2.84Å; Q514-D518 PolarHBondContact O-N 3.4Å
515S73.3Confident67.5Low36 Ų3675.6 Ų75.625%0.25241%0.414SS..Hα-helixtrans-66.7-8.9179.389.20000115.5E511 I513 K519E511-S515 PolarHBondContact O-OG 3.46Å; I513-S515 PolarHBondContact O-N 3.37Å; S515-K519 WeakPolarHBondContact O-CD 3.1Å; S515-K519 VanDerWaalsContact O-CE 3.28Å; S515-K519 WeakPolarHBondContact O-CE 3.28Å; S515-K519 WeakPolarHBondContact O-CG 3.3Å; S515-K519 PolarHBondContact O-NZ 3.5Å
516E70.9Confident65.4Low90 Ų9081.3 Ų81.342%0.42145%0.449SS..Hα-helixtrans-92.7-28.7169.1-82.2-158.2168.900113.3K512 I513 Q514 K520K512-E516 WeakPolarHBondContact O-CG 3.41Å; I513-E516 PolarHBondContact O-N 3.01Å; Q514-E516 PolarHBondContact O-N 3.18Å; E516-K520 PolarHBondContact O-N 3.19Å
517E65.1Low63.1Low96 Ų9687.1 Ų87.145%0.44948%0.477SS..Hα-helixtrans-73.2-42.2174-92.3-139.4163.400112.3H447 I513 Q514 K519 K520 G521H447-E517 HydrophobicContact CB-CG 4.47Å; H447-E517 IonicContact CD2-OE1 2.65Å; H447-E517 IonicContact CD2-OE2 2.75Å; H447-E517 IonicContact CE1-OE1 3.91Å; H447-E517 IonicContact CE1-OE2 3.02Å; H447-E517 PolarHBondContact CE1-OE2 3.16Å; H447-E517 IonicContact CG-OE1 3.76Å; H447-E517 IonicContact CG-OE2 3.81Å; H447-E517 IonicContact ND1-OE1 2.66Å; H447-E517 PolarHBondContact ND1-OE1 3.05Å; H447-E517 IonicContact ND1-OE2 2.64Å; H447-E517 PolarHBondContact ND1-OE2 3.48Å; H447-E517 VanDerWaalsContact ND1-OE2 3.15Å; H447-E517 IonicContact NE2-OE2 2.61Å; I513-E517 PolarHBondContact O-N 3.18Å; Q514-E517 PolarHBondContact O-N 2.84Å; E517-K519 PolarHBondContact O-N 2.66Å; E517-K520 PolarHBondContact O-N 3.05Å; E517-G521 PolarHBondContact O-N 3.42Å
518D66.5Low60.8Low116 Ų11692.1 Ų92.162%0.6250%0.502SS*.Hα-helixtrans-54.9-29.7176.3-65.9-34.4000112.1Q514Q514-D518 PolarHBondContact O-N 3.4Å
519K68.4Low58.2Low143 Ų14396.7 Ų96.762%0.62253%0.534SS*.Hα-helixtrans-79.7-28.5175.9-66.9174.5-171.1125.90113.7S515 E517S515-K519 WeakPolarHBondContact O-CD 3.1Å; S515-K519 VanDerWaalsContact O-CE 3.28Å; S515-K519 WeakPolarHBondContact O-CE 3.28Å; S515-K519 WeakPolarHBondContact O-CG 3.3Å; S515-K519 PolarHBondContact O-NZ 3.5Å; E517-K519 PolarHBondContact O-N 2.66Å
520K61.1Low55.8Low144 Ų144102 Ų10263%0.62656%0.562SS**Hα-helixtrans-83.8-31.8179.1-76171.6-178.5156.30112.6E516 E517 S522E516-K520 PolarHBondContact O-N 3.19Å; E517-K520 PolarHBondContact O-N 3.05Å; K520-S522 VanDerWaalsContact C-N 3.26Å; K520-S522 PolarHBondContact O-N 3.26Å
521G51Low53.7Low74 Ų74106.3 Ų106.376%0.76358%0.584SS**THydrogen-bonded Turntrans-66.9-20.4-179.200000115.2E517E517-G521 PolarHBondContact O-N 3.42Å
522S48.4Very low51.6Low107 Ų107111.2 Ų111.275%0.74860%0.598SS**THydrogen-bonded Turntrans-87.2-8.4-173.2-144.40000114.8K520K520-S522 VanDerWaalsContact C-N 3.26Å; K520-S522 PolarHBondContact O-N 3.26Å
523T40.4Very low49.5Very low95 Ų95119.8 Ų119.858%0.58363%0.628SS**  trans-13697.4-174.853.30000112.3
524N36.3Very low47.5Very low165 Ų165122.9 Ų122.988%0.88266%0.662SS**  trans170.291.3134.2-83.7-17.4000111.8
525N32.6Very low45.5Very low157 Ų157125.2 Ų125.284%0.8469%0.685SS**  trans-86.9169147.1-89.5-44.8000108.6
526V39.6Very low43.6Very low120 Ų120131 Ų13173%0.72771%0.713SS**  trans80.6108.5165.2-1750000116.3
527N34.8Very low41.9Very low153 Ų153130 Ų13082%0.81873%0.727SS**  trans55.1160.4137.5-62.26.2000120
528D34.2Very low40.5Very low144 Ų144131.3 Ų131.377%0.7774%0.742SS**  cis-164.5-172.5-20.6179.120.3000105.3
529C30.6Very low39.1Very low101 Ų101132.4 Ų132.468%0.68275%0.753SS**  trans-72.6170.1-167.360.10000118.7
530D31.4Very low37.6Very low110 Ų110129.2 Ų129.259%0.58876%0.761SS**  trans87.1150.9148.4-147.412.5000120.9R532D530-R532 IonicContact OD2-NE 2.69Å
531N36.3Very low36.4Very low143 Ų143129.6 Ų129.677%0.76577%0.77SS**  trans111.2101.8-177.7-64.4-58.6000113.9
532R33.9Very low35.7Very low201 Ų201130.7 Ų130.776%0.75877%0.765SS**  83.4124.850.9-66-179.5-178.5-150.70.3115.8D530D530-R532 IonicContact OD2-NE 2.69Å
533R33.8Very low35.1Very low251 Ų251133.5 Ų133.595%0.94777%0.77SS**  trans85.7140.1142.1-99.7179.2172.2-178.4-3.4123.3
534G33.5Very low34.8Very low74 Ų74134.7 Ų134.776%0.76378%0.78SS**  trans86.3117.4155.600000115.2
535S33.4Very low34.6Very low110 Ų110132.6 Ų132.677%0.76978%0.778SS**  cis95.2129.829-137.60000116
536D33.6Very low34.6Very low157 Ų157134.8 Ų134.884%0.8478%0.78SS**  trans83.2146.3154.8-62.414000122.9
537G34.6Very low34.1Very low68 Ų68138 Ų13870%0.70179%0.787SS**  trans115.766.3165.200000116.7
538T35.8Very low33.8Very low125 Ų125136.7 Ų136.777%0.76779%0.787SS**  66.4118.476.7-36.30000116.3
539T37.7Very low33.5Very low139 Ų139137.3 Ų137.385%0.85378%0.782SS**  156.2129.1126.449.30000114.7
540G36.2Very low33.5Very low76 Ų76140.6 Ų140.678%0.78479%0.792SS**  trans88.9132144.400000118.2
541D36Very low33.3Very low152 Ų152142.3 Ų142.381%0.81380%0.797SS**  cis-153.6159.71.2-140.4-33000113.2
542S36.7Very low33.1Very low96 Ų96144.2 Ų144.267%0.67180%0.801SS**  trans-27.7148.4169.9-45.30000117.8
543I35.5Very low32.8Very low167 Ų167139.2 Ų139.286%0.85680%0.803SS**  -158149.474.2-81.7159.4000111.3
544P34.6Very low32.8Very low120 Ų120133.2 Ų133.278%0.77979%0.794SS**  trans-123.8158.7-163.541-27.5000117.7
545S33.2Very low32.4Very low120 Ų120137.5 Ų137.584%0.83980%0.8SS**  trans-152.3114.8153.950.10000114.6
546K31.3Very low32.4Very low204 Ų204136.5 Ų136.589%0.88779%0.792SS**  trans-13.5138.4163.2-61.2164.7174.4174.80116.7
547Q29.9Very low32.3Very low188 Ų188134.4 Ų134.488%0.87979%0.786SS**  -156.3164.764.7-87-178.2-52.900114.1
548P29Very low32Very low125 Ų125139.5 Ų139.581%0.81280%0.795SS**  trans-107.2175-162.340.6-33.7000116.8
549K26.7Very low31.9Very low156 Ų156140.6 Ų140.668%0.67880%0.795SS**  trans-57.9156.2-178.9-62.4-179.8173.7-169.60115.6E551K549-E551 HydrophobicContact CD-CG 4.41Å; K549-E551 WeakPolarHBondContact CE-OE1 3.29Å; K549-E551 IonicContact NZ-OE1 2.96Å; K549-E551 PolarHBondContact NZ-OE1 3.03Å; K549-E551 IonicContact NZ-OE2 3.84Å
550L30.1Very low31.4Very low170 Ų170140.8 Ų140.889%0.8979%0.791SS**  trans-122.3128.7131.1-119.992.2000109.1
551E27.8Very low31.1Very low147 Ų147142.1 Ų142.169%0.68779%0.788SS**  trans-111.2127.8161.8-78.5167.4-165.500106.3K549K549-E551 HydrophobicContact CD-CG 4.41Å; K549-E551 WeakPolarHBondContact CE-OE1 3.29Å; K549-E551 IonicContact NZ-OE1 2.96Å; K549-E551 PolarHBondContact NZ-OE1 3.03Å; K549-E551 IonicContact NZ-OE2 3.84Å
552E32Very low30.9Very low182 Ų182140.2 Ų140.285%0.8578%0.782SS**  trans-149.5127.8158.3-135.9171.1-147.300109.8
553A28.1Very low30.7Very low97 Ų97141.9 Ų141.980%0.80279%0.788SS**  trans-119.2123.4178.800000108.3
554V32.4Very low30.4Very low124 Ų124143.4 Ų143.475%0.75279%0.789SS**  trans-136.7104.8161.9-170.60000108.5
555D26.7Very low30.4Very low165 Ų165143 Ų14388%0.88279%0.789SS**  trans-102.6113.5164-166.67.8000106.2
556S31.9Very low30.1Very low88 Ų88143.1 Ų143.162%0.61579%0.789SS**  trans-143.180-177.365.80000111.8
557T33Very low30.2Very low114 Ų114139 Ų13970%0.69979%0.786SS**  trans26.7116130.839.90000118.4L559T557-L559 PolarHBondContact O-N 2.9Å
558I28.3Very low30.3Very low175 Ų175137.8 Ų137.890%0.89779%0.785SS**  trans-53.2120.4156.5-62.9162.2000109
559L32.4Very low30.4Very low147 Ų147137 Ų13777%0.7778%0.782SS**  trans-122.7104.8171.8-108.9163.4000109.8T557 S561T557-L559 PolarHBondContact O-N 2.9Å; L559-S561 PolarHBondContact O-N 2.6Å
560D27.4Very low30.7Very low143 Ų143141.2 Ų141.277%0.76579%0.794SS**  trans-73.8111.4174.6-165.71.5000108.9
561S31.2Very low30.5Very low104 Ų104140 Ų14073%0.72779%0.793SS**  trans-104.984.7-175.651.70000111.3L559 V563L559-S561 PolarHBondContact O-N 2.6Å; S561-V563 PolarHBondContact O-N 2.91Å; S561-V563 VanDerWaalsContact O-N 3.12Å
562T31.2Very low30.8Very low113 Ų113144.8 Ų144.869%0.69381%0.805SS**  trans-68.1107174.3-38.10000110.9K564T562-K564 PolarHBondContact O-N 3.21Å; T562-K564 VanDerWaalsContact O-N 3.09Å
563V32.2Very low30.7Very low130 Ų130141.1 Ų141.179%0.78880%0.8SS**  trans-72.6101.7171.31790000109.4S561 S565S561-V563 PolarHBondContact O-N 2.91Å; S561-V563 VanDerWaalsContact O-N 3.12Å; V563-S565 PolarHBondContact O-N 2.98Å
564K30Very low31.1Very low200 Ų200143.1 Ų143.187%0.8780%0.802SS**  trans-82.7101.8165.4-81.7-178.8174.7174.60109.7T562T562-K564 PolarHBondContact O-N 3.21Å; T562-K564 VanDerWaalsContact O-N 3.09Å
565S33.4Very low31.2Very low112 Ų112142.9 Ų142.978%0.78380%0.802SS**  trans-79.2130.8158.341.10000109.7V563V563-S565 PolarHBondContact O-N 2.98Å
566S27.9Very low31.2Very low122 Ų122140.5 Ų140.585%0.85380%0.799SS**  trans-84.2131.6-177.143.80000112
567S33.5Very low31.4Very low116 Ų116142.6 Ų142.681%0.81181%0.808SS**  trans-144.4136.8153.2560000109.7
568L31.1Very low31.5Very low164 Ų164145.4 Ų145.486%0.85981%0.811SS**  trans-73.8149.8-179.5-56.884000108.1
569S31.7Very low31.5Very low107 Ų107145.6 Ų145.675%0.74881%0.808SS**  173.1169.363.548.40000112.3
570R31.7Very low31.6Very low245 Ų245146.8 Ų146.893%0.92581%0.814SS**  trans70.1103.5165-82.5-177.7170.2179.3-2.2119.5
571T27.8Very low31.5Very low144 Ų144148.3 Ų148.388%0.88382%0.817SS**  trans-68.4149159.341.80000113.4
572R33.2Very low31.6Very low249 Ų249151.5 Ų151.594%0.9482%0.82SS**  trans-148.5135.2142.9-171.7167.2168.3175.1-5.9109.4
573S30.5Very low31.7Very low105 Ų105153.9 Ų153.973%0.73482%0.823SS**  trans-92.5162.3-170.2470000113.8
574V35.6Very low31.8Very low139 Ų139154.1 Ų154.184%0.84283%0.825SS**  trans174.4151130.1148.80000109.7
575P34.9Very low31.7Very low118 Ų118150 Ų15077%0.76682%0.821SS**  trans-117.1-177.5-149.241.4-29.9000117.7
576S26.2Very low31.7Very low115 Ų115151.8 Ų151.880%0.80483%0.827SS**  trans-48.6151.3-177.9-179.60000118.7
577T36.7Very low31.7Very low132 Ų132156.3 Ų156.381%0.8183%0.832SS**  trans-126.6129.2161.6-54.80000112.4
578K34.8Very low31.6Very low173 Ų173154.5 Ų154.575%0.75283%0.832SS**  trans-20.5130.2164.7-70.7172.5-179.2-178.60117.3
579Q28.9Very low31.5Very low179 Ų179155.7 Ų155.784%0.83683%0.833SS**  59.9118.890.8-72-175.4-18.200116.2
580L33.1Very low31.5Very low173 Ų173156.5 Ų156.591%0.90683%0.833SS**  trans-162.4143.5137.1-109.7152000109.8
581Q26.3Very low31.5Very low175 Ų175152.2 Ų152.282%0.81883%0.829SS**  trans-151.3111.5-169.4-179.9-175.917.700110
582E33.2Very low31.6Very low171 Ų171150.2 Ų150.280%0.79983%0.827SS**  trans-140.1124.9166.2-74.3-178.9157.300106.3
583H32.9Very low31.6Very low162 Ų162148.4 Ų148.475%0.7583%0.826SS**  55.2124.580.3-69-70000111.6
584T33.8Very low31.5Very low135 Ų135148.2 Ų148.283%0.82882%0.824SS**  cis-159.5168.424.8-00000112.6
585S27.7Very low31.4Very low114 Ų114153 Ų15380%0.79783%0.829SS**  trans-71.3146.7-179.8-54.60000116.1
586T33.9Very low31.4Very low149 Ų149151 Ų15191%0.91483%0.829SS**  trans-152.8142.3138.413.80000111.9
587K29Very low31.5Very low218 Ų218151.2 Ų151.295%0.94883%0.831SS**  trans-84.8143.5173.2-73.4174.8175.2174.40110.1
588G31.2Very low31.4Very low78 Ų78151 Ų15180%0.80483%0.832SS**  trans-161.5105.6166.100000111.4
589Q27.7Very low31.4Very low188 Ų188152.3 Ų152.388%0.87984%0.843SS**  trans-81.2139.6164.9-69.9171.5-61.600108.8
590T32.9Very low31.4Very low125 Ų125153.8 Ų153.877%0.76784%0.841SS**  175.5155.3118.330.80000112.8
591N32.3Very low31.6Very low155 Ų155152.4 Ų152.483%0.82984%0.84SS**  trans64.593.2155.5-63.8-12000120.1
592A28.7Very low31.8Very low101 Ų101153.3 Ų153.384%0.83584%0.836SS**  trans-80.4142.9149.300000111.1
593K32.5Very low31.8Very low211 Ų211157 Ų15792%0.91784%0.844SS**  trans-132.3136.3154.5-87.5-171.9175.5179.30109.9
594S28.7Very low31.8Very low101 Ų101159 Ų15971%0.70685%0.845SS**  trans-70.9152.8-175.9173.10000113.3
595Y34.5Very low31.7Very low241 Ų241160.6 Ų160.695%0.94585%0.849SS**  -169.7143.1125.1-92-63.8000111.1
596G33.9Very low31.9Very low75 Ų75160.3 Ų160.377%0.77384%0.842SS**  trans126.296.3164.200000116.8
597S29.5Very low31.8Very low120 Ų120161.5 Ų161.584%0.83984%0.842SS**  trans-80.1167.7-178.8-50.40000114.9
598P34.5Very low31.9Very low128 Ų128157.2 Ų157.283%0.83183%0.834SS**  trans-119.8157.5132.73.417.1000113.3
599M33.5Very low32Very low199 Ų199158.6 Ų158.698%0.9883%0.832SS**  trans-69.2161.3-176.4-89.4-161.1171.900115
600R29.9Very low32.5Very low210 Ų210157.3 Ų157.379%0.79283%0.831SS**  trans-131115.8-177.7-176.5-171.8-165.5179.87.9109.5
601T36.7Very low32.6Very low145 Ų145159.2 Ų159.289%0.8984%0.836SS**  trans-102.2138.4164.740.50000109.6
602R30.5Very low32.9Very low194 Ų194155.6 Ų155.673%0.73284%0.836SS**  trans-104.4141.2-179.8-69.3172.1169.5163.9-5.3109
603Y33.1Very low33.2Very low248 Ų248157 Ų15797%0.97383%0.833SS**  trans-120.9153.6140-102.6-96.1000108.3
604R34.5Very low33.4Very low204 Ų204154.4 Ų154.477%0.7783%0.83SS**  trans-134.4110-158.5177.6-173.1-170.71681.1109.2T606R604-T606 HydrophobicContact CG-CG2 4.26Å
605D30.3Very low33.6Very low169 Ų169155.9 Ų155.990%0.90483%0.834SS**  trans-80.8134.1165.2-64.1-42.8000109.8
606T32.3Very low33.8Very low107 Ų107149.5 Ų149.566%0.65683%0.832SS**  trans-148.9106168.542.90000108.7R604R604-T606 HydrophobicContact CG-CG2 4.26Å
607L30.9Very low33.9Very low175 Ų175152 Ų15292%0.91684%0.837SS**  trans-165.799.5164.7-109.6169.3000110
608T33Very low34.3Very low128 Ų128149.3 Ų149.379%0.78583%0.828SS**  trans-154.6135.6156.547.40000109.6
609S32.7Very low34.5Very low107 Ų107148 Ų14875%0.74882%0.823SS**  trans54.6118.1154.756.40000119.4
610D36.8Very low34.8Very low161 Ų161145 Ų14586%0.86181%0.811SS**  -151.8159.796.2-128.1-22000112.3
611D36.4Very low35.2Very low165 Ų165141.3 Ų141.388%0.88281%0.807SS**  trans-79.9158.8-173.9-70.7-58.5000114.1
612G37.6Very low35.4Very low79 Ų79141 Ų14181%0.81480%0.799SS**  trans-178.586.8175.700000114.4
613V34.8Very low35.8Very low129 Ų129135.3 Ų135.378%0.78279%0.794SS**  trans-80.4135.3174.9173.30000110.3
614D37.8Very low36.2Very low158 Ų158131.5 Ų131.585%0.84579%0.79SS**  -168.6148.4127.9-102.7-28.6000114.2
615T31.8Very low36.4Very low131 Ų131125 Ų12580%0.80479%0.787SS**  trans-99.4146.7-171.549.30000113.3
616A40Very low37Very low108 Ų108124.2 Ų124.289%0.89378%0.783SS**  trans-140.4143.6159.600000111.1
617S36.2Very low37.4Very low127 Ų127125.4 Ų125.489%0.88879%0.785SS**  trans-130.7158.5-163.654.90000113.2
618G37.2Very low37.8Very low63 Ų63124 Ų12465%0.64978%0.779SS**  trans127.5117.7166.900000112.6
619S38.2Very low38.2Very low102 Ų102121.1 Ų121.171%0.71378%0.775SS**  76.1131.573.467.20000112.1
620D39.2Very low38.5Very low136 Ų136125.2 Ų125.273%0.72778%0.782SS**  cis-168.9165.55.9-97.7-17.4000109.4
621N39.8Very low38.7Very low132 Ų132123.4 Ų123.471%0.70678%0.782SS**  trans64.4155.6149.7-63.22000119.9
622D39.3Very low38.8Very low138 Ų138123.3 Ų123.374%0.73878%0.782SS**  cis-165.1165.6-14.1-115.9-38.4000112
623A40.7Very low39.2Very low75 Ų75124.7 Ų124.762%0.6278%0.779SS**  trans69.8117.2141.800000125.1
624N40.4Very low39.9Very low167 Ų167125.5 Ų125.589%0.89378%0.777SS**  97.2118.4120.2-69.9-0.2000124.8
625G39.9Very low40.4Very low69 Ų69124 Ų12471%0.71177%0.774SS**  trans90.6149.4130.700000118.9
626D41Very low41.4Very low151 Ų151130.4 Ų130.481%0.80780%0.795SS**  cis-170159.5-14.9-103.1-23.9000109
627N40.9Very low41.5Very low133 Ų133131.6 Ų131.671%0.71179%0.79SS**  trans60.4164.8161.5-71.135.5000118.2
628D40.9Very low41.7Very low144 Ų144131.8 Ų131.877%0.7779%0.785SS**  cis-160.2162.3-23.3-84.8-25.2000106.2
629G39.8Very low42Very low69 Ų69135.6 Ų135.671%0.71179%0.793SS**  cis170.1139.4-8.200000112.8
630E39.7Very low42.2Very low192 Ų192137.6 Ų137.690%0.89780%0.797SS**  trans56.9121.2141.1-156.5172.3-123.900123.1
631S42.2Very low42.4Very low124 Ų124137.7 Ų137.787%0.86780%0.802SS**  168138.5120.7440000114.7
632D36.8Very low42.6Very low162 Ų162138.1 Ų138.187%0.86681%0.808SS**  trans-90.3175.7-178.6-81.2-53.7000114.6
633S47.1Very low42.8Very low109 Ų109138.1 Ų138.176%0.76281%0.813SS**  trans119.7149.2152.776.90000115.9
634I48.3Very low43Very low145 Ų145142.9 Ų142.974%0.74483%0.828SS**  cis-160.7147.4-12-115168.4000109.1
635T49.5Very low43.2Very low126 Ų126140.9 Ų140.977%0.77382%0.822SS**  trans30131.4160.865.30000122.9
636E52.3Low43.5Very low267 Ų267147.5 Ų147.5100%1.24883%0.832SS**  -143093.1-155170.9-139.600110.2

Retrieved 636 of 636 residues in 276.9 ms (Link to these results)

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