A0A077Z2D7_TRITR Loading...

FCH and RhoGAP domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2D7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 617 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
1M84.2Confident91.7Very high67 Ų6783.6 Ų83.633%0.3339%0.386SS..  0-53.60-67-55.2-83.700112.4E3 L4 Q5 V81 L84 T85 M88 V197M1-E3 PolarHBondContact O-N 2.93Å; M1-L4 WeakPolarHBondContact O-CB 3.3Å; M1-L4 PolarHBondContact O-N 2.95Å; M1-L4 VanDerWaalsContact O-N 3.1Å; M1-L4 HydrophobicContact SD-CD2 4.4Å; M1-Q5 PolarHBondContact O-N 3.21Å; M1-V81 HydrophobicContact CE-CG1 3.92Å; M1-V81 WeakPolarHBondContact O-CG1 3.37Å; M1-L84 HydrophobicContact CE-CB 3.91Å; M1-L84 HydrophobicContact CE-CD1 3.86Å; M1-T85 WeakPolarHBondContact CB-OG1 3.45Å; M1-M88 HydrophobicContact CG-SD 4.24Å; M1-V197 HydrophobicContact SD-CG2 4.34Å
2A87.7Confident92.1Very high54 Ų5476.9 Ų76.945%0.44636%0.356SS..Hα-helixtrans-54.8-48.5174.700000112.4L4 Q5 D6A2-L4 VanDerWaalsContact C-N 3.28Å; A2-L4 PolarHBondContact O-N 3.03Å; A2-Q5 VanDerWaalsContact O-CB 3.29Å; A2-Q5 WeakPolarHBondContact O-CB 3.31Å; A2-Q5 PolarHBondContact O-N 3.44Å; A2-D6 PolarHBondContact O-N 2.94Å
3E91.3Very high92.5Very high169 Ų16978.7 Ų78.779%0.7937%0.365SS*.Hα-helixtrans-58.3-37.3175.2-64.3175.1-179.800113.4M1 D6 F7M1-E3 PolarHBondContact O-N 2.93Å; E3-D6 PolarHBondContact O-N 2.84Å; E3-F7 VanDerWaalsContact O-CB 3.31Å; E3-F7 WeakPolarHBondContact O-CB 3.43Å; E3-F7 PolarHBondContact O-N 3.42Å
4L89.6Confident92.9Very high50 Ų5078.6 Ų78.626%0.26237%0.367SS..Hα-helixtrans-67.5-39.7176.3179.563.8000111.1M1 A2 F7 C8 V81M1-L4 WeakPolarHBondContact O-CB 3.3Å; M1-L4 PolarHBondContact O-N 2.95Å; M1-L4 VanDerWaalsContact O-N 3.1Å; M1-L4 HydrophobicContact SD-CD2 4.4Å; A2-L4 VanDerWaalsContact C-N 3.28Å; A2-L4 PolarHBondContact O-N 3.03Å; L4-F7 HydrophobicContact CD1-CD1 4.42Å; L4-F7 PolarHBondContact O-N 3.36Å; L4-C8 PolarHBondContact O-N 2.86Å; L4-C8 PolarHBondContact O-SG 3.43Å; L4-V81 HydrophobicContact CD2-CG2 4.14Å; L4-V81 HydrophobicContact CG-CG2 4.35Å
5Q90.9Very high93.1Very high24 Ų2473.7 Ų73.711%0.11234%0.344CS..Hα-helixtrans-61.9-46.4175.3-172.2-177.510.900111.1M1 A2 C8 R9 A78 V81M1-Q5 PolarHBondContact O-N 3.21Å; A2-Q5 VanDerWaalsContact O-CB 3.29Å; A2-Q5 WeakPolarHBondContact O-CB 3.31Å; A2-Q5 PolarHBondContact O-N 3.44Å; Q5-C8 PolarHBondContact O-N 3.12Å; Q5-R9 VanDerWaalsContact NE2-CZ 3.33Å; Q5-R9 WeakPolarHBondContact O-CG 3.47Å; Q5-R9 PolarHBondContact O-N 2.93Å; Q5-A78 HydrophobicContact CG-CB 4.46Å; Q5-V81 HydrophobicContact CB-CB 4.3Å; Q5-V81 HydrophobicContact CB-CG1 3.7Å; Q5-V81 HydrophobicContact CG-CG1 4.44Å
6D93Very high93.4Very high88 Ų8873 Ų7347%0.47134%0.343SS..Hα-helixtrans-66.4-39.8179.4-67.5-23.8000111.1A2 E3 R9 R10A2-D6 PolarHBondContact O-N 2.94Å; E3-D6 PolarHBondContact O-N 2.84Å; D6-R9 PolarHBondContact O-N 2.87Å; D6-R9 IonicContact OD1-NH1 2.65Å; D6-R9 PolarHBondContact OD1-NH1 3.01Å; D6-R10 WeakPolarHBondContact O-CB 3.47Å; D6-R10 PolarHBondContact O-N 3.29Å
7F93Very high93.7Very high116 Ų11676.5 Ų76.551%0.50936%0.359SS..Hα-helixtrans-56.9-49.7170.7171.8-94.9000111.8E3 L4 R9 R10 R11E3-F7 VanDerWaalsContact O-CB 3.31Å; E3-F7 WeakPolarHBondContact O-CB 3.43Å; E3-F7 PolarHBondContact O-N 3.42Å; L4-F7 HydrophobicContact CD1-CD1 4.42Å; L4-F7 PolarHBondContact O-N 3.36Å; F7-R9 PolarHBondContact O-N 3.32Å; F7-R10 PolarHBondContact O-N 3.32Å; F7-R11 VanDerWaalsContact O-CB 3.31Å; F7-R11 WeakPolarHBondContact O-CB 3.49Å; F7-R11 PolarHBondContact O-N 3.43Å
8C92.4Very high93.9Very high0 Ų078.1 Ų78.10%036%0.362CS..Hα-helixtrans-62.6-42.1-180-700000112.2L4 Q5 R11 A12 V77 A78L4-C8 PolarHBondContact O-N 2.86Å; L4-C8 PolarHBondContact O-SG 3.43Å; Q5-C8 PolarHBondContact O-N 3.12Å; C8-R11 PolarHBondContact O-N 3.43Å; C8-A12 WeakPolarHBondContact O-CB 3.45Å; C8-A12 PolarHBondContact O-N 3.29Å; C8-V77 HydrophobicContact CB-CG1 4.25Å; C8-V77 WeakPolarHBondContact SG-CG1 3.43Å; C8-A78 HydrophobicContact CB-CB 4.3Å
9R94.9Very high94.2Very high113 Ų11374.4 Ų74.443%0.42635%0.346SS..Hα-helixtrans-62.4-49.3175.1-74.6175.6176153-8.9111.7Q5 D6 F7 R11 A12 E13 A78Q5-R9 VanDerWaalsContact NE2-CZ 3.33Å; Q5-R9 WeakPolarHBondContact O-CG 3.47Å; Q5-R9 PolarHBondContact O-N 2.93Å; D6-R9 PolarHBondContact O-N 2.87Å; D6-R9 IonicContact OD1-NH1 2.65Å; D6-R9 PolarHBondContact OD1-NH1 3.01Å; F7-R9 PolarHBondContact O-N 3.32Å; R9-R11 VanDerWaalsContact C-N 3.3Å; R9-R11 PolarHBondContact O-N 3.26Å; R9-A12 WeakPolarHBondContact O-CB 3.39Å; R9-A12 PolarHBondContact O-N 3.04Å; R9-A12 VanDerWaalsContact O-N 3.11Å; R9-E13 WeakPolarHBondContact O-CG 3.36Å; R9-E13 PolarHBondContact O-N 2.94Å; R9-A78 HydrophobicContact CG-CB 4.09Å
10R96.5Very high94.4Very high151 Ų15177.1 Ų77.157%0.5736%0.356SS*.Hα-helixtrans-64.5-37.9-179.3-172.356.2176171.42.9111.6D6 F7 E13 I14D6-R10 WeakPolarHBondContact O-CB 3.47Å; D6-R10 PolarHBondContact O-N 3.29Å; F7-R10 PolarHBondContact O-N 3.32Å; R10-E13 VanDerWaalsContact CD-OE2 3.28Å; R10-E13 WeakPolarHBondContact CD-OE2 3.28Å; R10-E13 IonicContact CZ-OE2 2.83Å; R10-E13 IonicContact NE-OE2 3.95Å; R10-E13 IonicContact NH1-OE2 2.76Å; R10-E13 PolarHBondContact NH1-OE2 3.48Å; R10-E13 PolarHBondContact O-N 2.76Å; R10-I14 HydrophobicContact CG-CD1 4.4Å; R10-I14 WeakPolarHBondContact O-CG1 3.46Å; R10-I14 PolarHBondContact O-N 3.13Å
11R95.1Very high94.6Very high88 Ų8876.5 Ų76.533%0.33236%0.361SS..Hα-helixtrans-63.1-43.1173.2-176.462.2-174.9-169.22111.2F7 C8 R9 E13 I14 E15 L73F7-R11 VanDerWaalsContact O-CB 3.31Å; F7-R11 WeakPolarHBondContact O-CB 3.49Å; F7-R11 PolarHBondContact O-N 3.43Å; C8-R11 PolarHBondContact O-N 3.43Å; R9-R11 VanDerWaalsContact C-N 3.3Å; R9-R11 PolarHBondContact O-N 3.26Å; R11-E13 PolarHBondContact O-N 2.83Å; R11-I14 PolarHBondContact O-N 2.95Å; R11-E15 HydrophobicContact CG-CG 4.45Å; R11-E15 IonicContact CZ-OE1 2.71Å; R11-E15 IonicContact NE-OE1 3.51Å; R11-E15 PolarHBondContact NE-OE1 3.39Å; R11-E15 IonicContact NH2-OE1 3.48Å; R11-E15 PolarHBondContact NH2-OE1 2.84Å; R11-E15 WeakPolarHBondContact O-CG 3.49Å; R11-E15 PolarHBondContact O-N 2.91Å; R11-L73 HydrophobicContact CB-CD1 4.11Å; R11-L73 HydrophobicContact CG-CD1 3.62Å
12A96.5Very high95.2Very high3 Ų374.3 Ų74.33%0.02535%0.351CS..Hα-helixtrans-62-41.5177.800000112.8C8 R9 I14 E15 L16 A70 L73 T74C8-A12 WeakPolarHBondContact O-CB 3.45Å; C8-A12 PolarHBondContact O-N 3.29Å; R9-A12 WeakPolarHBondContact O-CB 3.39Å; R9-A12 PolarHBondContact O-N 3.04Å; R9-A12 VanDerWaalsContact O-N 3.11Å; A12-I14 VanDerWaalsContact C-N 3.33Å; A12-I14 PolarHBondContact O-N 3.27Å; A12-E15 PolarHBondContact O-N 3.48Å; A12-L16 WeakPolarHBondContact O-CB 3.33Å; A12-L16 PolarHBondContact O-N 2.8Å; A12-A70 WeakPolarHBondContact CB-O 3.32Å; A12-A70 WeakPolarHBondContact O-CB 3.26Å; A12-L73 HydrophobicContact CB-CB 3.7Å; A12-L73 HydrophobicContact CB-CD1 4.37Å; A12-T74 WeakPolarHBondContact CB-OG1 3.35Å
13E97.5Very high95.7Very high100 Ų10073.7 Ų73.747%0.46734%0.338SS..Hα-helixtrans-57.8-45.7175-71.8169.9-174.800111.7R9 R10 R11 L16 E17R9-E13 WeakPolarHBondContact O-CG 3.36Å; R9-E13 PolarHBondContact O-N 2.94Å; R10-E13 VanDerWaalsContact CD-OE2 3.28Å; R10-E13 WeakPolarHBondContact CD-OE2 3.28Å; R10-E13 IonicContact CZ-OE2 2.83Å; R10-E13 IonicContact NE-OE2 3.95Å; R10-E13 IonicContact NH1-OE2 2.76Å; R10-E13 PolarHBondContact NH1-OE2 3.48Å; R10-E13 PolarHBondContact O-N 2.76Å; R11-E13 PolarHBondContact O-N 2.83Å; E13-L16 PolarHBondContact O-N 3.12Å; E13-E17 WeakPolarHBondContact O-CB 3.29Å; E13-E17 PolarHBondContact O-N 3.41Å
14I97.7Very high96Very high77 Ų7771.7 Ų71.740%0.39533%0.327SS..Hα-helixtrans-64.1-45.8179.1-66.8165.9000111R10 R11 A12 L16 E17 Y18R10-I14 HydrophobicContact CG-CD1 4.4Å; R10-I14 WeakPolarHBondContact O-CG1 3.46Å; R10-I14 PolarHBondContact O-N 3.13Å; R11-I14 PolarHBondContact O-N 2.95Å; A12-I14 VanDerWaalsContact C-N 3.33Å; A12-I14 PolarHBondContact O-N 3.27Å; I14-L16 VanDerWaalsContact C-N 3.3Å; I14-L16 PolarHBondContact O-N 2.9Å; I14-E17 PolarHBondContact O-N 3.47Å; I14-Y18 WeakPolarHBondContact O-CB 3.36Å; I14-Y18 PolarHBondContact O-N 3.41Å
15E96.4Very high96.4Very high6 Ų672.9 Ų72.93%0.02833%0.334CS..Hα-helixtrans-61.8-39.4177.4-67-66.6170.200111.6R11 A12 Y18 S19 R66 M69 A70 L73R11-E15 HydrophobicContact CG-CG 4.45Å; R11-E15 IonicContact CZ-OE1 2.71Å; R11-E15 IonicContact NE-OE1 3.51Å; R11-E15 PolarHBondContact NE-OE1 3.39Å; R11-E15 IonicContact NH2-OE1 3.48Å; R11-E15 PolarHBondContact NH2-OE1 2.84Å; R11-E15 WeakPolarHBondContact O-CG 3.49Å; R11-E15 PolarHBondContact O-N 2.91Å; A12-E15 PolarHBondContact O-N 3.48Å; E15-Y18 PolarHBondContact O-N 3.26Å; E15-S19 WeakPolarHBondContact O-CB 3.39Å; E15-S19 PolarHBondContact O-N 3.03Å; E15-R66 WeakPolarHBondContact OE2-CD 3.38Å; E15-M69 VanDerWaalsContact CD-SD 3.54Å; E15-M69 HydrophobicContact CG-CE 4.34Å; E15-M69 HydrophobicContact CG-CG 4.19Å; E15-M69 HydrophobicContact CG-SD 4.03Å; E15-M69 WeakPolarHBondContact OE1-CE 3.26Å; E15-A70 HydrophobicContact CB-CB 3.92Å; E15-L73 HydrophobicContact CG-CD1 4.38Å
16L97.9Very high96.7Very high62 Ų6272.6 Ų72.633%0.32533%0.332SS..Hα-helixtrans-69.7-39.8177.5-174.160.2000112.5A12 E13 I14 Y18 S19 K20 A70A12-L16 WeakPolarHBondContact O-CB 3.33Å; A12-L16 PolarHBondContact O-N 2.8Å; E13-L16 PolarHBondContact O-N 3.12Å; I14-L16 VanDerWaalsContact C-N 3.3Å; I14-L16 PolarHBondContact O-N 2.9Å; L16-Y18 VanDerWaalsContact C-N 3.34Å; L16-S19 PolarHBondContact O-N 3.25Å; L16-K20 HydrophobicContact CG-CD 4.33Å; L16-K20 WeakPolarHBondContact O-CB 3.25Å; L16-K20 VanDerWaalsContact O-CG 3.27Å; L16-K20 WeakPolarHBondContact O-CG 3.37Å; L16-K20 PolarHBondContact O-N 2.96Å; L16-A70 HydrophobicContact CB-CB 3.86Å
17E98Very high96.8Very high132 Ų13275.9 Ų75.962%0.61734%0.338SS*.Hα-helixtrans-64.5-40.8175.2-174172.8-167.600111.4E13 I14 K20 S21E13-E17 WeakPolarHBondContact O-CB 3.29Å; E13-E17 PolarHBondContact O-N 3.41Å; I14-E17 PolarHBondContact O-N 3.47Å; E17-K20 PolarHBondContact O-N 3.22Å; E17-S21 WeakPolarHBondContact O-CB 3.19Å; E17-S21 PolarHBondContact O-N 3.38Å; E17-S21 PolarHBondContact O-OG 3.34Å
18Y98.2Very high96.9Very high106 Ų10675.7 Ų75.742%0.41634%0.339SS..Hα-helixtrans-64.6-47174.8-175.9-134.3000111.6I14 E15 L16 K20 S21 L22 R66I14-Y18 WeakPolarHBondContact O-CB 3.36Å; I14-Y18 PolarHBondContact O-N 3.41Å; E15-Y18 PolarHBondContact O-N 3.26Å; L16-Y18 VanDerWaalsContact C-N 3.34Å; Y18-K20 PolarHBondContact O-N 3.29Å; Y18-S21 WeakPolarHBondContact O-CB 3.24Å; Y18-S21 PolarHBondContact O-N 3.41Å; Y18-S21 VanDerWaalsContact O-N 3.14Å; Y18-L22 HydrophobicContact CD1-CD1 4.19Å; Y18-L22 HydrophobicContact CD2-CD1 4.36Å; Y18-L22 HydrophobicContact CD2-CG 4.24Å; Y18-L22 HydrophobicContact CE1-CD1 3.81Å; Y18-L22 HydrophobicContact CE2-CD1 4Å; Y18-L22 HydrophobicContact CE2-CD2 4.01Å; Y18-L22 HydrophobicContact CE2-CG 3.91Å; Y18-L22 HydrophobicContact CG-CD1 4.44Å; Y18-L22 WeakPolarHBondContact O-CG 3.33Å; Y18-L22 PolarHBondContact O-N 2.92Å; Y18-R66 HydrophobicContact CD1-CB 4.43Å; Y18-R66 HydrophobicContact CD1-CG 3.75Å; Y18-R66 HydrophobicContact CE1-CG 4Å
19S98.1Very high97Very high7 Ų778.1 Ų78.15%0.04935%0.351CS..Hα-helixtrans-53-51.4172.7173.70000112.1E15 L16 S21 L22 E23 S63 S67E15-S19 WeakPolarHBondContact O-CB 3.39Å; E15-S19 PolarHBondContact O-N 3.03Å; L16-S19 PolarHBondContact O-N 3.25Å; S19-S21 VanDerWaalsContact C-N 3.28Å; S19-S21 PolarHBondContact O-N 3.13Å; S19-L22 PolarHBondContact O-N 2.76Å; S19-E23 WeakPolarHBondContact O-CB 3.48Å; S19-E23 PolarHBondContact O-N 3.03Å; S19-S63 WeakPolarHBondContact CB-O 3.38Å; S19-S63 PolarHBondContact O-OG 3.18Å; S19-S63 PolarHBondContact OG-O 3.13Å; S19-S67 WeakPolarHBondContact OG-CB 3.2Å
20K98.2Very high96.7Very high128 Ų12874.6 Ų74.656%0.55735%0.346SS*.Hα-helixtrans-59.9-37.8178.2-74.3169.7179.9172.50112.6L16 E17 Y18 K24L16-K20 HydrophobicContact CG-CD 4.33Å; L16-K20 WeakPolarHBondContact O-CB 3.25Å; L16-K20 VanDerWaalsContact O-CG 3.27Å; L16-K20 WeakPolarHBondContact O-CG 3.37Å; L16-K20 PolarHBondContact O-N 2.96Å; E17-K20 PolarHBondContact O-N 3.22Å; Y18-K20 PolarHBondContact O-N 3.29Å; K20-K24 WeakPolarHBondContact O-CB 3.43Å; K20-K24 PolarHBondContact O-N 3.12Å
21S98.4Very high96.5Very high66 Ų6670.3 Ų70.346%0.46234%0.343SS..Hα-helixtrans-67.1-43.8178.4-61.50000111.8E17 Y18 S19 K24 L25E17-S21 WeakPolarHBondContact O-CB 3.19Å; E17-S21 PolarHBondContact O-N 3.38Å; E17-S21 PolarHBondContact O-OG 3.34Å; Y18-S21 WeakPolarHBondContact O-CB 3.24Å; Y18-S21 PolarHBondContact O-N 3.41Å; Y18-S21 VanDerWaalsContact O-N 3.14Å; S19-S21 VanDerWaalsContact C-N 3.28Å; S19-S21 PolarHBondContact O-N 3.13Å; S21-K24 PolarHBondContact O-N 3.31Å; S21-L25 PolarHBondContact O-N 2.96Å
22L98Very high96.3Very high21 Ų2173.5 Ų73.511%0.1136%0.359CS..Hα-helixtrans-64.3-42.6174.2-68172.6000111.9Y18 S19 K24 L25 H26 T59 E62Y18-L22 HydrophobicContact CD1-CD1 4.19Å; Y18-L22 HydrophobicContact CD2-CD1 4.36Å; Y18-L22 HydrophobicContact CD2-CG 4.24Å; Y18-L22 HydrophobicContact CE1-CD1 3.81Å; Y18-L22 HydrophobicContact CE2-CD1 4Å; Y18-L22 HydrophobicContact CE2-CD2 4.01Å; Y18-L22 HydrophobicContact CE2-CG 3.91Å; Y18-L22 HydrophobicContact CG-CD1 4.44Å; Y18-L22 WeakPolarHBondContact O-CG 3.33Å; Y18-L22 PolarHBondContact O-N 2.92Å; S19-L22 PolarHBondContact O-N 2.76Å; L22-K24 VanDerWaalsContact C-N 3.31Å; L22-K24 PolarHBondContact O-N 3.18Å; L22-L25 WeakPolarHBondContact O-CB 3.24Å; L22-L25 PolarHBondContact O-N 3.28Å; L22-H26 PolarHBondContact O-N 3.48Å; L22-T59 HydrophobicContact CB-CG2 4.36Å; L22-T59 HydrophobicContact CD2-CG2 4.13Å; L22-E62 HydrophobicContact CD1-CB 4.24Å; L22-E62 HydrophobicContact CD1-CG 3.61Å
23E97.4Very high95.9Very high40 Ų4075.8 Ų75.819%0.18737%0.369CS..Hα-helixtrans-63-39.2176.9-169.456.9-146.100112.1S19 H26 R27 S63S19-E23 WeakPolarHBondContact O-CB 3.48Å; S19-E23 PolarHBondContact O-N 3.03Å; E23-H26 PolarHBondContact O-N 2.93Å; E23-R27 VanDerWaalsContact CG-NH2 3.33Å; E23-R27 WeakPolarHBondContact O-CB 3.44Å; E23-R27 WeakPolarHBondContact O-CG 3.49Å; E23-R27 PolarHBondContact O-N 3.48Å; E23-R27 IonicContact OE1-NE 3.21Å; E23-S63 WeakPolarHBondContact CB-OG 3.48Å; E23-S63 PolarHBondContact OE2-OG 2.94Å
24K97.7Very high95.3Very high127 Ų12778.9 Ų78.955%0.55238%0.381SS*.Hα-helixtrans-63.6-43.2174.4-177.3179.4177.7-177.50110.9K20 S21 L22 R27 Q28K20-K24 WeakPolarHBondContact O-CB 3.43Å; K20-K24 PolarHBondContact O-N 3.12Å; S21-K24 PolarHBondContact O-N 3.31Å; L22-K24 VanDerWaalsContact C-N 3.31Å; L22-K24 PolarHBondContact O-N 3.18Å; K24-R27 PolarHBondContact O-N 2.84Å; K24-Q28 WeakPolarHBondContact O-CB 3.32Å; K24-Q28 VanDerWaalsContact O-CG 3.29Å; K24-Q28 WeakPolarHBondContact O-CG 3.39Å; K24-Q28 PolarHBondContact O-N 3.4Å
25L97.7Very high94.9Very high76 Ų7678.5 Ų78.540%0.39839%0.389SS..Hα-helixtrans-59.6-50175.7178.363.1000111.3S21 L22 R27 Q28 I29 T59S21-L25 PolarHBondContact O-N 2.96Å; L22-L25 WeakPolarHBondContact O-CB 3.24Å; L22-L25 PolarHBondContact O-N 3.28Å; L25-R27 PolarHBondContact O-N 3.35Å; L25-Q28 PolarHBondContact O-N 2.92Å; L25-I29 HydrophobicContact CD1-CD1 3.69Å; L25-I29 HydrophobicContact CD1-CG1 4.18Å; L25-I29 HydrophobicContact CG-CD1 3.87Å; L25-I29 WeakPolarHBondContact O-CG1 3.24Å; L25-I29 PolarHBondContact O-N 2.88Å; L25-T59 HydrophobicContact CD2-CG2 4.15Å
26H97Very high94.4Very high17 Ų1780.7 Ų80.78%0.07940%0.4CS..Hα-helixtrans-54.7-50176173.277.2000111.4L22 E23 Q28 I29 A30 V56 E57L22-H26 PolarHBondContact O-N 3.48Å; E23-H26 PolarHBondContact O-N 2.93Å; H26-Q28 PolarHBondContact O-N 3.49Å; H26-I29 PolarHBondContact O-N 2.82Å; H26-A30 VanDerWaalsContact O-CB 3.3Å; H26-A30 WeakPolarHBondContact O-CB 3.41Å; H26-A30 PolarHBondContact O-N 3.1Å; H26-V56 WeakPolarHBondContact ND1-CG1 3.33Å; H26-V56 PolarHBondContact ND1-O 2.99Å; H26-E57 IonicContact CE1-OE1 3.7Å
27R95.6Very high93.5Very high157 Ų15784.2 Ų84.259%0.59241%0.412SS*.Hα-helixtrans-62.2-42.2179.2-77.9-172.1-103.4172.8-6.2113.2E23 K24 L25 A30 A31E23-R27 VanDerWaalsContact CG-NH2 3.33Å; E23-R27 WeakPolarHBondContact O-CB 3.44Å; E23-R27 WeakPolarHBondContact O-CG 3.49Å; E23-R27 PolarHBondContact O-N 3.48Å; E23-R27 IonicContact OE1-NE 3.21Å; K24-R27 PolarHBondContact O-N 2.84Å; L25-R27 PolarHBondContact O-N 3.35Å; R27-A30 PolarHBondContact O-N 2.99Å; R27-A31 VanDerWaalsContact O-CB 3.27Å; R27-A31 WeakPolarHBondContact O-CB 3.2Å; R27-A31 PolarHBondContact O-N 3.04Å
28Q95.8Very high92.4Very high113 Ų11386.2 Ų86.253%0.52842%0.422SS..Hα-helixtrans-63.6-45.2178.1-76.3178.5-10.400111.8K24 L25 H26 A31 K32K24-Q28 WeakPolarHBondContact O-CB 3.32Å; K24-Q28 VanDerWaalsContact O-CG 3.29Å; K24-Q28 WeakPolarHBondContact O-CG 3.39Å; K24-Q28 PolarHBondContact O-N 3.4Å; L25-Q28 PolarHBondContact O-N 2.92Å; H26-Q28 PolarHBondContact O-N 3.49Å; Q28-A31 PolarHBondContact O-N 3.37Å; Q28-K32 WeakPolarHBondContact O-CB 3.21Å; Q28-K32 PolarHBondContact O-N 3.38Å
29I93.8Very high91.4Very high51 Ų5188.3 Ų88.326%0.26243%0.433SS..Hα-helixtrans-65.2-44.7178.4-67.2171.1000110.6L25 H26 K32 H33 W52 V56L25-I29 HydrophobicContact CD1-CD1 3.69Å; L25-I29 HydrophobicContact CD1-CG1 4.18Å; L25-I29 HydrophobicContact CG-CD1 3.87Å; L25-I29 WeakPolarHBondContact O-CG1 3.24Å; L25-I29 PolarHBondContact O-N 2.88Å; H26-I29 PolarHBondContact O-N 2.82Å; I29-K32 PolarHBondContact O-N 2.84Å; I29-H33 WeakPolarHBondContact O-CB 3.17Å; I29-H33 PolarHBondContact O-N 3.45Å; I29-W52 HydrophobicContact CG2-CH2 4.47Å; I29-W52 HydrophobicContact CG2-CZ2 3.43Å; I29-W52 VanDerWaalsContact CG2-CZ2 3.43Å; I29-V56 HydrophobicContact CB-CG2 4.5Å; I29-V56 HydrophobicContact CG2-CG1 4.38Å; I29-V56 HydrophobicContact CG2-CG2 3.56Å
30A89.8Confident90.3Very high39 Ų3992.8 Ų92.832%0.32245%0.449SS..Hα-helixtrans-63.2-41.7177.700000112.5H26 R27 H33 K34H26-A30 VanDerWaalsContact O-CB 3.3Å; H26-A30 WeakPolarHBondContact O-CB 3.41Å; H26-A30 PolarHBondContact O-N 3.1Å; R27-A30 PolarHBondContact O-N 2.99Å; A30-H33 PolarHBondContact O-N 3.38Å; A30-K34 WeakPolarHBondContact O-CB 3.4Å; A30-K34 PolarHBondContact O-N 3.39Å
31A91.3Very high88.8Confident60 Ų6095.3 Ų95.350%0.49646%0.462SS..Hα-helixtrans-63.8-45.1176.500000111.8R27 Q28 H33 K34 A35R27-A31 VanDerWaalsContact O-CB 3.27Å; R27-A31 WeakPolarHBondContact O-CB 3.2Å; R27-A31 PolarHBondContact O-N 3.04Å; Q28-A31 PolarHBondContact O-N 3.37Å; A31-H33 VanDerWaalsContact C-N 3.33Å; A31-H33 PolarHBondContact O-N 3.2Å; A31-K34 PolarHBondContact O-N 3.01Å; A31-A35 PolarHBondContact O-N 3.23Å
32K91.4Very high87.8Confident155 Ų15594.1 Ų94.167%0.67445%0.454SS*.Hα-helixtrans-60.6-42.9175.6-173.2177.8-179.3178.30111.5Q28 I29 A35 E36Q28-K32 WeakPolarHBondContact O-CB 3.21Å; Q28-K32 PolarHBondContact O-N 3.38Å; I29-K32 PolarHBondContact O-N 2.84Å; K32-A35 PolarHBondContact O-N 3.45Å; K32-E36 PolarHBondContact O-N 3.38Å; K32-E36 VanDerWaalsContact O-N 3.14Å
33H87.1Confident86.8Confident51 Ų5198.7 Ų98.724%0.23647%0.47CS..Hα-helixtrans-63.2-43.2176.2-178.265.3000112.1I29 A30 A31 A35 E36 K37 Y49 W52I29-H33 WeakPolarHBondContact O-CB 3.17Å; I29-H33 PolarHBondContact O-N 3.45Å; A30-H33 PolarHBondContact O-N 3.38Å; A31-H33 VanDerWaalsContact C-N 3.33Å; A31-H33 PolarHBondContact O-N 3.2Å; H33-A35 VanDerWaalsContact C-N 3.34Å; H33-A35 PolarHBondContact O-N 3.35Å; H33-E36 PolarHBondContact O-N 3.06Å; H33-K37 PolarHBondContact O-N 2.89Å; H33-Y49 AromaticContact CE1-CE2 3.44Å; H33-Y49 VanDerWaalsContact CE1-CE2 3.44Å; H33-Y49 WeakPolarHBondContact CE1-CE2 3.49Å; H33-Y49 AromaticContact NE2-CE2 3.56Å; H33-W52 HydrophobicContact CB-CH2 3.52Å; H33-W52 HydrophobicContact CB-CZ2 3.86Å; H33-W52 AromaticContact CD2-CH2 3.74Å; H33-W52 AromaticContact CG-CH2 3.33Å; H33-W52 AromaticContact CG-CZ3 3.94Å; H33-W52 AromaticContact ND1-CH2 3.68Å; H33-W52 AromaticContact ND1-CZ3 3.97Å
34K86.7Confident86.1Confident165 Ų165100.1 Ų100.172%0.71748%0.482SS*.Hα-helixtrans-61.1-40.9176.9-172.7178.6178.5-178.20112.2A30 A31A30-K34 WeakPolarHBondContact O-CB 3.4Å; A30-K34 PolarHBondContact O-N 3.39Å; A31-K34 PolarHBondContact O-N 3.01Å
35A88.1Confident85.3Confident69 Ų6997.2 Ų97.257%0.5747%0.472SS*.Hα-helixtrans-66.1-35.6177.800000112.9A31 K32 H33A31-A35 PolarHBondContact O-N 3.23Å; K32-A35 PolarHBondContact O-N 3.45Å; H33-A35 VanDerWaalsContact C-N 3.34Å; H33-A35 PolarHBondContact O-N 3.35Å
36E85.2Confident84.7Confident52 Ų5295.4 Ų95.424%0.24346%0.461CS..Hα-helixtrans-87.6-11.3-178.7-72.1-68.6129.200113.8K32 H33 Q38 K39 R40K32-E36 PolarHBondContact O-N 3.38Å; K32-E36 VanDerWaalsContact O-N 3.14Å; H33-E36 PolarHBondContact O-N 3.06Å; E36-Q38 VanDerWaalsContact C-N 3.26Å; E36-Q38 PolarHBondContact O-N 3.34Å; E36-K39 PolarHBondContact O-N 3.22Å; E36-K39 IonicContact OE1-NZ 3.77Å; E36-K39 PolarHBondContact OE1-NZ 3.34Å; E36-K39 IonicContact OE2-NZ 2.63Å; E36-R40 IonicContact OE2-CZ 3.64Å; E36-R40 IonicContact OE2-NE 3.46Å; E36-R40 IonicContact OE2-NH2 2.81Å
37K80.6Confident84.3Confident136 Ų13695 Ų9559%0.59146%0.46SS*.G310 helixtrans-56.4-37.9-176-171.1179.2178.8-175.70113H33 K39 R40H33-K37 PolarHBondContact O-N 2.89Å; K37-K39 PolarHBondContact O-N 3.44Å; K37-R40 PolarHBondContact O-N 3.37Å
38Q74.8Confident83.8Confident175 Ų17590.1 Ų90.182%0.81845%0.454SS*.G310 helixtrans-66.5-22.7179.9-69178.6-13.500113.4E36E36-Q38 VanDerWaalsContact C-N 3.26Å; E36-Q38 PolarHBondContact O-N 3.34Å
39K77.4Confident83.5Confident150 Ų15086.8 Ų86.865%0.65244%0.437SS*.G310 helixtrans-88.3-7.2179.4-61.4177.3-172.5163.60112.8E36 K37E36-K39 PolarHBondContact O-N 3.22Å; E36-K39 IonicContact OE1-NZ 3.77Å; E36-K39 PolarHBondContact OE1-NZ 3.34Å; E36-K39 IonicContact OE2-NZ 2.63Å; K37-K39 PolarHBondContact O-N 3.44Å
40R73.3Confident83.1Confident101 Ų10186.1 Ų86.138%0.38144%0.436SS..  trans-143.759.3-160.4-69.9173.8-179-173.68.1111.6E36 K37 S42 W43E36-R40 IonicContact OE2-CZ 3.64Å; E36-R40 IonicContact OE2-NE 3.46Å; E36-R40 IonicContact OE2-NH2 2.81Å; K37-R40 PolarHBondContact O-N 3.37Å; R40-S42 PolarHBondContact O-N 3Å; R40-S42 VanDerWaalsContact O-N 3.14Å; R40-W43 HydrophobicContact CB-CB 4.29Å; R40-W43 HydrophobicContact CB-CD2 4.14Å; R40-W43 HydrophobicContact CB-CG 3.75Å; R40-W43 VanDerWaalsContact CD-CE2 3.45Å; R40-W43 HydrophobicContact CG-CD2 4.2Å; R40-W43 HydrophobicContact CG-CG 4.26Å; R40-W43 HydrophobicContact CG-CZ2 4.48Å; R40-W43 PolarHBondContact O-N 3.13Å
41E68.2Low83.1Confident180 Ų18087 Ų8784%0.84143%0.434SS*.THydrogen-bonded Turntrans-61.3-24.1-170.8-64.9-175.8160.600114.8
42S76Confident83Confident41 Ų4188 Ų8829%0.28743%0.425SS..THydrogen-bonded Turntrans-106.11.8-175.358.40000115.5R40 T44 N45 F46R40-S42 PolarHBondContact O-N 3Å; R40-S42 VanDerWaalsContact O-N 3.14Å; S42-T44 PolarHBondContact O-N 3.03Å; S42-T44 VanDerWaalsContact O-N 3.16Å; S42-N45 WeakPolarHBondContact O-CB 3.44Å; S42-N45 PolarHBondContact O-N 2.92Å; S42-F46 VanDerWaalsContact O-CE2 3.32Å; S42-F46 WeakPolarHBondContact O-CE2 3.05Å
43W77.1Confident83Confident118 Ų11885.5 Ų85.545%0.44742%0.415SS..G310 helixtrans-63-26.7-172-92.239.8000114.4R40 N45 F46 Y49R40-W43 HydrophobicContact CB-CB 4.29Å; R40-W43 HydrophobicContact CB-CD2 4.14Å; R40-W43 HydrophobicContact CB-CG 3.75Å; R40-W43 VanDerWaalsContact CD-CE2 3.45Å; R40-W43 HydrophobicContact CG-CD2 4.2Å; R40-W43 HydrophobicContact CG-CG 4.26Å; R40-W43 HydrophobicContact CG-CZ2 4.48Å; R40-W43 PolarHBondContact O-N 3.13Å; W43-N45 PolarHBondContact O-N 2.74Å; W43-N45 VanDerWaalsContact O-N 3.11Å; W43-F46 WeakPolarHBondContact O-CD2 3.39Å; W43-F46 PolarHBondContact O-N 2.86Å; W43-Y49 WeakPolarHBondContact O-CB 3.34Å
44T82.5Confident83.1Confident70 Ų7084 Ų8443%0.42941%0.408SS..G310 helixtrans-65.2-13.6-178.750.80000113.8S42 Y49S42-T44 PolarHBondContact O-N 3.03Å; S42-T44 VanDerWaalsContact O-N 3.16Å; T44-Y49 HydrophobicContact CG2-CD1 4.29Å; T44-Y49 HydrophobicContact CG2-CE1 3.78Å
45N81.8Confident83.4Confident65 Ų6580.3 Ų80.335%0.34839%0.392SS..G310 helixtrans-88.3-8.5-173.3-61.1-8.8000113.4S42 W43 R237S42-N45 WeakPolarHBondContact O-CB 3.44Å; S42-N45 PolarHBondContact O-N 2.92Å; W43-N45 PolarHBondContact O-N 2.74Å; W43-N45 VanDerWaalsContact O-N 3.11Å; N45-R237 WeakPolarHBondContact O-CD 3.45Å; N45-R237 PolarHBondContact O-NH1 3.37Å
46F85.9Confident83.7Confident39 Ų3977.6 Ų77.617%0.17137%0.368CS..SBendtrans-98.5143.8-174.5-56.7-67.1000112.5S42 W43 A48 Y49 S50 D234 F238S42-F46 VanDerWaalsContact O-CE2 3.32Å; S42-F46 WeakPolarHBondContact O-CE2 3.05Å; W43-F46 WeakPolarHBondContact O-CD2 3.39Å; W43-F46 PolarHBondContact O-N 2.86Å; F46-A48 PolarHBondContact O-N 3.43Å; F46-Y49 WeakPolarHBondContact O-CB 3.41Å; F46-Y49 PolarHBondContact O-N 3.04Å; F46-S50 PolarHBondContact O-N 3.1Å; F46-D234 WeakPolarHBondContact CA-OD1 3.08Å; F46-D234 HydrophobicContact CD1-CB 4.02Å; F46-F238 HydrophobicContact CE1-CB 3.96Å; F46-F238 HydrophobicContact CE1-CD2 4.42Å; F46-F238 HydrophobicContact CZ-CB 4.32Å; F46-F238 HydrophobicContact CZ-CD2 4.01Å
47A87.6Confident84Confident7 Ų778.6 Ų78.66%0.05837%0.373CS..Hα-helixtrans-58.3-35178.800000112.1Y49 S50 M51 L229 D234A47-Y49 VanDerWaalsContact C-N 3.29Å; A47-Y49 PolarHBondContact O-N 3.41Å; A47-S50 PolarHBondContact O-N 3.35Å; A47-M51 PolarHBondContact O-N 2.93Å; A47-L229 HydrophobicContact CB-CD2 4.02Å; A47-D234 WeakPolarHBondContact CB-OD2 3.44Å; A47-D234 PolarHBondContact N-OD1 3.3Å; A47-D234 PolarHBondContact N-OD2 3.02Å; A47-D234 VanDerWaalsContact N-OD2 3.08Å
48A86.5Confident84.6Confident55 Ų5573.9 Ų73.946%0.45535%0.353SS..Hα-helixtrans-59.6-35.9175.700000113.3F46 W52F46-A48 PolarHBondContact O-N 3.43Å; A48-W52 WeakPolarHBondContact O-CB 3.39Å; A48-W52 PolarHBondContact O-N 2.86Å
49Y87.5Confident85.6Confident43 Ų4367.1 Ų67.117%0.16932%0.324CS..Hα-helixtrans-68.4-43.6176.1169.6-100.3000111.5H33 W43 T44 F46 A47 M51 W52 K53H33-Y49 AromaticContact CE1-CE2 3.44Å; H33-Y49 VanDerWaalsContact CE1-CE2 3.44Å; H33-Y49 WeakPolarHBondContact CE1-CE2 3.49Å; H33-Y49 AromaticContact NE2-CE2 3.56Å; W43-Y49 WeakPolarHBondContact O-CB 3.34Å; T44-Y49 HydrophobicContact CG2-CD1 4.29Å; T44-Y49 HydrophobicContact CG2-CE1 3.78Å; F46-Y49 WeakPolarHBondContact O-CB 3.41Å; F46-Y49 PolarHBondContact O-N 3.04Å; A47-Y49 VanDerWaalsContact C-N 3.29Å; A47-Y49 PolarHBondContact O-N 3.41Å; Y49-M51 VanDerWaalsContact C-N 3.34Å; Y49-M51 PolarHBondContact O-N 2.89Å; Y49-W52 AromaticContact CD2-CE3 3.85Å; Y49-W52 HydrophobicContact CD2-CE3 3.85Å; Y49-W52 HydrophobicContact CD2-CZ3 4.17Å; Y49-W52 AromaticContact CE2-CE3 3.74Å; Y49-W52 HydrophobicContact CE2-CE3 3.74Å; Y49-W52 AromaticContact CE2-CZ3 3.59Å; Y49-W52 HydrophobicContact CE2-CZ3 3.59Å; Y49-W52 PolarHBondContact O-N 3.36Å; Y49-K53 HydrophobicContact CE1-CD 4.35Å; Y49-K53 WeakPolarHBondContact O-CB 3.31Å; Y49-K53 PolarHBondContact O-N 3.45Å
50S86.8Confident86.5Confident37 Ų3762.2 Ų62.226%0.25930%0.303SS..Hα-helixtrans-61.5-43.4177.5-54.10000111.6F46 A47 K53 M54F46-S50 PolarHBondContact O-N 3.1Å; A47-S50 PolarHBondContact O-N 3.35Å; S50-K53 PolarHBondContact O-N 2.85Å; S50-M54 WeakPolarHBondContact O-CB 3.49Å; S50-M54 PolarHBondContact O-N 2.8Å
51M89.1Confident87.5Confident57 Ų5760.6 Ų60.628%0.28130%0.301SS..Hα-helixtrans-60.1-49.3173.9-178.4-172.570.900111.7A47 Y49 K53 M54 F55 L229A47-M51 PolarHBondContact O-N 2.93Å; Y49-M51 VanDerWaalsContact C-N 3.34Å; Y49-M51 PolarHBondContact O-N 2.89Å; M51-K53 VanDerWaalsContact C-N 3.34Å; M51-K53 PolarHBondContact O-N 3.13Å; M51-M54 PolarHBondContact O-N 3.19Å; M51-F55 HydrophobicContact CE-CE2 4.21Å; M51-F55 HydrophobicContact CG-CD2 4.22Å; M51-F55 HydrophobicContact CG-CE2 3.61Å; M51-F55 HydrophobicContact CG-CZ 4.02Å; M51-F55 PolarHBondContact O-N 3.08Å; M51-F55 VanDerWaalsContact O-N 3.1Å; M51-F55 HydrophobicContact SD-CE2 4.01Å; M51-F55 HydrophobicContact SD-CZ 4.38Å; M51-L229 HydrophobicContact CB-CD2 4.5Å; M51-L229 HydrophobicContact SD-CD1 3.99Å; M51-L229 HydrophobicContact SD-CD2 4.23Å
52W90.1Very high88.8Confident81 Ų8153.6 Ų53.631%0.30727%0.268SS..Hα-helixtrans-57.7-45.8176.5167.584.5000112.1I29 H33 A48 Y49 M54 F55 V56I29-W52 HydrophobicContact CG2-CH2 4.47Å; I29-W52 HydrophobicContact CG2-CZ2 3.43Å; I29-W52 VanDerWaalsContact CG2-CZ2 3.43Å; H33-W52 HydrophobicContact CB-CH2 3.52Å; H33-W52 HydrophobicContact CB-CZ2 3.86Å; H33-W52 AromaticContact CD2-CH2 3.74Å; H33-W52 AromaticContact CG-CH2 3.33Å; H33-W52 AromaticContact CG-CZ3 3.94Å; H33-W52 AromaticContact ND1-CH2 3.68Å; H33-W52 AromaticContact ND1-CZ3 3.97Å; A48-W52 WeakPolarHBondContact O-CB 3.39Å; A48-W52 PolarHBondContact O-N 2.86Å; Y49-W52 AromaticContact CD2-CE3 3.85Å; Y49-W52 HydrophobicContact CD2-CE3 3.85Å; Y49-W52 HydrophobicContact CD2-CZ3 4.17Å; Y49-W52 AromaticContact CE2-CE3 3.74Å; Y49-W52 HydrophobicContact CE2-CE3 3.74Å; Y49-W52 AromaticContact CE2-CZ3 3.59Å; Y49-W52 HydrophobicContact CE2-CZ3 3.59Å; Y49-W52 PolarHBondContact O-N 3.36Å; W52-M54 VanDerWaalsContact C-N 3.29Å; W52-M54 PolarHBondContact O-N 2.94Å; W52-F55 PolarHBondContact O-N 3.17Å; W52-V56 HydrophobicContact CD2-CG2 4.25Å; W52-V56 HydrophobicContact CH2-CG2 4.48Å; W52-V56 HydrophobicContact CZ2-CG2 3.93Å; W52-V56 WeakPolarHBondContact O-CG2 3.46Å; W52-V56 PolarHBondContact O-N 2.97Å; W52-V56 VanDerWaalsContact O-N 3.11Å
53K89.8Confident89.7Confident103 Ų10351.8 Ų51.845%0.44826%0.256SS..Hα-helixtrans-60.2-42.8179.6-178.8-177.9176.1-174.30110.8Y49 S50 M51 V56 E57Y49-K53 HydrophobicContact CE1-CD 4.35Å; Y49-K53 WeakPolarHBondContact O-CB 3.31Å; Y49-K53 PolarHBondContact O-N 3.45Å; S50-K53 PolarHBondContact O-N 2.85Å; M51-K53 VanDerWaalsContact C-N 3.34Å; M51-K53 PolarHBondContact O-N 3.13Å; K53-V56 PolarHBondContact O-N 3.42Å; K53-E57 PolarHBondContact O-N 3.35Å
54M90.6Very high90.7Very high21 Ų2153.1 Ų53.110%0.10326%0.26CS..Hα-helixtrans-60.1-47.9176.9176-79.4-71.600111S50 M51 W52 V56 E57 E58 Y222 W225S50-M54 WeakPolarHBondContact O-CB 3.49Å; S50-M54 PolarHBondContact O-N 2.8Å; M51-M54 PolarHBondContact O-N 3.19Å; W52-M54 VanDerWaalsContact C-N 3.29Å; W52-M54 PolarHBondContact O-N 2.94Å; M54-V56 VanDerWaalsContact C-N 3.27Å; M54-V56 PolarHBondContact O-N 3.29Å; M54-E57 PolarHBondContact O-N 3.18Å; M54-E57 VanDerWaalsContact O-N 3.16Å; M54-E58 HydrophobicContact CG-CG 4.48Å; M54-E58 WeakPolarHBondContact O-CG 3.29Å; M54-E58 PolarHBondContact O-N 3.3Å; M54-E58 HydrophobicContact SD-CG 3.96Å; M54-Y222 HydrophobicContact CE-CD1 3.42Å; M54-Y222 VanDerWaalsContact CE-CD1 3.42Å; M54-Y222 HydrophobicContact CE-CE1 3.9Å; M54-Y222 HydrophobicContact CE-CG 4.46Å; M54-Y222 HydrophobicContact SD-CD1 3.31Å; M54-Y222 WeakPolarHBondContact SD-CD1 3.39Å; M54-Y222 HydrophobicContact SD-CE1 3.24Å; M54-Y222 WeakPolarHBondContact SD-CE1 3.31Å; M54-W225 HydrophobicContact CE-CB 4.16Å; M54-W225 HydrophobicContact CE-CG 4.17Å
55F92.7Very high91.3Very high87 Ų8751.6 Ų51.638%0.38225%0.25SC..Hα-helixtrans-58.3-38.2175.8-68.3-41.2000113.3M51 W52 T59 Y222M51-F55 HydrophobicContact CE-CE2 4.21Å; M51-F55 HydrophobicContact CG-CD2 4.22Å; M51-F55 HydrophobicContact CG-CE2 3.61Å; M51-F55 HydrophobicContact CG-CZ 4.02Å; M51-F55 PolarHBondContact O-N 3.08Å; M51-F55 VanDerWaalsContact O-N 3.1Å; M51-F55 HydrophobicContact SD-CE2 4.01Å; M51-F55 HydrophobicContact SD-CZ 4.38Å; W52-F55 PolarHBondContact O-N 3.17Å; F55-T59 PolarHBondContact O-N 3.33Å; F55-T59 VanDerWaalsContact O-N 3.09Å; F55-T59 PolarHBondContact O-OG1 3.39Å; F55-Y222 HydrophobicContact CD1-CD1 4.15Å; F55-Y222 AromaticContact CD1-CE1 3.67Å; F55-Y222 HydrophobicContact CD1-CE1 3.67Å; F55-Y222 AromaticContact CE1-CD1 3.81Å; F55-Y222 HydrophobicContact CE1-CD1 3.81Å; F55-Y222 AromaticContact CE1-CE1 3.78Å; F55-Y222 HydrophobicContact CE1-CE1 3.78Å; F55-Y222 HydrophobicContact CE1-CG 4.21Å
56V93.4Very high92Very high11 Ų1150.1 Ų50.17%0.06724%0.239CC..Hα-helixtrans-69.7-37179174.20000112.2H26 I29 W52 K53 M54 K60H26-V56 WeakPolarHBondContact ND1-CG1 3.33Å; H26-V56 PolarHBondContact ND1-O 2.99Å; I29-V56 HydrophobicContact CB-CG2 4.5Å; I29-V56 HydrophobicContact CG2-CG1 4.38Å; I29-V56 HydrophobicContact CG2-CG2 3.56Å; W52-V56 HydrophobicContact CD2-CG2 4.25Å; W52-V56 HydrophobicContact CH2-CG2 4.48Å; W52-V56 HydrophobicContact CZ2-CG2 3.93Å; W52-V56 WeakPolarHBondContact O-CG2 3.46Å; W52-V56 PolarHBondContact O-N 2.97Å; W52-V56 VanDerWaalsContact O-N 3.11Å; K53-V56 PolarHBondContact O-N 3.42Å; M54-V56 VanDerWaalsContact C-N 3.27Å; M54-V56 PolarHBondContact O-N 3.29Å; V56-K60 PolarHBondContact O-N 3.5Å
57E92.8Very high92.5Very high74 Ų7450.7 Ų50.735%0.34625%0.248SC..Hα-helixtrans-74-39.6175.5-69.6-57.4144.500112H26 K53 M54 T59 K60 I61H26-E57 IonicContact CE1-OE1 3.7Å; K53-E57 PolarHBondContact O-N 3.35Å; M54-E57 PolarHBondContact O-N 3.18Å; M54-E57 VanDerWaalsContact O-N 3.16Å; E57-T59 VanDerWaalsContact C-N 3.3Å; E57-T59 PolarHBondContact O-N 3.23Å; E57-K60 WeakPolarHBondContact O-CA 3.43Å; E57-K60 VanDerWaalsContact O-CB 3.28Å; E57-K60 WeakPolarHBondContact O-CB 3.28Å; E57-K60 PolarHBondContact O-N 3.28Å; E57-I61 WeakPolarHBondContact O-CG1 3.38Å; E57-I61 PolarHBondContact O-N 3.36Å
58E93.8Very high92.9Very high37 Ų3754.4 Ų54.417%0.17327%0.27CS..Hα-helixtrans-61.4-38.9174.9-71.3-59.2138.100111.8M54 K60 I61 E62 S218 Y222M54-E58 HydrophobicContact CG-CG 4.48Å; M54-E58 WeakPolarHBondContact O-CG 3.29Å; M54-E58 PolarHBondContact O-N 3.3Å; M54-E58 HydrophobicContact SD-CG 3.96Å; E58-K60 PolarHBondContact O-N 2.98Å; E58-I61 PolarHBondContact O-N 3.42Å; E58-E62 WeakPolarHBondContact O-CB 3.41Å; E58-E62 PolarHBondContact O-N 2.88Å; E58-S218 VanDerWaalsContact CD-OG 3.23Å; E58-S218 WeakPolarHBondContact CG-OG 3.23Å; E58-S218 WeakPolarHBondContact OE2-CB 3.19Å; E58-S218 PolarHBondContact OE2-OG 3.3Å; E58-Y222 HydrophobicContact CB-CE1 4.3Å; E58-Y222 HydrophobicContact CG-CE1 3.88Å
59T95.3Very high93.3Very high32 Ų3252.6 Ų52.620%0.19625%0.252CS..Hα-helixtrans-58.1-36.7172.5-58.10000112.2L22 L25 F55 E57 S63L22-T59 HydrophobicContact CB-CG2 4.36Å; L22-T59 HydrophobicContact CD2-CG2 4.13Å; L25-T59 HydrophobicContact CD2-CG2 4.15Å; F55-T59 PolarHBondContact O-N 3.33Å; F55-T59 VanDerWaalsContact O-N 3.09Å; F55-T59 PolarHBondContact O-OG1 3.39Å; E57-T59 VanDerWaalsContact C-N 3.3Å; E57-T59 PolarHBondContact O-N 3.23Å; T59-S63 WeakPolarHBondContact O-CB 3.49Å; T59-S63 PolarHBondContact O-N 2.95Å
60K95.7Very high93.8Very high48 Ų4850.7 Ų50.721%0.20925%0.246CC..Hα-helixtrans-74.3-38.6178.5-173-167.9-167.8166.10112.1V56 E57 E58 E62 S63 R64V56-K60 PolarHBondContact O-N 3.5Å; E57-K60 WeakPolarHBondContact O-CA 3.43Å; E57-K60 VanDerWaalsContact O-CB 3.28Å; E57-K60 WeakPolarHBondContact O-CB 3.28Å; E57-K60 PolarHBondContact O-N 3.28Å; E58-K60 PolarHBondContact O-N 2.98Å; K60-E62 VanDerWaalsContact C-N 3.32Å; K60-S63 WeakPolarHBondContact O-CB 3.49Å; K60-S63 PolarHBondContact O-N 3.02Å; K60-R64 WeakPolarHBondContact O-CG 3.49Å; K60-R64 PolarHBondContact O-N 2.99Å; K60-R64 VanDerWaalsContact O-N 3.13Å
61I94.4Very high94.2Very high67 Ų6752.9 Ų52.934%0.34425%0.254SS..Hα-helixtrans-61.9-46.2174.1-67.6167.5000109.3E57 E58 S63 R64 N65E57-I61 WeakPolarHBondContact O-CG1 3.38Å; E57-I61 PolarHBondContact O-N 3.36Å; E58-I61 PolarHBondContact O-N 3.42Å; I61-S63 PolarHBondContact O-N 2.95Å; I61-R64 WeakPolarHBondContact O-CB 3.46Å; I61-R64 PolarHBondContact O-N 3.37Å; I61-N65 VanDerWaalsContact O-CG 3.27Å; I61-N65 PolarHBondContact O-N 2.99Å; I61-N65 PolarHBondContact O-ND2 3.42Å
62E94.7Very high94.5Very high32 Ų3252.4 Ų52.415%0.1525%0.252CS..Hα-helixtrans-60.2-45.8177-17862.8-172.700112.1L22 E58 K60 R64 N65 R66L22-E62 HydrophobicContact CD1-CB 4.24Å; L22-E62 HydrophobicContact CD1-CG 3.61Å; E58-E62 WeakPolarHBondContact O-CB 3.41Å; E58-E62 PolarHBondContact O-N 2.88Å; K60-E62 VanDerWaalsContact C-N 3.32Å; E62-R64 VanDerWaalsContact C-N 3.31Å; E62-R64 PolarHBondContact O-N 2.98Å; E62-N65 PolarHBondContact O-N 3.01Å; E62-R66 VanDerWaalsContact O-CG 3.28Å; E62-R66 WeakPolarHBondContact O-CG 3.48Å; E62-R66 PolarHBondContact O-N 3.23Å; E62-R66 IonicContact OE1-CZ 3.94Å; E62-R66 IonicContact OE1-NE 3.46Å; E62-R66 PolarHBondContact OE1-NE 3.37Å; E62-R66 IonicContact OE1-NH2 3.95Å; E62-R66 PolarHBondContact OE1-NH2 2.84Å
63S96.9Very high94.7Very high4 Ų448.9 Ų48.93%0.02824%0.24CC..Hα-helixtrans-50.6-48.8172.2164.80000112.3S19 E23 T59 K60 I61 R66 S67S19-S63 WeakPolarHBondContact CB-O 3.38Å; S19-S63 PolarHBondContact O-OG 3.18Å; S19-S63 PolarHBondContact OG-O 3.13Å; E23-S63 WeakPolarHBondContact CB-OG 3.48Å; E23-S63 PolarHBondContact OE2-OG 2.94Å; T59-S63 WeakPolarHBondContact O-CB 3.49Å; T59-S63 PolarHBondContact O-N 2.95Å; K60-S63 WeakPolarHBondContact O-CB 3.49Å; K60-S63 PolarHBondContact O-N 3.02Å; I61-S63 PolarHBondContact O-N 2.95Å; S63-R66 PolarHBondContact O-N 3.25Å; S63-S67 PolarHBondContact O-N 2.92Å; S63-S67 VanDerWaalsContact O-N 3.08Å
64R96.5Very high94.9Very high145 Ų14546.8 Ų46.855%0.54724%0.236SC..Hα-helixtrans-65.7-44.5-179.9-71170.6174.4-177.2-6112.1K60 I61 E62 R66 S67 V68K60-R64 WeakPolarHBondContact O-CG 3.49Å; K60-R64 PolarHBondContact O-N 2.99Å; K60-R64 VanDerWaalsContact O-N 3.13Å; I61-R64 WeakPolarHBondContact O-CB 3.46Å; I61-R64 PolarHBondContact O-N 3.37Å; E62-R64 VanDerWaalsContact C-N 3.31Å; E62-R64 PolarHBondContact O-N 2.98Å; R64-R66 VanDerWaalsContact C-N 3.32Å; R64-R66 PolarHBondContact O-N 2.98Å; R64-S67 WeakPolarHBondContact O-CB 3.39Å; R64-S67 PolarHBondContact O-N 2.66Å; R64-S67 VanDerWaalsContact O-N 3.15Å; R64-V68 WeakPolarHBondContact O-CG2 3.43Å; R64-V68 PolarHBondContact O-N 2.77Å
65N96.2Very high95Very high39 Ų3949.7 Ų49.721%0.20925%0.252CS..Hα-helixtrans-57.5-45.4178.5-73.4-14.4000111.6I61 E62 V68 M69 L211I61-N65 VanDerWaalsContact O-CG 3.27Å; I61-N65 PolarHBondContact O-N 2.99Å; I61-N65 PolarHBondContact O-ND2 3.42Å; E62-N65 PolarHBondContact O-N 3.01Å; N65-V68 PolarHBondContact O-N 3.38Å; N65-M69 PolarHBondContact O-N 3.31Å; N65-L211 HydrophobicContact CB-CD2 3.6Å
66R95.6Very high95Very high34 Ų3450.6 Ų50.613%0.12826%0.257CS..Hα-helixtrans-66.1-36.6176.8-59.3-66.9172.1-165-4.5112.2E15 Y18 E62 S63 R64 M69 A70 E215E15-R66 WeakPolarHBondContact OE2-CD 3.38Å; Y18-R66 HydrophobicContact CD1-CB 4.43Å; Y18-R66 HydrophobicContact CD1-CG 3.75Å; Y18-R66 HydrophobicContact CE1-CG 4Å; E62-R66 VanDerWaalsContact O-CG 3.28Å; E62-R66 WeakPolarHBondContact O-CG 3.48Å; E62-R66 PolarHBondContact O-N 3.23Å; E62-R66 IonicContact OE1-CZ 3.94Å; E62-R66 IonicContact OE1-NE 3.46Å; E62-R66 PolarHBondContact OE1-NE 3.37Å; E62-R66 IonicContact OE1-NH2 3.95Å; E62-R66 PolarHBondContact OE1-NH2 2.84Å; S63-R66 PolarHBondContact O-N 3.25Å; R64-R66 VanDerWaalsContact C-N 3.32Å; R64-R66 PolarHBondContact O-N 2.98Å; R66-M69 PolarHBondContact O-N 3.08Å; R66-A70 PolarHBondContact O-N 2.72Å; R66-E215 IonicContact CZ-OE1 2.74Å; R66-E215 IonicContact NH2-OE1 3.72Å; R66-E215 PolarHBondContact NH2-OE1 2.78Å
67S97.2Very high95Very high50 Ų5050.1 Ų50.135%0.3525%0.254SS..Hα-helixtrans-62.8-42.2173.3-169.90000112.4S19 S63 R64 A70 D71S19-S67 WeakPolarHBondContact OG-CB 3.2Å; S63-S67 PolarHBondContact O-N 2.92Å; S63-S67 VanDerWaalsContact O-N 3.08Å; R64-S67 WeakPolarHBondContact O-CB 3.39Å; R64-S67 PolarHBondContact O-N 2.66Å; R64-S67 VanDerWaalsContact O-N 3.15Å; S67-A70 PolarHBondContact O-N 3.44Å; S67-D71 PolarHBondContact O-N 2.84Å
68V96.2Very high94.9Very high86 Ų8646.8 Ų46.852%0.52124%0.239SC..Hα-helixtrans-65.7-40.7177.7173.10000110.6R64 N65 A70 D71 L72R64-V68 WeakPolarHBondContact O-CG2 3.43Å; R64-V68 PolarHBondContact O-N 2.77Å; N65-V68 PolarHBondContact O-N 3.38Å; V68-A70 VanDerWaalsContact C-N 3.34Å; V68-A70 PolarHBondContact O-N 2.86Å; V68-D71 PolarHBondContact O-N 3.11Å; V68-L72 HydrophobicContact CG1-CD1 4.08Å; V68-L72 HydrophobicContact CG1-CG 4.43Å; V68-L72 WeakPolarHBondContact O-CG 3.45Å; V68-L72 PolarHBondContact O-N 3Å
69M95.1Very high94.9Very high16 Ų1649 Ų498%0.07926%0.255CS..Hα-helixtrans-60.6-42.8174.8-176.6175.2178.600112E15 N65 R66 D71 L72 L73 T207 L211E15-M69 VanDerWaalsContact CD-SD 3.54Å; E15-M69 HydrophobicContact CG-CE 4.34Å; E15-M69 HydrophobicContact CG-CG 4.19Å; E15-M69 HydrophobicContact CG-SD 4.03Å; E15-M69 WeakPolarHBondContact OE1-CE 3.26Å; N65-M69 PolarHBondContact O-N 3.31Å; R66-M69 PolarHBondContact O-N 3.08Å; M69-D71 VanDerWaalsContact C-N 3.34Å; M69-D71 PolarHBondContact O-N 2.95Å; M69-L72 PolarHBondContact O-N 3.11Å; M69-L73 HydrophobicContact CE-CD1 4.23Å; M69-L73 HydrophobicContact CG-CD1 4.14Å; M69-L73 WeakPolarHBondContact O-CB 3.41Å; M69-L73 VanDerWaalsContact O-CG 3.29Å; M69-L73 WeakPolarHBondContact O-CG 3.49Å; M69-L73 PolarHBondContact O-N 2.76Å; M69-T207 HydrophobicContact CB-CG2 4.32Å; M69-T207 HydrophobicContact CG-CG2 4.03Å; M69-L211 HydrophobicContact CB-CD1 4.5Å; M69-L211 HydrophobicContact CG-CD1 4.46Å; M69-L211 HydrophobicContact SD-CD1 3.5Å; M69-L211 VanDerWaalsContact SD-CD1 3.5Å
70A96.6Very high94.6Very high4 Ų451.7 Ų51.73%0.03326%0.264CS..Hα-helixtrans-61.7-41.7175.400000112.4A12 E15 L16 R66 S67 V68 L73 T74A12-A70 WeakPolarHBondContact CB-O 3.32Å; A12-A70 WeakPolarHBondContact O-CB 3.26Å; E15-A70 HydrophobicContact CB-CB 3.92Å; L16-A70 HydrophobicContact CB-CB 3.86Å; R66-A70 PolarHBondContact O-N 2.72Å; S67-A70 PolarHBondContact O-N 3.44Å; V68-A70 VanDerWaalsContact C-N 3.34Å; V68-A70 PolarHBondContact O-N 2.86Å; A70-L73 PolarHBondContact O-N 3.44Å; A70-T74 WeakPolarHBondContact O-CB 3.16Å; A70-T74 PolarHBondContact O-N 3.43Å; A70-T74 PolarHBondContact O-OG1 3.25Å
71D96.1Very high94.3Very high82 Ų8249.4 Ų49.444%0.43925%0.254SS..Hα-helixtrans-64-46.9178.2-162.678.5000111.6S67 V68 M69 L73 T74 N75S67-D71 PolarHBondContact O-N 2.84Å; V68-D71 PolarHBondContact O-N 3.11Å; M69-D71 VanDerWaalsContact C-N 3.34Å; M69-D71 PolarHBondContact O-N 2.95Å; D71-L73 PolarHBondContact O-N 3.07Å; D71-T74 PolarHBondContact O-N 3.28Å; D71-N75 WeakPolarHBondContact O-CB 3.45Å; D71-N75 PolarHBondContact O-N 2.93Å; D71-N75 PolarHBondContact OD1-ND2 3.24Å; D71-N75 PolarHBondContact OD2-ND2 3.44Å; D71-N75 VanDerWaalsContact OD2-ND2 3.08Å
72L94.6Very high94.2Very high47 Ų4747.8 Ų47.825%0.24625%0.251CS..Iπ-helixtrans-58.1-45.7175.7-73.6170.6000112.3V68 M69 T74 H76 V77 T207V68-L72 HydrophobicContact CG1-CD1 4.08Å; V68-L72 HydrophobicContact CG1-CG 4.43Å; V68-L72 WeakPolarHBondContact O-CG 3.45Å; V68-L72 PolarHBondContact O-N 3Å; M69-L72 PolarHBondContact O-N 3.11Å; L72-T74 PolarHBondContact O-N 2.83Å; L72-H76 WeakPolarHBondContact O-CB 3.39Å; L72-H76 PolarHBondContact O-N 2.82Å; L72-H76 VanDerWaalsContact O-N 3.12Å; L72-V77 PolarHBondContact O-N 3.34Å; L72-T207 HydrophobicContact CD1-CG2 4.01Å
73L94.2Very high93.9Very high7 Ų751.7 Ų51.74%0.03727%0.268CS..Iπ-helixtrans-64.3-40.1179-74.3169.7000112.2R11 A12 E15 M69 A70 D71 A78 M204R11-L73 HydrophobicContact CB-CD1 4.11Å; R11-L73 HydrophobicContact CG-CD1 3.62Å; A12-L73 HydrophobicContact CB-CB 3.7Å; A12-L73 HydrophobicContact CB-CD1 4.37Å; E15-L73 HydrophobicContact CG-CD1 4.38Å; M69-L73 HydrophobicContact CE-CD1 4.23Å; M69-L73 HydrophobicContact CG-CD1 4.14Å; M69-L73 WeakPolarHBondContact O-CB 3.41Å; M69-L73 VanDerWaalsContact O-CG 3.29Å; M69-L73 WeakPolarHBondContact O-CG 3.49Å; M69-L73 PolarHBondContact O-N 2.76Å; A70-L73 PolarHBondContact O-N 3.44Å; D71-L73 PolarHBondContact O-N 3.07Å; L73-A78 WeakPolarHBondContact O-CB 3.27Å; L73-A78 PolarHBondContact O-N 3.49Å; L73-M204 HydrophobicContact CD2-SD 4.4Å
74T94.7Very high93.4Very high60 Ų6051.7 Ų51.737%0.36827%0.267SS..Iπ-helixtrans-78.3-54.3-177.3-530000111.8A12 A70 D71 L72A12-T74 WeakPolarHBondContact CB-OG1 3.35Å; A70-T74 WeakPolarHBondContact O-CB 3.16Å; A70-T74 PolarHBondContact O-N 3.43Å; A70-T74 PolarHBondContact O-OG1 3.25Å; D71-T74 PolarHBondContact O-N 3.28Å; L72-T74 PolarHBondContact O-N 2.83Å
75N93.5Very high93Very high81 Ų8146 Ų4643%0.43325%0.248SC..Iπ-helixtrans-86.3-26.8-167.2-64.5-26.4000113.1D71 V79D71-N75 WeakPolarHBondContact O-CB 3.45Å; D71-N75 PolarHBondContact O-N 2.93Å; D71-N75 PolarHBondContact OD1-ND2 3.24Å; D71-N75 PolarHBondContact OD2-ND2 3.44Å; D71-N75 VanDerWaalsContact OD2-ND2 3.08Å; N75-V79 WeakPolarHBondContact O-CB 3.38Å; N75-V79 VanDerWaalsContact O-CG2 3.26Å; N75-V79 WeakPolarHBondContact O-CG2 3.4Å
76H91.8Very high92.8Very high106 Ų10646.9 Ų46.949%0.49125%0.253SS..Iπ-helixtrans-105.9-58.7-179.5-62.8-91.6000111.4L72 K80L72-H76 WeakPolarHBondContact O-CB 3.39Å; L72-H76 PolarHBondContact O-N 2.82Å; L72-H76 VanDerWaalsContact O-N 3.12Å; H76-K80 VanDerWaalsContact O-CB 3.29Å; H76-K80 WeakPolarHBondContact O-CB 3.42Å; H76-K80 PolarHBondContact O-N 3.28Å; H76-K80 VanDerWaalsContact O-N 3.07Å
77V92.4Very high92.4Very high1 Ų147.2 Ų47.21%0.00626%0.256CS..Iπ-helixtrans-70-56.2-172.2-179.90000111.3C8 L72 V79 K80 V81 I200 I203C8-V77 HydrophobicContact CB-CG1 4.25Å; C8-V77 WeakPolarHBondContact SG-CG1 3.43Å; L72-V77 PolarHBondContact O-N 3.34Å; V77-V79 VanDerWaalsContact C-N 3.31Å; V77-V79 PolarHBondContact O-N 3.47Å; V77-K80 PolarHBondContact O-N 3.45Å; V77-K80 VanDerWaalsContact O-N 3.15Å; V77-V81 HydrophobicContact CG1-CG2 4.44Å; V77-V81 WeakPolarHBondContact O-CG2 3.36Å; V77-V81 PolarHBondContact O-N 3.45Å; V77-I200 HydrophobicContact CG1-CG1 4.25Å; V77-I200 HydrophobicContact CG1-CG2 3.57Å; V77-I203 HydrophobicContact CG2-CG2 3.96Å
78A92.4Very high91.9Very high4 Ų447.1 Ų47.13%0.03325%0.251CS..Iπ-helixtrans-63.4-36.4-176.700000112.5Q5 C8 R9 L73 V81 A82Q5-A78 HydrophobicContact CG-CB 4.46Å; C8-A78 HydrophobicContact CB-CB 4.3Å; R9-A78 HydrophobicContact CG-CB 4.09Å; L73-A78 WeakPolarHBondContact O-CB 3.27Å; L73-A78 PolarHBondContact O-N 3.49Å; A78-V81 PolarHBondContact O-N 2.85Å; A78-A82 WeakPolarHBondContact O-CB 3.45Å; A78-A82 PolarHBondContact O-N 3.38Å
79V92.2Very high91.6Very high85 Ų8547.7 Ų47.752%0.51525%0.248SC..Hα-helixtrans-63.5-44.5174.1175.50000111.3N75 V77 V81 A82 F83N75-V79 WeakPolarHBondContact O-CB 3.38Å; N75-V79 VanDerWaalsContact O-CG2 3.26Å; N75-V79 WeakPolarHBondContact O-CG2 3.4Å; V77-V79 VanDerWaalsContact C-N 3.31Å; V77-V79 PolarHBondContact O-N 3.47Å; V79-V81 PolarHBondContact O-N 3.43Å; V79-A82 WeakPolarHBondContact O-CB 3.36Å; V79-A82 PolarHBondContact O-N 2.81Å; V79-F83 PolarHBondContact O-N 2.79Å
80K89.4Confident91.4Very high88 Ų8853.4 Ų53.438%0.38327%0.269SS..Hα-helixtrans-63.3-43177.8-162.499.6175.9-164.90111.6H76 V77 A82 F83 L84 I196H76-K80 VanDerWaalsContact O-CB 3.29Å; H76-K80 WeakPolarHBondContact O-CB 3.42Å; H76-K80 PolarHBondContact O-N 3.28Å; H76-K80 VanDerWaalsContact O-N 3.07Å; V77-K80 PolarHBondContact O-N 3.45Å; V77-K80 VanDerWaalsContact O-N 3.15Å; K80-A82 VanDerWaalsContact C-N 3.35Å; K80-F83 PolarHBondContact O-N 2.89Å; K80-L84 WeakPolarHBondContact O-CG 3.18Å; K80-L84 PolarHBondContact O-N 2.89Å; K80-I196 HydrophobicContact CD-CG2 4.33Å; K80-I196 HydrophobicContact CG-CG2 3.67Å
81V90.4Very high90.9Very high0 Ų054.6 Ų54.60%027%0.274CS..Hα-helixtrans-63.1-41.8176178.80000111.1M1 L4 Q5 V77 A78 V79 L84 T85 I200M1-V81 HydrophobicContact CE-CG1 3.92Å; M1-V81 WeakPolarHBondContact O-CG1 3.37Å; L4-V81 HydrophobicContact CD2-CG2 4.14Å; L4-V81 HydrophobicContact CG-CG2 4.35Å; Q5-V81 HydrophobicContact CB-CB 4.3Å; Q5-V81 HydrophobicContact CB-CG1 3.7Å; Q5-V81 HydrophobicContact CG-CG1 4.44Å; V77-V81 HydrophobicContact CG1-CG2 4.44Å; V77-V81 WeakPolarHBondContact O-CG2 3.36Å; V77-V81 PolarHBondContact O-N 3.45Å; A78-V81 PolarHBondContact O-N 2.85Å; V79-V81 PolarHBondContact O-N 3.43Å; V81-L84 PolarHBondContact O-N 3.49Å; V81-T85 WeakPolarHBondContact O-CB 3.41Å; V81-T85 PolarHBondContact O-N 3.03Å; V81-T85 PolarHBondContact O-OG1 3.41Å; V81-I200 HydrophobicContact CG2-CD1 3.39Å; V81-I200 HydrophobicContact CG2-CG1 4.5Å
82A91Very high90.6Very high33 Ų3353.5 Ų53.527%0.27327%0.27SS..Hα-helixtrans-59-50.4176.200000111.4A78 V79 K80 L84 T85 D86A78-A82 WeakPolarHBondContact O-CB 3.45Å; A78-A82 PolarHBondContact O-N 3.38Å; V79-A82 WeakPolarHBondContact O-CB 3.36Å; V79-A82 PolarHBondContact O-N 2.81Å; K80-A82 VanDerWaalsContact C-N 3.35Å; A82-L84 VanDerWaalsContact C-N 3.31Å; A82-L84 PolarHBondContact O-N 3.16Å; A82-T85 WeakPolarHBondContact O-CB 3.27Å; A82-T85 PolarHBondContact O-N 3.37Å; A82-T85 VanDerWaalsContact O-N 3.17Å; A82-D86 PolarHBondContact O-N 2.88Å
83F89.5Confident90.5Very high114 Ų11457.8 Ų57.850%0.529%0.287SS..Hα-helixtrans-57.8-44.4179.1176.9-100.9000111.3V79 K80 T85 D86 Q87V79-F83 PolarHBondContact O-N 2.79Å; K80-F83 PolarHBondContact O-N 2.89Å; F83-T85 VanDerWaalsContact C-N 3.34Å; F83-T85 PolarHBondContact O-N 2.88Å; F83-D86 PolarHBondContact O-N 3.15Å; F83-Q87 HydrophobicContact CD1-CG 4.14Å; F83-Q87 HydrophobicContact CE1-CG 3.76Å; F83-Q87 HydrophobicContact CE2-CG 4.18Å; F83-Q87 HydrophobicContact CZ-CG 3.79Å; F83-Q87 VanDerWaalsContact O-CG 3.24Å; F83-Q87 WeakPolarHBondContact O-CG 3.4Å; F83-Q87 PolarHBondContact O-N 2.87Å
84L86.7Confident90.3Very high3 Ų366.5 Ų66.52%0.01632%0.319CS..Hα-helixtrans-64.5-40.1177.5-73.1168.3000113.4M1 K80 V81 A82 D86 Q87 M88 R193 I196M1-L84 HydrophobicContact CE-CB 3.91Å; M1-L84 HydrophobicContact CE-CD1 3.86Å; K80-L84 WeakPolarHBondContact O-CG 3.18Å; K80-L84 PolarHBondContact O-N 2.89Å; V81-L84 PolarHBondContact O-N 3.49Å; A82-L84 VanDerWaalsContact C-N 3.31Å; A82-L84 PolarHBondContact O-N 3.16Å; L84-D86 VanDerWaalsContact C-N 3.32Å; L84-D86 PolarHBondContact O-N 2.92Å; L84-Q87 PolarHBondContact O-N 3.5Å; L84-M88 WeakPolarHBondContact O-CB 3.35Å; L84-M88 VanDerWaalsContact O-CG 3.32Å; L84-M88 WeakPolarHBondContact O-CG 3.29Å; L84-M88 PolarHBondContact O-N 3.01Å; L84-R193 HydrophobicContact CD2-CB 4.37Å; L84-I196 HydrophobicContact CD1-CB 3.61Å; L84-I196 HydrophobicContact CD1-CD1 4.09Å; L84-I196 HydrophobicContact CD1-CG1 4.45Å; L84-I196 HydrophobicContact CD1-CG2 3.48Å; L84-I196 VanDerWaalsContact CD1-CG2 3.48Å; L84-I196 HydrophobicContact CD2-CB 4.39Å; L84-I196 HydrophobicContact CD2-CD1 3.28Å; L84-I196 HydrophobicContact CD2-CG1 4.38Å; L84-I196 HydrophobicContact CG-CD1 4.11Å; L84-I196 HydrophobicContact CG-CG2 4.45Å
85T88.4Confident90Very high25 Ų2564.3 Ų64.315%0.15331%0.307CS..Hα-helixtrans-60.3-45.6178.1-55.90000110.3M1 V81 A82 F83 M88 Q89M1-T85 WeakPolarHBondContact CB-OG1 3.45Å; V81-T85 WeakPolarHBondContact O-CB 3.41Å; V81-T85 PolarHBondContact O-N 3.03Å; V81-T85 PolarHBondContact O-OG1 3.41Å; A82-T85 WeakPolarHBondContact O-CB 3.27Å; A82-T85 PolarHBondContact O-N 3.37Å; A82-T85 VanDerWaalsContact O-N 3.17Å; F83-T85 VanDerWaalsContact C-N 3.34Å; F83-T85 PolarHBondContact O-N 2.88Å; T85-M88 PolarHBondContact O-N 2.84Å; T85-Q89 VanDerWaalsContact O-CG 3.31Å; T85-Q89 WeakPolarHBondContact O-CG 3.37Å; T85-Q89 PolarHBondContact O-N 3.04Å
86D90.3Very high89.9Confident59 Ų5964.4 Ų64.432%0.31631%0.307SS..Hα-helixtrans-62.7-45.1175.3179.559.1000112A82 F83 L84 M88 Q89 R90A82-D86 PolarHBondContact O-N 2.88Å; F83-D86 PolarHBondContact O-N 3.15Å; L84-D86 VanDerWaalsContact C-N 3.32Å; L84-D86 PolarHBondContact O-N 2.92Å; D86-M88 PolarHBondContact O-N 3.39Å; D86-Q89 PolarHBondContact O-N 3.18Å; D86-R90 WeakPolarHBondContact O-CG 3.17Å; D86-R90 PolarHBondContact O-N 3.07Å; D86-R90 IonicContact OD1-NE 3.9Å; D86-R90 PolarHBondContact OD1-NE 3.25Å; D86-R90 IonicContact OD1-NH2 2.71Å; D86-R90 IonicContact OD2-CZ 2.89Å; D86-R90 IonicContact OD2-NE 3.07Å; D86-R90 PolarHBondContact OD2-NE 3.06Å; D86-R90 IonicContact OD2-NH2 3.23Å; D86-R90 PolarHBondContact OD2-NH2 3.46Å
87Q87.2Confident89.9Confident41 Ų4165.7 Ų65.719%0.19231%0.311CS..Hα-helixtrans-60.8-44.5178.2-71.6-63.9-56.200112.7F83 L84 R90 I91 R193F83-Q87 HydrophobicContact CD1-CG 4.14Å; F83-Q87 HydrophobicContact CE1-CG 3.76Å; F83-Q87 HydrophobicContact CE2-CG 4.18Å; F83-Q87 HydrophobicContact CZ-CG 3.79Å; F83-Q87 VanDerWaalsContact O-CG 3.24Å; F83-Q87 WeakPolarHBondContact O-CG 3.4Å; F83-Q87 PolarHBondContact O-N 2.87Å; L84-Q87 PolarHBondContact O-N 3.5Å; Q87-R90 PolarHBondContact O-N 2.9Å; Q87-I91 WeakPolarHBondContact O-CG1 3.5Å; Q87-I91 PolarHBondContact O-N 3.18Å; Q87-I91 VanDerWaalsContact O-N 3.08Å; Q87-R193 VanDerWaalsContact OE1-NH1 3.16Å
88M86.8Confident89.6Confident48 Ų4868.7 Ų68.724%0.23633%0.33CS..Hα-helixtrans-60.5-46.9176.1-77.1179.760.900110.9M1 L84 T85 D86 R90 I91 T92 Y190M1-M88 HydrophobicContact CG-SD 4.24Å; L84-M88 WeakPolarHBondContact O-CB 3.35Å; L84-M88 VanDerWaalsContact O-CG 3.32Å; L84-M88 WeakPolarHBondContact O-CG 3.29Å; L84-M88 PolarHBondContact O-N 3.01Å; T85-M88 PolarHBondContact O-N 2.84Å; D86-M88 PolarHBondContact O-N 3.39Å; M88-R90 VanDerWaalsContact C-N 3.31Å; M88-R90 PolarHBondContact O-N 3.3Å; M88-I91 PolarHBondContact O-N 3.07Å; M88-I91 VanDerWaalsContact O-N 3.17Å; M88-T92 PolarHBondContact O-N 3.25Å; M88-T92 PolarHBondContact O-OG1 2.93Å; M88-Y190 HydrophobicContact CB-CD1 4.42Å; M88-Y190 HydrophobicContact CB-CE1 3.85Å; M88-Y190 HydrophobicContact CE-CD1 3.71Å; M88-Y190 HydrophobicContact CE-CE1 3.83Å; M88-Y190 HydrophobicContact CG-CD1 3.85Å; M88-Y190 HydrophobicContact CG-CE1 3.8Å; M88-Y190 PolarHBondContact O-OH 3.45Å; M88-Y190 HydrophobicContact SD-CD1 4.35Å
89Q90.2Very high89.4Confident97 Ų9773 Ų7345%0.45335%0.346SS..Hα-helixtrans-60.5-38.3177-72.9178.10.200112.7T85 D86 T92 K93T85-Q89 VanDerWaalsContact O-CG 3.31Å; T85-Q89 WeakPolarHBondContact O-CG 3.37Å; T85-Q89 PolarHBondContact O-N 3.04Å; D86-Q89 PolarHBondContact O-N 3.18Å; Q89-T92 PolarHBondContact O-N 2.94Å; Q89-K93 WeakPolarHBondContact O-CB 3.48Å; Q89-K93 VanDerWaalsContact O-CG 3.31Å; Q89-K93 WeakPolarHBondContact O-CG 3.47Å; Q89-K93 PolarHBondContact O-N 3.32Å
90R90.4Very high89.3Confident137 Ų13774.4 Ų74.452%0.51735%0.346SS..Hα-helixtrans-63.7-41.8175.6-71.4177.4-165.9-125.24.1111.9D86 Q87 M88 R94D86-R90 WeakPolarHBondContact O-CG 3.17Å; D86-R90 PolarHBondContact O-N 3.07Å; D86-R90 IonicContact OD1-NE 3.9Å; D86-R90 PolarHBondContact OD1-NE 3.25Å; D86-R90 IonicContact OD1-NH2 2.71Å; D86-R90 IonicContact OD2-CZ 2.89Å; D86-R90 IonicContact OD2-NE 3.07Å; D86-R90 PolarHBondContact OD2-NE 3.06Å; D86-R90 IonicContact OD2-NH2 3.23Å; D86-R90 PolarHBondContact OD2-NH2 3.46Å; Q87-R90 PolarHBondContact O-N 2.9Å; M88-R90 VanDerWaalsContact C-N 3.31Å; M88-R90 PolarHBondContact O-N 3.3Å; R90-R94 WeakPolarHBondContact O-CG 3.48Å; R90-R94 PolarHBondContact O-N 3.26Å
91I87.6Confident89.2Confident29 Ų2976.3 Ų76.315%0.14936%0.36CS..Hα-helixtrans-64.2-48.5176.6-67163000110Q87 M88 K93 R94 A95 I186 V189 Y190Q87-I91 WeakPolarHBondContact O-CG1 3.5Å; Q87-I91 PolarHBondContact O-N 3.18Å; Q87-I91 VanDerWaalsContact O-N 3.08Å; M88-I91 PolarHBondContact O-N 3.07Å; M88-I91 VanDerWaalsContact O-N 3.17Å; I91-K93 VanDerWaalsContact C-N 3.34Å; I91-K93 PolarHBondContact O-N 2.88Å; I91-R94 PolarHBondContact O-N 3.24Å; I91-R94 VanDerWaalsContact O-N 3.16Å; I91-A95 PolarHBondContact O-N 2.61Å; I91-I186 HydrophobicContact CG2-CG2 4.1Å; I91-V189 HydrophobicContact CD1-CG1 3.82Å; I91-Y190 HydrophobicContact CG2-CE2 3.8Å
92T88.7Confident88.9Confident59 Ų5977.9 Ų77.936%0.36237%0.371SS..Hα-helixtrans-56.1-47.9177.6-42.30000111.4M88 Q89 R94 A95 I96 Y190M88-T92 PolarHBondContact O-N 3.25Å; M88-T92 PolarHBondContact O-OG1 2.93Å; Q89-T92 PolarHBondContact O-N 2.94Å; T92-R94 VanDerWaalsContact C-N 3.32Å; T92-R94 PolarHBondContact O-N 3.39Å; T92-A95 PolarHBondContact O-N 3.26Å; T92-I96 HydrophobicContact CG2-CD1 4.01Å; T92-I96 WeakPolarHBondContact O-CG1 3.36Å; T92-I96 PolarHBondContact O-N 3.41Å; T92-Y190 WeakPolarHBondContact CA-OH 3.15Å; T92-Y190 PolarHBondContact N-OH 3.15Å; T92-Y190 VanDerWaalsContact N-OH 3.14Å; T92-Y190 PolarHBondContact OG1-OH 3.32Å
93K93.1Very high88.7Confident136 Ų13681.4 Ų81.459%0.59138%0.381SS*.Hα-helixtrans-61.9-38179.2-75.8175.4-179.2175.50112.5Q89 I91 K97Q89-K93 WeakPolarHBondContact O-CB 3.48Å; Q89-K93 VanDerWaalsContact O-CG 3.31Å; Q89-K93 WeakPolarHBondContact O-CG 3.47Å; Q89-K93 PolarHBondContact O-N 3.32Å; I91-K93 VanDerWaalsContact C-N 3.34Å; I91-K93 PolarHBondContact O-N 2.88Å; K93-K97 VanDerWaalsContact O-CG 3.32Å; K93-K97 WeakPolarHBondContact O-CG 3.29Å; K93-K97 PolarHBondContact O-N 3.41Å
94R89.6Confident88.8Confident191 Ų19177 Ų7772%0.72137%0.369SS*.Hα-helixtrans-68.2-45.6176.2-75.5180180-169.3-0.5111.3R90 I91 T92 I96 K97 T98R90-R94 WeakPolarHBondContact O-CG 3.48Å; R90-R94 PolarHBondContact O-N 3.26Å; I91-R94 PolarHBondContact O-N 3.24Å; I91-R94 VanDerWaalsContact O-N 3.16Å; T92-R94 VanDerWaalsContact C-N 3.32Å; T92-R94 PolarHBondContact O-N 3.39Å; R94-I96 VanDerWaalsContact C-N 3.34Å; R94-I96 PolarHBondContact O-N 2.76Å; R94-K97 PolarHBondContact O-N 3.32Å; R94-T98 PolarHBondContact O-N 2.86Å; R94-T98 PolarHBondContact O-OG1 3.47Å; R94-T98 VanDerWaalsContact O-OG1 3.12Å
95A88.2Confident88.8Confident13 Ų1379.6 Ų79.611%0.10739%0.39CS..Hα-helixtrans-57.1-46.2177.800000112.1I91 T92 K97 T98 Y99 Y178 I186I91-A95 PolarHBondContact O-N 2.61Å; T92-A95 PolarHBondContact O-N 3.26Å; A95-K97 PolarHBondContact O-N 2.84Å; A95-T98 PolarHBondContact O-N 3.35Å; A95-Y99 PolarHBondContact O-N 3.25Å; A95-Y178 PolarHBondContact O-OH 2.81Å; A95-I186 HydrophobicContact CB-CD1 3.9Å
96I90.9Very high88.7Confident84 Ų8479.9 Ų79.943%0.43139%0.393SS..Hα-helixtrans-62.4-42.7177.3-67.3168.3000111.4T92 R94 T98 Y99 Q100T92-I96 HydrophobicContact CG2-CD1 4.01Å; T92-I96 WeakPolarHBondContact O-CG1 3.36Å; T92-I96 PolarHBondContact O-N 3.41Å; R94-I96 VanDerWaalsContact C-N 3.34Å; R94-I96 PolarHBondContact O-N 2.76Å; I96-T98 VanDerWaalsContact C-N 3.35Å; I96-T98 PolarHBondContact O-N 3.06Å; I96-Y99 PolarHBondContact O-N 3.46Å; I96-Q100 HydrophobicContact CG2-CG 4.34Å; I96-Q100 VanDerWaalsContact O-CG 3.31Å; I96-Q100 WeakPolarHBondContact O-CG 3.31Å; I96-Q100 PolarHBondContact O-N 2.96Å
97K91.6Very high88.8Confident132 Ų13279.2 Ų79.257%0.57439%0.393SS*.Hα-helixtrans-62.8-40.4178.3-77.7179.7177.4-170.10112.2K93 R94 A95 Y99 Q100 L101K93-K97 VanDerWaalsContact O-CG 3.32Å; K93-K97 WeakPolarHBondContact O-CG 3.29Å; K93-K97 PolarHBondContact O-N 3.41Å; R94-K97 PolarHBondContact O-N 3.32Å; A95-K97 PolarHBondContact O-N 2.84Å; K97-Y99 VanDerWaalsContact C-N 3.35Å; K97-Y99 PolarHBondContact O-N 2.96Å; K97-Q100 PolarHBondContact O-N 3.04Å; K97-L101 VanDerWaalsContact O-CG 3.32Å; K97-L101 WeakPolarHBondContact O-CG 3.47Å; K97-L101 PolarHBondContact O-N 3.27Å
98T87Confident88.9Confident65 Ų6582.1 Ų82.140%0.39941%0.409SS..Hα-helixtrans-59.8-45.6176.7-55.50000111.5R94 A95 I96 L101 C102R94-T98 PolarHBondContact O-N 2.86Å; R94-T98 PolarHBondContact O-OG1 3.47Å; R94-T98 VanDerWaalsContact O-OG1 3.12Å; A95-T98 PolarHBondContact O-N 3.35Å; I96-T98 VanDerWaalsContact C-N 3.35Å; I96-T98 PolarHBondContact O-N 3.06Å; T98-L101 PolarHBondContact O-N 3.08Å; T98-C102 PolarHBondContact O-N 2.73Å; T98-C102 PolarHBondContact O-SG 3.3Å; T98-C102 VanDerWaalsContact O-SG 3.35Å
99Y87.3Confident89.1Confident95 Ų9580.3 Ų80.337%0.37340%0.403SS..Hα-helixtrans-60.4-46.7174.4170.4-101.8000112.1A95 I96 K97 L101 C102 H103 L175A95-Y99 PolarHBondContact O-N 3.25Å; I96-Y99 PolarHBondContact O-N 3.46Å; K97-Y99 VanDerWaalsContact C-N 3.35Å; K97-Y99 PolarHBondContact O-N 2.96Å; Y99-L101 VanDerWaalsContact C-N 3.29Å; Y99-L101 PolarHBondContact O-N 3.24Å; Y99-C102 PolarHBondContact O-N 2.99Å; Y99-H103 PolarHBondContact O-N 3.42Å; Y99-H103 VanDerWaalsContact O-N 3.08Å; Y99-L175 HydrophobicContact CD2-CD2 4.06Å; Y99-L175 HydrophobicContact CE2-CD2 3.95Å
100Q90.7Very high89.2Confident113 Ų11378.8 Ų78.853%0.52840%0.395SS..Hα-helixtrans-61-36.2179-73.4173.4-13.500112.9I96 K97 G104I96-Q100 HydrophobicContact CG2-CG 4.34Å; I96-Q100 VanDerWaalsContact O-CG 3.31Å; I96-Q100 WeakPolarHBondContact O-CG 3.31Å; I96-Q100 PolarHBondContact O-N 2.96Å; K97-Q100 PolarHBondContact O-N 3.04Å; Q100-G104 PolarHBondContact O-N 3.12Å
101L88.7Confident89.3Confident129 Ų12977 Ų7768%0.67540%0.396SS*.Hα-helixtrans-63.4-44.9176.2-74167.7000111.6K97 T98 Y99 G104 A105K97-L101 VanDerWaalsContact O-CG 3.32Å; K97-L101 WeakPolarHBondContact O-CG 3.47Å; K97-L101 PolarHBondContact O-N 3.27Å; T98-L101 PolarHBondContact O-N 3.08Å; Y99-L101 VanDerWaalsContact C-N 3.29Å; Y99-L101 PolarHBondContact O-N 3.24Å; L101-G104 PolarHBondContact O-N 3.49Å; L101-A105 PolarHBondContact O-N 2.62Å
102C83.2Confident89.5Confident32 Ų3282.6 Ų82.622%0.21642%0.419CS..Hα-helixtrans-62.9-46.8178.3-60.30000111.3T98 Y99 G104 A105 C106T98-C102 PolarHBondContact O-N 2.73Å; T98-C102 PolarHBondContact O-SG 3.3Å; T98-C102 VanDerWaalsContact O-SG 3.35Å; Y99-C102 PolarHBondContact O-N 2.99Å; C102-G104 PolarHBondContact O-N 2.81Å; C102-A105 PolarHBondContact O-N 3.46Å; C102-C106 PolarHBondContact O-N 3.12Å
103H87.6Confident89.7Confident107 Ų10781.3 Ų81.350%0.49541%0.408SS..Hα-helixtrans-64-41.4177.7-175-81.2000112.5Y99 C106 S107Y99-H103 PolarHBondContact O-N 3.42Å; Y99-H103 VanDerWaalsContact O-N 3.08Å; H103-C106 PolarHBondContact O-N 3.42Å; H103-S107 PolarHBondContact CE1-OG 3.35Å; H103-S107 PolarHBondContact ND1-OG 3.27Å; H103-S107 WeakPolarHBondContact O-CB 3.08Å; H103-S107 PolarHBondContact O-N 2.85Å; H103-S107 PolarHBondContact O-OG 3.24Å
104G90Very high89.7Confident23 Ų2380 Ų8024%0.23740%0.402CS..Hα-helixtrans-64.8-38.2179.500000113.1Q100 L101 C102 S107 N108Q100-G104 PolarHBondContact O-N 3.12Å; L101-G104 PolarHBondContact O-N 3.49Å; C102-G104 PolarHBondContact O-N 2.81Å; G104-S107 PolarHBondContact O-N 3.29Å; G104-N108 WeakPolarHBondContact O-CB 3.42Å; G104-N108 VanDerWaalsContact O-CG 3.28Å; G104-N108 PolarHBondContact O-N 2.93Å; G104-N108 PolarHBondContact O-ND2 3.37Å; G104-N108 VanDerWaalsContact O-ND2 3.1Å
105A87Confident89.9Confident57 Ų5775.3 Ų75.347%0.47139%0.391SS..Hα-helixtrans-61.1-47.2176.500000111.9L101 C102 N108 A109L101-A105 PolarHBondContact O-N 2.62Å; C102-A105 PolarHBondContact O-N 3.46Å; A105-N108 PolarHBondContact O-N 2.86Å; A105-A109 PolarHBondContact O-N 3.28Å
106C87.4Confident90Very high30 Ų3075.4 Ų75.420%0.20339%0.392CS..Hα-helixtrans-63.7-45.8177.3-173.50000112.1C102 H103 N108 A109 E110 A171C102-C106 PolarHBondContact O-N 3.12Å; H103-C106 PolarHBondContact O-N 3.42Å; C106-N108 VanDerWaalsContact C-N 3.31Å; C106-N108 PolarHBondContact O-N 3.07Å; C106-A109 PolarHBondContact O-N 3.13Å; C106-E110 PolarHBondContact O-N 3.35Å; C106-A171 HydrophobicContact CB-CB 3.94Å
107S91.1Very high89.9Confident45 Ų4574.8 Ų74.832%0.31539%0.387SS..Hα-helixtrans-59.7-40.8179.6-590000112.3H103 G104 E110 L111H103-S107 PolarHBondContact CE1-OG 3.35Å; H103-S107 PolarHBondContact ND1-OG 3.27Å; H103-S107 WeakPolarHBondContact O-CB 3.08Å; H103-S107 PolarHBondContact O-N 2.85Å; H103-S107 PolarHBondContact O-OG 3.24Å; G104-S107 PolarHBondContact O-N 3.29Å; S107-E110 PolarHBondContact O-N 3.28Å; S107-L111 PolarHBondContact O-N 3.43Å; S107-L111 VanDerWaalsContact O-N 3.09Å
108N90.6Very high90Very high102 Ų10271.7 Ų71.755%0.54538%0.38SS..Hα-helixtrans-67.6-38.1178.1-76.6-33.7000112.6G104 A105 C106 L111 K112G104-N108 WeakPolarHBondContact O-CB 3.42Å; G104-N108 VanDerWaalsContact O-CG 3.28Å; G104-N108 PolarHBondContact O-N 2.93Å; G104-N108 PolarHBondContact O-ND2 3.37Å; G104-N108 VanDerWaalsContact O-ND2 3.1Å; A105-N108 PolarHBondContact O-N 2.86Å; C106-N108 VanDerWaalsContact C-N 3.31Å; C106-N108 PolarHBondContact O-N 3.07Å; N108-L111 PolarHBondContact O-N 3.46Å; N108-K112 WeakPolarHBondContact O-CG 3.25Å; N108-K112 PolarHBondContact O-N 3.16Å; N108-K112 VanDerWaalsContact O-N 3.14Å
109A89.7Confident90Very high11 Ų1172.5 Ų72.59%0.09138%0.379CS..Hα-helixtrans-66.9-4217700000111.4A105 C106 L111 K112 F113 Y164 C167A105-A109 PolarHBondContact O-N 3.28Å; C106-A109 PolarHBondContact O-N 3.13Å; A109-L111 PolarHBondContact O-N 3.09Å; A109-K112 PolarHBondContact O-N 3.36Å; A109-F113 PolarHBondContact O-N 3.39Å; A109-Y164 HydrophobicContact CB-CD2 4.24Å; A109-C167 HydrophobicContact CB-CB 3.49Å; A109-C167 VanDerWaalsContact CB-CB 3.49Å
110E92.2Very high90.1Very high65 Ų6569.9 Ų69.930%0.30437%0.37SS..Hα-helixtrans-59.7-44.5175.1-169.7-172.6168.200111.8C106 S107 K112 F113 K114 Y164C106-E110 PolarHBondContact O-N 3.35Å; S107-E110 PolarHBondContact O-N 3.28Å; E110-K112 PolarHBondContact O-N 2.89Å; E110-F113 PolarHBondContact O-N 2.95Å; E110-K114 HydrophobicContact CG-CD 4.47Å; E110-K114 WeakPolarHBondContact O-CG 3.37Å; E110-K114 PolarHBondContact O-N 3.26Å; E110-K114 WeakPolarHBondContact OE1-CE 3.14Å; E110-K114 IonicContact OE1-NZ 3.83Å; E110-K114 PolarHBondContact OE1-NZ 3Å; E110-Y164 HydrophobicContact CB-CD2 4.08Å; E110-Y164 HydrophobicContact CB-CE2 3.71Å; E110-Y164 HydrophobicContact CG-CE2 4.03Å
111L93.8Very high90Very high100 Ų10067.3 Ų67.352%0.52436%0.359SS..Hα-helixtrans-62.1-43.3177.9-176.5133.4000112S107 N108 A109 F113 K114 L115S107-L111 PolarHBondContact O-N 3.43Å; S107-L111 VanDerWaalsContact O-N 3.09Å; N108-L111 PolarHBondContact O-N 3.46Å; A109-L111 PolarHBondContact O-N 3.09Å; L111-F113 VanDerWaalsContact C-N 3.32Å; L111-F113 PolarHBondContact O-N 2.96Å; L111-K114 PolarHBondContact O-N 3.34Å; L111-L115 HydrophobicContact CD2-CD1 3.64Å; L111-L115 HydrophobicContact CD2-CG 4.46Å; L111-L115 HydrophobicContact CG-CD1 4.34Å; L111-L115 WeakPolarHBondContact O-CB 3.32Å; L111-L115 VanDerWaalsContact O-CG 3.29Å; L111-L115 WeakPolarHBondContact O-CG 3.3Å; L111-L115 PolarHBondContact O-N 3.13Å
112K91.7Very high89.9Confident146 Ų14668.5 Ų68.564%0.63536%0.355SS*.Hα-helixtrans-61.4-41.4175.2-73.2175.4-178.3177.30111.8N108 A109 E110 L115 A116N108-K112 WeakPolarHBondContact O-CG 3.25Å; N108-K112 PolarHBondContact O-N 3.16Å; N108-K112 VanDerWaalsContact O-N 3.14Å; A109-K112 PolarHBondContact O-N 3.36Å; E110-K112 PolarHBondContact O-N 2.89Å; K112-L115 PolarHBondContact O-N 3.41Å; K112-A116 WeakPolarHBondContact O-CB 3.41Å; K112-A116 PolarHBondContact O-N 3.32Å
113F92.3Very high89.9Confident31 Ų3169.5 Ų69.514%0.13636%0.355CS..Hα-helixtrans-62.1-50.9175.8169-116.9000111.8A109 E110 L111 L115 A116 E117 R161 Y164A109-F113 PolarHBondContact O-N 3.39Å; E110-F113 PolarHBondContact O-N 2.95Å; L111-F113 VanDerWaalsContact C-N 3.32Å; L111-F113 PolarHBondContact O-N 2.96Å; F113-L115 VanDerWaalsContact C-N 3.3Å; F113-L115 PolarHBondContact O-N 3.29Å; F113-A116 PolarHBondContact O-N 3.08Å; F113-E117 WeakPolarHBondContact O-CB 3.49Å; F113-E117 PolarHBondContact O-N 2.84Å; F113-R161 HydrophobicContact CD2-CB 3.82Å; F113-R161 HydrophobicContact CD2-CG 4.38Å; F113-R161 HydrophobicContact CE2-CB 3.62Å; F113-R161 HydrophobicContact CE2-CG 3.9Å; F113-R161 HydrophobicContact CZ-CG 4.38Å; F113-Y164 HydrophobicContact CB-CG 4.27Å; F113-Y164 AromaticContact CD1-CD1 3.95Å; F113-Y164 HydrophobicContact CD1-CD1 3.95Å; F113-Y164 HydrophobicContact CD1-CE1 4.42Å; F113-Y164 HydrophobicContact CD1-CG 4.47Å; F113-Y164 HydrophobicContact CG-CD1 4.29Å; F113-Y164 HydrophobicContact CG-CG 4.48Å
114K93.9Very high89.5Confident108 Ų10867.6 Ų67.647%0.4735%0.347SS..Hα-helixtrans-58.3-40.2177.6-73.6-179.5-177.9169.20112.6E110 L111 E117 T118E110-K114 HydrophobicContact CG-CD 4.47Å; E110-K114 WeakPolarHBondContact O-CG 3.37Å; E110-K114 PolarHBondContact O-N 3.26Å; E110-K114 WeakPolarHBondContact OE1-CE 3.14Å; E110-K114 IonicContact OE1-NZ 3.83Å; E110-K114 PolarHBondContact OE1-NZ 3Å; L111-K114 PolarHBondContact O-N 3.34Å; K114-E117 PolarHBondContact O-N 2.84Å; K114-T118 WeakPolarHBondContact O-CB 3.33Å; K114-T118 PolarHBondContact O-N 3.14Å; K114-T118 PolarHBondContact O-OG1 3.18Å
115L93.1Very high89.2Confident93 Ų9373.1 Ų73.149%0.48737%0.371SS..Hα-helixtrans-64.2-45.8176.7-74.5172.7000112.1L111 K112 F113 E117 T118 Q119L111-L115 HydrophobicContact CD2-CD1 3.64Å; L111-L115 HydrophobicContact CD2-CG 4.46Å; L111-L115 HydrophobicContact CG-CD1 4.34Å; L111-L115 WeakPolarHBondContact O-CB 3.32Å; L111-L115 VanDerWaalsContact O-CG 3.29Å; L111-L115 WeakPolarHBondContact O-CG 3.3Å; L111-L115 PolarHBondContact O-N 3.13Å; K112-L115 PolarHBondContact O-N 3.41Å; F113-L115 VanDerWaalsContact C-N 3.3Å; F113-L115 PolarHBondContact O-N 3.29Å; L115-E117 VanDerWaalsContact C-N 3.33Å; L115-T118 PolarHBondContact O-N 2.97Å; L115-Q119 WeakPolarHBondContact O-CG 3.45Å; L115-Q119 PolarHBondContact O-N 3.48Å
116A90.3Very high88.7Confident15 Ų1574.2 Ų74.212%0.12438%0.375CS..Hα-helixtrans-64.2-39.3177.800000111.7K112 F113 Q119 K120 A160K112-A116 WeakPolarHBondContact O-CB 3.41Å; K112-A116 PolarHBondContact O-N 3.32Å; F113-A116 PolarHBondContact O-N 3.08Å; A116-Q119 PolarHBondContact O-N 3.16Å; A116-K120 PolarHBondContact O-N 3.47Å; A116-A160 HydrophobicContact CB-CB 3.65Å
117E89.9Confident87.8Confident71 Ų7177.3 Ų77.333%0.33238%0.383SS..Hα-helixtrans-66.5-42.1175.9-172.3165-118.400112.1F113 K114 L115 Q119 K120 N121F113-E117 WeakPolarHBondContact O-CB 3.49Å; F113-E117 PolarHBondContact O-N 2.84Å; K114-E117 PolarHBondContact O-N 2.84Å; L115-E117 VanDerWaalsContact C-N 3.33Å; E117-Q119 VanDerWaalsContact C-N 3.3Å; E117-Q119 PolarHBondContact O-N 3.42Å; E117-K120 WeakPolarHBondContact O-CB 3.34Å; E117-K120 PolarHBondContact O-N 3.34Å; E117-N121 VanDerWaalsContact O-CG 3.27Å; E117-N121 PolarHBondContact O-N 3.11Å; E117-N121 PolarHBondContact O-OD1 3.35Å
118T92.2Very high86.6Confident67 Ų6777.7 Ų77.741%0.41138%0.384SS..Hα-helixtrans-63.4-35.8175.8-550000111.9K114 L115 R122K114-T118 WeakPolarHBondContact O-CB 3.33Å; K114-T118 PolarHBondContact O-N 3.14Å; K114-T118 PolarHBondContact O-OG1 3.18Å; L115-T118 PolarHBondContact O-N 2.97Å; T118-R122 WeakPolarHBondContact O-CB 3.45Å; T118-R122 VanDerWaalsContact O-CG 3.3Å; T118-R122 WeakPolarHBondContact O-CG 3.26Å; T118-R122 PolarHBondContact O-N 2.98Å; T118-R122 PolarHBondContact O-NE 2.98Å
119Q88.3Confident85.3Confident83 Ų8382.8 Ų82.839%0.38840%0.401SS..Hα-helixtrans-68-41.3174.3-73.1-179.32.100111.9L115 A116 E117 F123 Y153L115-Q119 WeakPolarHBondContact O-CG 3.45Å; L115-Q119 PolarHBondContact O-N 3.48Å; A116-Q119 PolarHBondContact O-N 3.16Å; E117-Q119 VanDerWaalsContact C-N 3.3Å; E117-Q119 PolarHBondContact O-N 3.42Å; Q119-F123 PolarHBondContact O-N 3.25Å; Q119-Y153 HydrophobicContact CB-CD1 4.05Å; Q119-Y153 HydrophobicContact CB-CE1 4.17Å
120K88.5Confident83.6Confident40 Ų4091.6 Ų91.617%0.17444%0.438CS..Hα-helixtrans-61-50.9175-174.2-150.172.1179.30111A116 E117 R122 F123 E124 A157A116-K120 PolarHBondContact O-N 3.47Å; E117-K120 WeakPolarHBondContact O-CB 3.34Å; E117-K120 PolarHBondContact O-N 3.34Å; K120-R122 PolarHBondContact O-N 2.82Å; K120-F123 PolarHBondContact O-N 3.43Å; K120-F123 VanDerWaalsContact O-N 3.08Å; K120-E124 VanDerWaalsContact CE-OE1 3.25Å; K120-E124 WeakPolarHBondContact CE-OE1 3.42Å; K120-E124 IonicContact NZ-OE1 2.64Å; K120-E124 PolarHBondContact O-N 2.87Å; K120-A157 HydrophobicContact CB-CB 4.15Å; K120-A157 HydrophobicContact CD-CB 4.07Å; K120-A157 HydrophobicContact CG-CB 4.42Å
121N88.2Confident81.8Confident59 Ų5993.8 Ų93.832%0.31645%0.45SS..Hα-helixtrans-61.8-41.1-180-65.9-2.7000111.7E117 F123 E124 D125E117-N121 VanDerWaalsContact O-CG 3.27Å; E117-N121 PolarHBondContact O-N 3.11Å; E117-N121 PolarHBondContact O-OD1 3.35Å; N121-F123 PolarHBondContact O-N 3.08Å; N121-E124 WeakPolarHBondContact O-CB 3.43Å; N121-E124 PolarHBondContact O-N 3.26Å; N121-E124 VanDerWaalsContact O-N 3.11Å; N121-D125 WeakPolarHBondContact O-CB 3.36Å; N121-D125 PolarHBondContact O-N 2.58Å
122R86.6Confident79.7Confident154 Ų15492.2 Ų92.258%0.58146%0.458SS*.Hα-helixtrans-58.2-35.9174.5-82.4-172.9-82.2-174.3-9.5113T118 K120 S126T118-R122 WeakPolarHBondContact O-CB 3.45Å; T118-R122 VanDerWaalsContact O-CG 3.3Å; T118-R122 WeakPolarHBondContact O-CG 3.26Å; T118-R122 PolarHBondContact O-N 2.98Å; T118-R122 PolarHBondContact O-NE 2.98Å; K120-R122 PolarHBondContact O-N 2.82Å; R122-S126 WeakPolarHBondContact O-CB 3.33Å; R122-S126 PolarHBondContact O-N 2.89Å
123F82.6Confident77.3Confident52 Ų5291.3 Ų91.323%0.22847%0.469CS..Hα-helixtrans-75-37.8176.1-122.8-91.3000111.9Q119 K120 N121 S126 K149 Y153Q119-F123 PolarHBondContact O-N 3.25Å; K120-F123 PolarHBondContact O-N 3.43Å; K120-F123 VanDerWaalsContact O-N 3.08Å; N121-F123 PolarHBondContact O-N 3.08Å; F123-S126 PolarHBondContact O-N 2.97Å; F123-S126 PolarHBondContact O-OG 3.26Å; F123-K149 HydrophobicContact CE1-CB 3.83Å; F123-K149 HydrophobicContact CE1-CD 4.23Å; F123-K149 HydrophobicContact CZ-CB 4.04Å; F123-K149 HydrophobicContact CZ-CD 3.75Å; F123-Y153 HydrophobicContact CB-CD2 4.23Å; F123-Y153 HydrophobicContact CD1-CD2 4.32Å; F123-Y153 HydrophobicContact CD1-CE2 4.47Å; F123-Y153 AromaticContact CD2-CD2 3.62Å; F123-Y153 HydrophobicContact CD2-CD2 3.62Å; F123-Y153 AromaticContact CD2-CE2 3.27Å; F123-Y153 HydrophobicContact CD2-CE2 3.27Å; F123-Y153 HydrophobicContact CE1-CE2 4.48Å; F123-Y153 HydrophobicContact CE2-CD2 4.04Å; F123-Y153 AromaticContact CE2-CE2 3.3Å; F123-Y153 HydrophobicContact CE2-CE2 3.3Å; F123-Y153 AromaticContact CG-CD2 3.78Å; F123-Y153 HydrophobicContact CG-CD2 3.78Å; F123-Y153 AromaticContact CG-CE2 3.91Å; F123-Y153 HydrophobicContact CG-CE2 3.91Å; F123-Y153 AromaticContact CZ-CE2 3.94Å; F123-Y153 HydrophobicContact CZ-CE2 3.94Å
124E80.5Confident75.3Confident67 Ų67101 Ų10131%0.31350%0.504SS..Hα-helixtrans-63.3-44173.7-73173.7-176.700112.1K120 N121 S126 W127 Y150K120-E124 VanDerWaalsContact CE-OE1 3.25Å; K120-E124 WeakPolarHBondContact CE-OE1 3.42Å; K120-E124 IonicContact NZ-OE1 2.64Å; K120-E124 PolarHBondContact O-N 2.87Å; N121-E124 WeakPolarHBondContact O-CB 3.43Å; N121-E124 PolarHBondContact O-N 3.26Å; N121-E124 VanDerWaalsContact O-N 3.11Å; E124-S126 VanDerWaalsContact C-N 3.27Å; E124-S126 PolarHBondContact O-N 3.47Å; E124-W127 WeakPolarHBondContact O-CB 3.06Å; E124-W127 PolarHBondContact O-N 3.49Å; E124-W127 VanDerWaalsContact O-N 3.1Å; E124-Y150 HydrophobicContact CG-CD2 4.15Å; E124-Y150 HydrophobicContact CG-CE2 3.54Å; E124-Y150 WeakPolarHBondContact OE1-CE2 3.31Å; E124-Y150 PolarHBondContact OE1-OH 3.46Å
125D82.5Confident73Confident140 Ų140104 Ų10475%0.74952%0.518SS*.Hα-helixtrans-66.4-30.7178.2-72-27.7000112.3N121 W127N121-D125 WeakPolarHBondContact O-CB 3.36Å; N121-D125 PolarHBondContact O-N 2.58Å; D125-W127 PolarHBondContact O-N 3.27Å
126S76.8Confident71.2Confident79 Ų79106.6 Ų106.655%0.55253%0.527SS*.THydrogen-bonded Turntrans-72.60.1175.476.40000113.9R122 F123 E124 P128R122-S126 WeakPolarHBondContact O-CB 3.33Å; R122-S126 PolarHBondContact O-N 2.89Å; F123-S126 PolarHBondContact O-N 2.97Å; F123-S126 PolarHBondContact O-OG 3.26Å; E124-S126 VanDerWaalsContact C-N 3.27Å; E124-S126 PolarHBondContact O-N 3.47Å; S126-P128 WeakPolarHBondContact O-CD 3Å
127W69.9Low69.6Low96 Ų96115.8 Ų115.836%0.36456%0.558SS.*SBendtrans-74121.5-177.1-161.1-89.2000111.9E124 D125 K129 F143E124-W127 WeakPolarHBondContact O-CB 3.06Å; E124-W127 PolarHBondContact O-N 3.49Å; E124-W127 VanDerWaalsContact O-N 3.1Å; D125-W127 PolarHBondContact O-N 3.27Å; W127-K129 PolarHBondContact O-N 2.71Å; W127-K129 VanDerWaalsContact O-N 3.12Å; W127-F143 HydrophobicContact CH2-CE2 4.17Å; W127-F143 HydrophobicContact CZ2-CD2 4.47Å; W127-F143 AromaticContact CZ2-CE2 3.81Å; W127-F143 HydrophobicContact CZ2-CE2 3.81Å
128P64.4Low68.2Low53 Ų53120.7 Ų120.734%0.34458%0.579SS.*  trans-67.2115.5179.824.8-30.6000110.5S126 K130 I131S126-P128 WeakPolarHBondContact O-CD 3Å; P128-K130 PolarHBondContact O-N 3.38Å; P128-I131 HydrophobicContact CG-CG1 4.49Å
129K64.2Low66.7Low209 Ų209120.8 Ų120.891%0.90958%0.576SS**SBendtrans-69.5-6177.2-64.5-178.2-179.4177.40113.8W127W127-K129 PolarHBondContact O-N 2.71Å; W127-K129 VanDerWaalsContact O-N 3.12Å
130K53.2Low65.7Low196 Ų196121.3 Ų121.385%0.85258%0.579SS**  trans-144.7126174.4-70.6-176.9177.71780110.3P128P128-K130 PolarHBondContact O-N 3.38Å
131I54.7Low65.1Low111 Ų111126 Ų12657%0.56960%0.599SS**  trans-108.4111.4174.5-62.6169000107.8P128P128-I131 HydrophobicContact CG-CG1 4.49Å
132G50.7Low64.4Low66 Ų66125 Ų12568%0.6860%0.599SS**  trans-77.1131177.500000112.4R134G132-R134 PolarHBondContact O-N 2.81Å
133C41.6Very low63.8Low128 Ų128121.8 Ų121.887%0.86559%0.59SS**  trans-62.3113176.2-95.20000112.3
134R48.3Very low63.7Low235 Ų235124.5 Ų124.589%0.88760%0.603SS**SBendtrans-176.5125141.3-98.1156.1-171.8-158.93109.9G132G132-R134 PolarHBondContact O-N 2.81Å
135K46.6Very low63.8Low171 Ų171130.2 Ų130.274%0.74362%0.621SS**  trans76.573.1-177.1-57.4-174.6-180179.70116.6R137 F138 L139K135-R137 PolarHBondContact O-N 3.1Å; K135-F138 PolarHBondContact O-N 2.86Å; K135-L139 PolarHBondContact O-N 2.94Å
136H54.6Low63.7Low146 Ų146130 Ų13068%0.67661%0.61SS**Hα-helixtrans-45.6-47.2-179.3-164.5-76.9000115.5F138 L139 E140H136-F138 PolarHBondContact O-N 2.88Å; H136-L139 PolarHBondContact O-N 3.43Å; H136-E140 IonicContact CE1-OE2 2.69Å; H136-E140 IonicContact ND1-OE2 3.15Å; H136-E140 WeakPolarHBondContact O-CB 3.49Å; H136-E140 PolarHBondContact O-N 3.21Å
137R56.7Low64Low208 Ų208130.2 Ų130.279%0.78560%0.602SS**Hα-helixtrans-70.1-31.4-174.4-78.6-175.6179.8174.60.5115.1K135 K141K135-R137 PolarHBondContact O-N 3.1Å; R137-K141 PolarHBondContact O-N 2.92Å
138F61.1Low64.7Low174 Ų174128.4 Ų128.476%0.76361%0.608SS**Hα-helixtrans-76.7-35.5175.4-89.4-85000111.4K135 H136 A142K135-F138 PolarHBondContact O-N 2.86Å; H136-F138 PolarHBondContact O-N 2.88Å; F138-A142 VanDerWaalsContact O-CB 3.31Å; F138-A142 WeakPolarHBondContact O-CB 3.06Å; F138-A142 PolarHBondContact O-N 3Å; F138-A142 VanDerWaalsContact O-N 3.09Å
139L61.3Low65.8Low70 Ų70131.3 Ų131.337%0.36662%0.616SS.*Hα-helixtrans-67.1-37.8175.7-70168.9000111.8K135 H136 A142 F143K135-L139 PolarHBondContact O-N 2.94Å; H136-L139 PolarHBondContact O-N 3.43Å; L139-A142 PolarHBondContact O-N 2.52Å; L139-F143 VanDerWaalsContact O-CB 3.23Å; L139-F143 WeakPolarHBondContact O-CB 3.44Å; L139-F143 PolarHBondContact O-N 3.16Å
140E66.7Low66.8Low94 Ų94124.1 Ų124.144%0.43958%0.583SS.*Hα-helixtrans-64.9-50.7177.8-167.5167.2-154.700112H136 A142 F143 E144H136-E140 IonicContact CE1-OE2 2.69Å; H136-E140 IonicContact ND1-OE2 3.15Å; H136-E140 WeakPolarHBondContact O-CB 3.49Å; H136-E140 PolarHBondContact O-N 3.21Å; E140-A142 VanDerWaalsContact C-N 3.28Å; E140-A142 PolarHBondContact O-N 3.14Å; E140-F143 WeakPolarHBondContact O-CB 3.44Å; E140-F143 PolarHBondContact O-N 3.35Å; E140-F143 VanDerWaalsContact O-N 3.12Å; E140-E144 WeakPolarHBondContact O-CG 3.45Å; E140-E144 PolarHBondContact O-N 2.66Å
141K75.7Confident68.5Low137 Ų137118.3 Ų118.360%0.59656%0.561SS**Hα-helixtrans-61.2-35.6173.3-75.8-173.5178-178.10113R137 R145R137-K141 PolarHBondContact O-N 2.92Å; K141-R145 WeakPolarHBondContact O-CB 3.42Å; K141-R145 VanDerWaalsContact O-CG 3.23Å; K141-R145 WeakPolarHBondContact O-CG 3.28Å; K141-R145 PolarHBondContact O-N 2.86Å; K141-R145 VanDerWaalsContact O-N 3.09Å
142A74.2Confident70.1Confident38 Ų38117.4 Ų117.431%0.31455%0.554SS.*Hα-helixtrans-69.3-37.9175.800000111.8F138 L139 E140 R146F138-A142 VanDerWaalsContact O-CB 3.31Å; F138-A142 WeakPolarHBondContact O-CB 3.06Å; F138-A142 PolarHBondContact O-N 3Å; F138-A142 VanDerWaalsContact O-N 3.09Å; L139-A142 PolarHBondContact O-N 2.52Å; E140-A142 VanDerWaalsContact C-N 3.28Å; E140-A142 PolarHBondContact O-N 3.14Å; A142-R146 WeakPolarHBondContact O-CB 3.47Å; A142-R146 WeakPolarHBondContact O-CG 3.27Å; A142-R146 PolarHBondContact O-N 2.93Å; A142-R146 VanDerWaalsContact O-N 3.08Å
143F74.7Confident72Confident88 Ų88116.8 Ų116.839%0.38653%0.532SS..Hα-helixtrans-64.3-50.9174.4178.6-92.3000110.9W127 L139 E140 R145 R146 Q147W127-F143 HydrophobicContact CH2-CE2 4.17Å; W127-F143 HydrophobicContact CZ2-CD2 4.47Å; W127-F143 AromaticContact CZ2-CE2 3.81Å; W127-F143 HydrophobicContact CZ2-CE2 3.81Å; L139-F143 VanDerWaalsContact O-CB 3.23Å; L139-F143 WeakPolarHBondContact O-CB 3.44Å; L139-F143 PolarHBondContact O-N 3.16Å; E140-F143 WeakPolarHBondContact O-CB 3.44Å; E140-F143 PolarHBondContact O-N 3.35Å; E140-F143 VanDerWaalsContact O-N 3.12Å; F143-R145 VanDerWaalsContact C-N 3.34Å; F143-R145 PolarHBondContact O-N 2.97Å; F143-R146 CarbonylContact O-C 3.36Å; F143-R146 PolarHBondContact O-N 2.79Å; F143-R146 VanDerWaalsContact O-N 3.1Å; F143-Q147 VanDerWaalsContact CE1-OE1 3.27Å; F143-Q147 WeakPolarHBondContact O-CB 3.4Å; F143-Q147 PolarHBondContact O-N 2.79Å
144E80.4Confident74.4Confident109 Ų109117.5 Ų117.551%0.50952%0.516SS..Hα-helixtrans-56.9-45.2176.8-73.8176.8164.800112E140 R146 Q147 A148E140-E144 WeakPolarHBondContact O-CG 3.45Å; E140-E144 PolarHBondContact O-N 2.66Å; E144-R146 VanDerWaalsContact C-N 3.34Å; E144-R146 PolarHBondContact O-N 2.83Å; E144-Q147 PolarHBondContact O-N 2.92Å; E144-A148 VanDerWaalsContact O-CB 3.3Å; E144-A148 WeakPolarHBondContact O-CB 3.46Å; E144-A148 PolarHBondContact O-N 3.34Å
145R82.4Confident76.4Confident186 Ų186110.6 Ų110.670%0.70250%0.497SS*.Hα-helixtrans-62.3-39.4176.6-74.8174.1-177-176.80.1112.5K141 F143 K149K141-R145 WeakPolarHBondContact O-CB 3.42Å; K141-R145 VanDerWaalsContact O-CG 3.23Å; K141-R145 WeakPolarHBondContact O-CG 3.28Å; K141-R145 PolarHBondContact O-N 2.86Å; K141-R145 VanDerWaalsContact O-N 3.09Å; F143-R145 VanDerWaalsContact C-N 3.34Å; F143-R145 PolarHBondContact O-N 2.97Å; R145-K149 PolarHBondContact O-N 3.14Å; R145-K149 VanDerWaalsContact O-N 3.17Å
146R79.2Confident78.6Confident137 Ų137106.9 Ų106.952%0.51748%0.481SS..Hα-helixtrans-71.8-39.9176.6-77.5177.7-177.8158.20.2111.6A142 F143 E144 K149 Y150A142-R146 WeakPolarHBondContact O-CB 3.47Å; A142-R146 WeakPolarHBondContact O-CG 3.27Å; A142-R146 PolarHBondContact O-N 2.93Å; A142-R146 VanDerWaalsContact O-N 3.08Å; F143-R146 CarbonylContact O-C 3.36Å; F143-R146 PolarHBondContact O-N 2.79Å; F143-R146 VanDerWaalsContact O-N 3.1Å; E144-R146 VanDerWaalsContact C-N 3.34Å; E144-R146 PolarHBondContact O-N 2.83Å; R146-K149 PolarHBondContact O-N 3.19Å; R146-Y150 WeakPolarHBondContact O-CB 3.17Å; R146-Y150 PolarHBondContact O-N 3.06Å
147Q82.6Confident80.3Confident82 Ų82100.4 Ų100.438%0.38345%0.452SS..Hα-helixtrans-64.4-40.9175.9-171176.32100111.3F143 E144 Y150 N151F143-Q147 VanDerWaalsContact CE1-OE1 3.27Å; F143-Q147 WeakPolarHBondContact O-CB 3.4Å; F143-Q147 PolarHBondContact O-N 2.79Å; E144-Q147 PolarHBondContact O-N 2.92Å; Q147-Y150 PolarHBondContact O-N 3.07Å; Q147-N151 WeakPolarHBondContact O-CB 3.44Å; Q147-N151 VanDerWaalsContact O-CG 3.27Å; Q147-N151 PolarHBondContact O-N 3.44Å; Q147-N151 PolarHBondContact O-ND2 3.38Å
148A86.3Confident82Confident59 Ų5994.4 Ų94.449%0.48844%0.435SS..Hα-helixtrans-60.4-46.8173.300000111.6E144 N151 E152E144-A148 VanDerWaalsContact O-CB 3.3Å; E144-A148 WeakPolarHBondContact O-CB 3.46Å; E144-A148 PolarHBondContact O-N 3.34Å; A148-N151 PolarHBondContact O-N 3Å; A148-E152 WeakPolarHBondContact O-CB 3.43Å; A148-E152 PolarHBondContact O-N 2.97Å
149K86Confident83.6Confident114 Ų11492.3 Ų92.350%0.49643%0.426SS..Hα-helixtrans-62.5-43.3174.3-77.3-173.5178.6-175.60112.5F123 R145 R146 E152 Y153F123-K149 HydrophobicContact CE1-CB 3.83Å; F123-K149 HydrophobicContact CE1-CD 4.23Å; F123-K149 HydrophobicContact CZ-CB 4.04Å; F123-K149 HydrophobicContact CZ-CD 3.75Å; R145-K149 PolarHBondContact O-N 3.14Å; R145-K149 VanDerWaalsContact O-N 3.17Å; R146-K149 PolarHBondContact O-N 3.19Å; K149-E152 WeakPolarHBondContact O-CB 3.2Å; K149-E152 PolarHBondContact O-N 3.48Å; K149-Y153 WeakPolarHBondContact O-CD2 3.27Å; K149-Y153 PolarHBondContact O-N 3.39Å
150Y85.5Confident85.1Confident58 Ų5889.8 Ų89.823%0.22742%0.415CS..Hα-helixtrans-60.5-46.3175.8169.8-105.4000111.3E124 R146 Q147 E152 Y153 R154E124-Y150 HydrophobicContact CG-CD2 4.15Å; E124-Y150 HydrophobicContact CG-CE2 3.54Å; E124-Y150 WeakPolarHBondContact OE1-CE2 3.31Å; E124-Y150 PolarHBondContact OE1-OH 3.46Å; R146-Y150 WeakPolarHBondContact O-CB 3.17Å; R146-Y150 PolarHBondContact O-N 3.06Å; Q147-Y150 PolarHBondContact O-N 3.07Å; Y150-E152 VanDerWaalsContact C-N 3.27Å; Y150-E152 PolarHBondContact O-N 2.88Å; Y150-Y153 PolarHBondContact O-N 2.91Å; Y150-R154 VanDerWaalsContact O-CB 3.24Å; Y150-R154 WeakPolarHBondContact O-CB 3.33Å; Y150-R154 PolarHBondContact O-N 2.95Å
151N88.4Confident86.4Confident74 Ų7492 Ų9240%0.39642%0.419SS..Hα-helixtrans-61-36.5175.4-74.3-20.9000111.8Q147 A148 L155Q147-N151 WeakPolarHBondContact O-CB 3.44Å; Q147-N151 VanDerWaalsContact O-CG 3.27Å; Q147-N151 PolarHBondContact O-N 3.44Å; Q147-N151 PolarHBondContact O-ND2 3.38Å; A148-N151 PolarHBondContact O-N 3Å; N151-L155 WeakPolarHBondContact O-CB 3.35Å; N151-L155 PolarHBondContact O-N 3.23Å
152E89.9Confident87.3Confident91 Ų9189.3 Ų89.343%0.42541%0.412SS..Hα-helixtrans-62.4-49.6173-169.2-162.414800111.9A148 K149 Y150 L155 K156A148-E152 WeakPolarHBondContact O-CB 3.43Å; A148-E152 PolarHBondContact O-N 2.97Å; K149-E152 WeakPolarHBondContact O-CB 3.2Å; K149-E152 PolarHBondContact O-N 3.48Å; Y150-E152 VanDerWaalsContact C-N 3.27Å; Y150-E152 PolarHBondContact O-N 2.88Å; E152-L155 PolarHBondContact O-N 3.07Å; E152-K156 HydrophobicContact CG-CD 4.49Å; E152-K156 WeakPolarHBondContact O-CB 2.89Å; E152-K156 WeakPolarHBondContact O-CG 3.43Å; E152-K156 PolarHBondContact O-N 3Å; E152-K156 WeakPolarHBondContact OE1-CE 3.29Å; E152-K156 IonicContact OE1-NZ 3.11Å; E152-K156 PolarHBondContact OE1-NZ 3.33Å
153Y90.4Very high88.2Confident54 Ų5493 Ų9321%0.21242%0.423CS..Hα-helixtrans-66.8-39.6177.7-74.9-66.3000112.6Q119 F123 K149 Y150 L155 K156 A157Q119-Y153 HydrophobicContact CB-CD1 4.05Å; Q119-Y153 HydrophobicContact CB-CE1 4.17Å; F123-Y153 HydrophobicContact CB-CD2 4.23Å; F123-Y153 HydrophobicContact CD1-CD2 4.32Å; F123-Y153 HydrophobicContact CD1-CE2 4.47Å; F123-Y153 AromaticContact CD2-CD2 3.62Å; F123-Y153 HydrophobicContact CD2-CD2 3.62Å; F123-Y153 AromaticContact CD2-CE2 3.27Å; F123-Y153 HydrophobicContact CD2-CE2 3.27Å; F123-Y153 HydrophobicContact CE1-CE2 4.48Å; F123-Y153 HydrophobicContact CE2-CD2 4.04Å; F123-Y153 AromaticContact CE2-CE2 3.3Å; F123-Y153 HydrophobicContact CE2-CE2 3.3Å; F123-Y153 AromaticContact CG-CD2 3.78Å; F123-Y153 HydrophobicContact CG-CD2 3.78Å; F123-Y153 AromaticContact CG-CE2 3.91Å; F123-Y153 HydrophobicContact CG-CE2 3.91Å; F123-Y153 AromaticContact CZ-CE2 3.94Å; F123-Y153 HydrophobicContact CZ-CE2 3.94Å; K149-Y153 WeakPolarHBondContact O-CD2 3.27Å; K149-Y153 PolarHBondContact O-N 3.39Å; Y150-Y153 PolarHBondContact O-N 2.91Å; Y153-L155 VanDerWaalsContact C-N 3.34Å; Y153-K156 HydrophobicContact CD1-CD 4.49Å; Y153-K156 PolarHBondContact O-N 3.42Å; Y153-A157 WeakPolarHBondContact O-CB 3.45Å; Y153-A157 PolarHBondContact O-N 3.4Å
154R90.6Very high89.1Confident142 Ų14291.6 Ų91.654%0.53642%0.415SS..Hα-helixtrans-60.1-45.1173.3177.4-176.8159.1-178.4-2.8110.7Y150 A157 L158Y150-R154 VanDerWaalsContact O-CB 3.24Å; Y150-R154 WeakPolarHBondContact O-CB 3.33Å; Y150-R154 PolarHBondContact O-N 2.95Å; R154-A157 PolarHBondContact O-N 2.89Å; R154-L158 WeakPolarHBondContact O-CB 3.34Å; R154-L158 PolarHBondContact O-N 3.46Å
155L92Very high89.8Confident90 Ų9090.3 Ų90.347%0.47141%0.411SS..Hα-helixtrans-66.4-39.7177.2-17662.7000111.6N151 E152 Y153 L158 K159N151-L155 WeakPolarHBondContact O-CB 3.35Å; N151-L155 PolarHBondContact O-N 3.23Å; E152-L155 PolarHBondContact O-N 3.07Å; Y153-L155 VanDerWaalsContact C-N 3.34Å; L155-L158 PolarHBondContact O-N 3.26Å; L155-K159 HydrophobicContact CG-CD 4.45Å; L155-K159 WeakPolarHBondContact O-CB 3.42Å; L155-K159 WeakPolarHBondContact O-CG 3.09Å; L155-K159 PolarHBondContact O-N 2.98Å
156K92.1Very high90.3Very high94 Ų9486 Ų8641%0.40940%0.402SS..Hα-helixtrans-61-45.8173.5-78.6172.2171.2170.40112.1E152 Y153 K159 A160E152-K156 HydrophobicContact CG-CD 4.49Å; E152-K156 WeakPolarHBondContact O-CB 2.89Å; E152-K156 WeakPolarHBondContact O-CG 3.43Å; E152-K156 PolarHBondContact O-N 3Å; E152-K156 WeakPolarHBondContact OE1-CE 3.29Å; E152-K156 IonicContact OE1-NZ 3.11Å; E152-K156 PolarHBondContact OE1-NZ 3.33Å; Y153-K156 HydrophobicContact CD1-CD 4.49Å; Y153-K156 PolarHBondContact O-N 3.42Å; K156-K159 PolarHBondContact O-N 3.37Å; K156-A160 WeakPolarHBondContact O-CB 3.05Å; K156-A160 PolarHBondContact O-N 3.29Å
157A91.1Very high90.9Very high9 Ų981.2 Ų81.27%0.07439%0.388CS..Hα-helixtrans-64.1-40.7176.200000111.9K120 Y153 R154 A160 R161K120-A157 HydrophobicContact CB-CB 4.15Å; K120-A157 HydrophobicContact CD-CB 4.07Å; K120-A157 HydrophobicContact CG-CB 4.42Å; Y153-A157 WeakPolarHBondContact O-CB 3.45Å; Y153-A157 PolarHBondContact O-N 3.4Å; R154-A157 PolarHBondContact O-N 2.89Å; A157-A160 PolarHBondContact O-N 3.1Å; A157-R161 WeakPolarHBondContact O-CB 3.29Å; A157-R161 PolarHBondContact O-N 3.48Å
158L92Very high91.4Very high82 Ų8278.8 Ų78.843%0.42938%0.379SS..Hα-helixtrans-63.9-45.4175.5-177.363.8000111.9R154 L155 R161 N162R154-L158 WeakPolarHBondContact O-CB 3.34Å; R154-L158 PolarHBondContact O-N 3.46Å; L155-L158 PolarHBondContact O-N 3.26Å; L158-R161 WeakPolarHBondContact O-CB 3.04Å; L158-R161 PolarHBondContact O-N 3.12Å; L158-N162 PolarHBondContact O-N 3.29Å; L158-N162 PolarHBondContact O-OD1 3.35Å
159K94Very high91.7Very high130 Ų13082.4 Ų82.457%0.56539%0.386SS*.Hα-helixtrans-59.4-47.2174.6-74.7178.5178-1740111.1L155 K156 R161 N162 E163L155-K159 HydrophobicContact CG-CD 4.45Å; L155-K159 WeakPolarHBondContact O-CB 3.42Å; L155-K159 WeakPolarHBondContact O-CG 3.09Å; L155-K159 PolarHBondContact O-N 2.98Å; K156-K159 PolarHBondContact O-N 3.37Å; K159-R161 VanDerWaalsContact C-N 3.31Å; K159-R161 PolarHBondContact O-N 3.31Å; K159-N162 PolarHBondContact O-N 2.94Å; K159-E163 WeakPolarHBondContact O-CG 3.37Å; K159-E163 PolarHBondContact O-N 3.45Å
160A93.2Very high92Very high17 Ų1780.3 Ų80.314%0.1439%0.386CS..Hα-helixtrans-63.9-35.1177.800000112.8A116 K156 A157 Y164A116-A160 HydrophobicContact CB-CB 3.65Å; K156-A160 WeakPolarHBondContact O-CB 3.05Å; K156-A160 PolarHBondContact O-N 3.29Å; A157-A160 PolarHBondContact O-N 3.1Å; A160-Y164 WeakPolarHBondContact O-CB 3.23Å; A160-Y164 PolarHBondContact O-N 3.43Å
161R94.3Very high92.2Very high141 Ų14178 Ų7853%0.53238%0.379SS..Hα-helixtrans-64.5-47.1173.9-173.7-176.9-178.9-1781.3111.6F113 A157 L158 K159 Y164 L165F113-R161 HydrophobicContact CD2-CB 3.82Å; F113-R161 HydrophobicContact CD2-CG 4.38Å; F113-R161 HydrophobicContact CE2-CB 3.62Å; F113-R161 HydrophobicContact CE2-CG 3.9Å; F113-R161 HydrophobicContact CZ-CG 4.38Å; A157-R161 WeakPolarHBondContact O-CB 3.29Å; A157-R161 PolarHBondContact O-N 3.48Å; L158-R161 WeakPolarHBondContact O-CB 3.04Å; L158-R161 PolarHBondContact O-N 3.12Å; K159-R161 VanDerWaalsContact C-N 3.31Å; K159-R161 PolarHBondContact O-N 3.31Å; R161-Y164 PolarHBondContact O-N 3.14Å; R161-L165 HydrophobicContact CG-CD1 4.46Å; R161-L165 WeakPolarHBondContact O-CG 3.4Å; R161-L165 PolarHBondContact O-N 3.48Å
162N94.8Very high92.4Very high81 Ų8178.3 Ų78.343%0.43338%0.381SS..Hα-helixtrans-62.7-44.7179.1-70.51.9000110.8L158 K159 Y164 L165 L166L158-N162 PolarHBondContact O-N 3.29Å; L158-N162 PolarHBondContact O-OD1 3.35Å; K159-N162 PolarHBondContact O-N 2.94Å; N162-Y164 VanDerWaalsContact C-N 3.33Å; N162-Y164 PolarHBondContact O-N 2.98Å; N162-L165 PolarHBondContact O-N 2.87Å; N162-L166 WeakPolarHBondContact O-CG 3.32Å; N162-L166 PolarHBondContact O-N 3.47Å
163E92.7Very high92.6Very high116 Ų11676.9 Ų76.954%0.54238%0.384SS..Hα-helixtrans-59.7-42173.9-71.7-61.1131.100112.2K159 L166 C167K159-E163 WeakPolarHBondContact O-CG 3.37Å; K159-E163 PolarHBondContact O-N 3.45Å; E163-L166 PolarHBondContact O-N 3.38Å; E163-C167 WeakPolarHBondContact O-CB 3.46Å; E163-C167 PolarHBondContact O-N 2.89Å; E163-C167 PolarHBondContact O-SG 3.49Å
164Y93.7Very high92.6Very high57 Ų5776.1 Ų76.122%0.22439%0.389CS..Hα-helixtrans-60.7-46.2175.4170.3-123.8000112A109 E110 F113 A160 R161 N162 L166 C167 V168A109-Y164 HydrophobicContact CB-CD2 4.24Å; E110-Y164 HydrophobicContact CB-CD2 4.08Å; E110-Y164 HydrophobicContact CB-CE2 3.71Å; E110-Y164 HydrophobicContact CG-CE2 4.03Å; F113-Y164 HydrophobicContact CB-CG 4.27Å; F113-Y164 AromaticContact CD1-CD1 3.95Å; F113-Y164 HydrophobicContact CD1-CD1 3.95Å; F113-Y164 HydrophobicContact CD1-CE1 4.42Å; F113-Y164 HydrophobicContact CD1-CG 4.47Å; F113-Y164 HydrophobicContact CG-CD1 4.29Å; F113-Y164 HydrophobicContact CG-CG 4.48Å; A160-Y164 WeakPolarHBondContact O-CB 3.23Å; A160-Y164 PolarHBondContact O-N 3.43Å; R161-Y164 PolarHBondContact O-N 3.14Å; N162-Y164 VanDerWaalsContact C-N 3.33Å; N162-Y164 PolarHBondContact O-N 2.98Å; Y164-L166 PolarHBondContact O-N 3.29Å; Y164-C167 PolarHBondContact O-N 3.32Å; Y164-V168 HydrophobicContact CD2-CG2 3.81Å; Y164-V168 HydrophobicContact CE1-CG2 4.27Å; Y164-V168 HydrophobicContact CE2-CG2 3.3Å; Y164-V168 HydrophobicContact CG-CG2 4.47Å; Y164-V168 WeakPolarHBondContact O-CG2 3.48Å; Y164-V168 PolarHBondContact O-N 2.93Å
165L94.2Very high92.6Very high83 Ų8371.8 Ų71.844%0.43538%0.376SS..Hα-helixtrans-61.4-43177.4-70.2173.5000112.2R161 N162 C167 V168 E169R161-L165 HydrophobicContact CG-CD1 4.46Å; R161-L165 WeakPolarHBondContact O-CG 3.4Å; R161-L165 PolarHBondContact O-N 3.48Å; N162-L165 PolarHBondContact O-N 2.87Å; L165-C167 VanDerWaalsContact C-N 3.34Å; L165-C167 PolarHBondContact O-N 3.39Å; L165-V168 PolarHBondContact O-N 3.49Å; L165-E169 PolarHBondContact O-N 3.34Å
166L93.1Very high92.5Very high95 Ų9574.1 Ų74.150%0.49738%0.384SS..Hα-helixtrans-62.2-40.8174.5-68.4172.9000112N162 E163 Y164 V168 S170N162-L166 WeakPolarHBondContact O-CG 3.32Å; N162-L166 PolarHBondContact O-N 3.47Å; E163-L166 PolarHBondContact O-N 3.38Å; Y164-L166 PolarHBondContact O-N 3.29Å; L166-V168 VanDerWaalsContact C-N 3.34Å; L166-S170 WeakPolarHBondContact O-CB 3.3Å; L166-S170 PolarHBondContact O-N 3Å; L166-S170 PolarHBondContact O-OG 2.67Å
167C92.8Very high92.5Very high36 Ų3674.4 Ų74.424%0.24339%0.386CS..Hα-helixtrans-65.5-35.7174.3-77.20000112.5A109 E163 Y164 L165 S170 A171A109-C167 HydrophobicContact CB-CB 3.49Å; A109-C167 VanDerWaalsContact CB-CB 3.49Å; E163-C167 WeakPolarHBondContact O-CB 3.46Å; E163-C167 PolarHBondContact O-N 2.89Å; E163-C167 PolarHBondContact O-SG 3.49Å; Y164-C167 PolarHBondContact O-N 3.32Å; L165-C167 VanDerWaalsContact C-N 3.34Å; L165-C167 PolarHBondContact O-N 3.39Å; C167-S170 VanDerWaalsContact CA-OG 3.31Å; C167-S170 WeakPolarHBondContact CA-OG 3.32Å; C167-S170 PolarHBondContact O-OG 3.44Å; C167-S170 VanDerWaalsContact O-OG 3.08Å; C167-A171 WeakPolarHBondContact O-CB 3.47Å; C167-A171 PolarHBondContact O-N 3.4Å
168V91.9Very high92.5Very high32 Ų3275.2 Ų75.219%0.19439%0.387CS..Hα-helixtrans-67.4-48.5175.6169.10000110.8Y164 L165 L166 S170 A171 N172Y164-V168 HydrophobicContact CD2-CG2 3.81Å; Y164-V168 HydrophobicContact CE1-CG2 4.27Å; Y164-V168 HydrophobicContact CE2-CG2 3.3Å; Y164-V168 HydrophobicContact CG-CG2 4.47Å; Y164-V168 WeakPolarHBondContact O-CG2 3.48Å; Y164-V168 PolarHBondContact O-N 2.93Å; L165-V168 PolarHBondContact O-N 3.49Å; L166-V168 VanDerWaalsContact C-N 3.34Å; V168-S170 PolarHBondContact O-N 3.12Å; V168-A171 PolarHBondContact O-N 3.14Å; V168-N172 WeakPolarHBondContact O-CB 3.41Å; V168-N172 PolarHBondContact O-N 3.18Å; V168-N172 PolarHBondContact O-ND2 2.89Å
169E93.1Very high92.5Very high134 Ų13477 Ų7763%0.62639%0.391SS*.Hα-helixtrans-61.1-45.2178-74.2-179.4-178.500111.9L165 N172 A173L165-E169 PolarHBondContact O-N 3.34Å; E169-N172 PolarHBondContact O-N 3.4Å; E169-A173 WeakPolarHBondContact O-CB 3.33Å; E169-A173 PolarHBondContact O-N 3.02Å
170S91.9Very high92.3Very high71 Ų7174.4 Ų74.450%0.49739%0.394SS..Hα-helixtrans-66.3-39.6176.8560000112.9L166 C167 V168 A173 A174L166-S170 WeakPolarHBondContact O-CB 3.3Å; L166-S170 PolarHBondContact O-N 3Å; L166-S170 PolarHBondContact O-OG 2.67Å; C167-S170 VanDerWaalsContact CA-OG 3.31Å; C167-S170 WeakPolarHBondContact CA-OG 3.32Å; C167-S170 PolarHBondContact O-OG 3.44Å; C167-S170 VanDerWaalsContact O-OG 3.08Å; V168-S170 PolarHBondContact O-N 3.12Å; S170-A173 PolarHBondContact O-N 3.29Å; S170-A174 WeakPolarHBondContact O-CB 3.36Å; S170-A174 PolarHBondContact O-N 3.24Å
171A91.1Very high92.3Very high9 Ų978.4 Ų78.47%0.07441%0.41CS..Hα-helixtrans-65.3-42.2174.700000111.6C106 C167 V168 A174 L175C106-A171 HydrophobicContact CB-CB 3.94Å; C167-A171 WeakPolarHBondContact O-CB 3.47Å; C167-A171 PolarHBondContact O-N 3.4Å; V168-A171 PolarHBondContact O-N 3.14Å; A171-A174 PolarHBondContact O-N 3.42Å; A171-L175 WeakPolarHBondContact O-CB 3.45Å; A171-L175 VanDerWaalsContact O-CG 3.28Å; A171-L175 WeakPolarHBondContact O-CG 3.45Å; A171-L175 PolarHBondContact O-N 2.69Å
172N91.8Very high92.1Very high81 Ų8173.9 Ų73.943%0.43340%0.396SS..Hα-helixtrans-62.5-44.8175.7-72.7-20.3000111.2V168 E169 A174 L175 H176V168-N172 WeakPolarHBondContact O-CB 3.41Å; V168-N172 PolarHBondContact O-N 3.18Å; V168-N172 PolarHBondContact O-ND2 2.89Å; E169-N172 PolarHBondContact O-N 3.4Å; N172-A174 PolarHBondContact O-N 2.64Å; N172-L175 PolarHBondContact O-N 3.15Å; N172-H176 WeakPolarHBondContact O-CB 3.44Å; N172-H176 PolarHBondContact O-CD2 3.33Å; N172-H176 PolarHBondContact O-N 2.71Å
173A93.1Very high91.9Very high60 Ų6072.8 Ų72.850%0.49639%0.39SS..Hα-helixtrans-60.7-43.2175.500000112.1E169 S170 H176 K177E169-A173 WeakPolarHBondContact O-CB 3.33Å; E169-A173 PolarHBondContact O-N 3.02Å; S170-A173 PolarHBondContact O-N 3.29Å; A173-H176 PolarHBondContact O-N 3.09Å; A173-K177 PolarHBondContact O-N 3.43Å
174A91.1Very high91.8Very high38 Ų3870.2 Ų70.231%0.31439%0.385SS..Hα-helixtrans-64.4-41.6176.300000112.4S170 A171 N172 K177 Y178S170-A174 WeakPolarHBondContact O-CB 3.36Å; S170-A174 PolarHBondContact O-N 3.24Å; A171-A174 PolarHBondContact O-N 3.42Å; N172-A174 PolarHBondContact O-N 2.64Å; A174-K177 PolarHBondContact O-N 3.4Å; A174-Y178 VanDerWaalsContact O-CB 3.3Å; A174-Y178 WeakPolarHBondContact O-CB 3.41Å; A174-Y178 PolarHBondContact O-N 2.69Å
175L90.2Very high91.6Very high52 Ų5272 Ų7227%0.27240%0.399SS..Hα-helixtrans-64.8-43.2175.4-73.2171.5000111.4Y99 A171 N172 Y178 F179Y99-L175 HydrophobicContact CD2-CD2 4.06Å; Y99-L175 HydrophobicContact CE2-CD2 3.95Å; A171-L175 WeakPolarHBondContact O-CB 3.45Å; A171-L175 VanDerWaalsContact O-CG 3.28Å; A171-L175 WeakPolarHBondContact O-CG 3.45Å; A171-L175 PolarHBondContact O-N 2.69Å; N172-L175 PolarHBondContact O-N 3.15Å; L175-Y178 PolarHBondContact O-N 3.2Å; L175-F179 HydrophobicContact CD2-CE2 4.11Å; L175-F179 VanDerWaalsContact O-CD2 3.28Å; L175-F179 WeakPolarHBondContact O-CD2 3.44Å; L175-F179 PolarHBondContact O-N 2.91Å
176H91.2Very high91.3Very high138 Ų13869.9 Ų69.964%0.63939%0.387SS*.Hα-helixtrans-58.9-49.5175.4-86.9-68.8000111.5N172 A173 Y178 F179 A180N172-H176 WeakPolarHBondContact O-CB 3.44Å; N172-H176 PolarHBondContact O-CD2 3.33Å; N172-H176 PolarHBondContact O-N 2.71Å; A173-H176 PolarHBondContact O-N 3.09Å; H176-Y178 VanDerWaalsContact C-N 3.34Å; H176-Y178 PolarHBondContact O-N 3.41Å; H176-F179 PolarHBondContact O-N 3.07Å; H176-A180 WeakPolarHBondContact O-CB 3.49Å; H176-A180 PolarHBondContact O-N 2.96Å
177K92.1Very high91.1Very high101 Ų10170 Ų7044%0.43939%0.388SS..Hα-helixtrans-59-46.2175.3-176.1-176.7171.766.90111.5A173 A174 F179 A180 E181 D182A173-K177 PolarHBondContact O-N 3.43Å; A174-K177 PolarHBondContact O-N 3.4Å; K177-F179 PolarHBondContact O-N 3.43Å; K177-A180 PolarHBondContact O-N 3.23Å; K177-E181 IonicContact NZ-OE2 3.51Å; K177-E181 PolarHBondContact NZ-OE2 2.72Å; K177-E181 WeakPolarHBondContact O-CA 3.32Å; K177-E181 WeakPolarHBondContact O-CB 3.33Å; K177-E181 PolarHBondContact O-N 3.22Å; K177-D182 WeakPolarHBondContact CE-OD1 3.49Å; K177-D182 IonicContact NZ-OD1 2.65Å; K177-D182 PolarHBondContact O-N 2.92Å; K177-D182 VanDerWaalsContact O-N 3.13Å
178Y90.9Very high90.8Very high25 Ų2572.2 Ų72.210%0.09840%0.397CS..Iπ-helixtrans-59.3-46-178.9179.5-101000112.4A95 A174 L175 H176 D182 L183 I186A95-Y178 PolarHBondContact O-OH 2.81Å; A174-Y178 VanDerWaalsContact O-CB 3.3Å; A174-Y178 WeakPolarHBondContact O-CB 3.41Å; A174-Y178 PolarHBondContact O-N 2.69Å; L175-Y178 PolarHBondContact O-N 3.2Å; H176-Y178 VanDerWaalsContact C-N 3.34Å; H176-Y178 PolarHBondContact O-N 3.41Å; Y178-D182 HydrophobicContact CD2-CB 4.05Å; Y178-D182 PolarHBondContact O-N 3.09Å; Y178-L183 VanDerWaalsContact O-CB 3.28Å; Y178-L183 WeakPolarHBondContact O-CB 3.15Å; Y178-L183 PolarHBondContact O-N 2.8Å; Y178-I186 HydrophobicContact CE2-CD1 4.28Å
179F90.6Very high90.5Very high120 Ų12073.6 Ų73.653%0.52641%0.405SS..Iπ-helixtrans-83.2-27.8-177.8-77-72.4000114L175 H176 K177 L183L175-F179 HydrophobicContact CD2-CE2 4.11Å; L175-F179 VanDerWaalsContact O-CD2 3.28Å; L175-F179 WeakPolarHBondContact O-CD2 3.44Å; L175-F179 PolarHBondContact O-N 2.91Å; H176-F179 PolarHBondContact O-N 3.07Å; K177-F179 PolarHBondContact O-N 3.43Å; F179-L183 HydrophobicContact CD1-CD2 3.99Å; F179-L183 HydrophobicContact CE1-CD2 4.37Å
180A91Very high90Very high76 Ų7669.4 Ų69.463%0.62838%0.384SS*.Iπ-helixtrans-86.3-34.3-179.800000113.2H176 K177H176-A180 WeakPolarHBondContact O-CB 3.49Å; H176-A180 PolarHBondContact O-N 2.96Å; K177-A180 PolarHBondContact O-N 3.23Å
181E92.2Very high89.5Confident100 Ų10068.1 Ų68.147%0.46738%0.381SS..Iπ-helixtrans-119.5-66.7-175.1-62.7172.4-163.300110.8K177 L183 S184 D185K177-E181 IonicContact NZ-OE2 3.51Å; K177-E181 PolarHBondContact NZ-OE2 2.72Å; K177-E181 WeakPolarHBondContact O-CA 3.32Å; K177-E181 WeakPolarHBondContact O-CB 3.33Å; K177-E181 PolarHBondContact O-N 3.22Å; E181-L183 VanDerWaalsContact C-N 3.3Å; E181-L183 PolarHBondContact O-N 3.27Å; E181-L183 VanDerWaalsContact O-N 3.14Å; E181-S184 WeakPolarHBondContact O-CA 3.44Å; E181-S184 WeakPolarHBondContact O-CB 3.41Å; E181-S184 PolarHBondContact O-N 3.28Å; E181-D185 PolarHBondContact O-N 2.82Å; E181-D185 VanDerWaalsContact O-N 3.11Å
182D91.5Very high88.8Confident46 Ų4675.1 Ų75.125%0.24641%0.412CS..Iπ-helixtrans-61.2-35.8-164.4-54.7-25.1000113K177 Y178 S184 D185 I186K177-D182 WeakPolarHBondContact CE-OD1 3.49Å; K177-D182 IonicContact NZ-OD1 2.65Å; K177-D182 PolarHBondContact O-N 2.92Å; K177-D182 VanDerWaalsContact O-N 3.13Å; Y178-D182 HydrophobicContact CD2-CB 4.05Å; Y178-D182 PolarHBondContact O-N 3.09Å; D182-S184 VanDerWaalsContact C-N 3.33Å; D182-D185 PolarHBondContact O-N 3.45Å; D182-I186 WeakPolarHBondContact O-CB 3.46Å; D182-I186 WeakPolarHBondContact O-CD1 3.46Å; D182-I186 WeakPolarHBondContact O-CG1 3.29Å; D182-I186 PolarHBondContact O-N 3.01Å
183L89.5Confident88.2Confident58 Ų5874.8 Ų74.830%0.30441%0.405SS..Hα-helixtrans-66.5-37.2178.5-174.362.3000111.6Y178 F179 E181 I186 I187Y178-L183 VanDerWaalsContact O-CB 3.28Å; Y178-L183 WeakPolarHBondContact O-CB 3.15Å; Y178-L183 PolarHBondContact O-N 2.8Å; F179-L183 HydrophobicContact CD1-CD2 3.99Å; F179-L183 HydrophobicContact CE1-CD2 4.37Å; E181-L183 VanDerWaalsContact C-N 3.3Å; E181-L183 PolarHBondContact O-N 3.27Å; E181-L183 VanDerWaalsContact O-N 3.14Å; L183-I186 PolarHBondContact O-N 3.36Å; L183-I187 HydrophobicContact CG-CD1 4.21Å; L183-I187 WeakPolarHBondContact O-CD1 3.46Å; L183-I187 VanDerWaalsContact O-CG1 3.23Å; L183-I187 WeakPolarHBondContact O-CG1 3.29Å; L183-I187 PolarHBondContact O-N 3.09Å
184S91Very high87.3Confident62 Ų6276.6 Ų76.643%0.43441%0.406SS..Hα-helixtrans-64-49.2173.6-165.80000110.2E181 D182 I186 I187 D188E181-S184 WeakPolarHBondContact O-CA 3.44Å; E181-S184 WeakPolarHBondContact O-CB 3.41Å; E181-S184 PolarHBondContact O-N 3.28Å; D182-S184 VanDerWaalsContact C-N 3.33Å; S184-I186 VanDerWaalsContact C-N 3.28Å; S184-I186 PolarHBondContact O-N 3.34Å; S184-I187 CarbonylContact O-C 3.59Å; S184-I187 WeakPolarHBondContact O-CA 3.43Å; S184-I187 WeakPolarHBondContact O-CB 3.43Å; S184-I187 PolarHBondContact O-N 3.17Å; S184-D188 PolarHBondContact O-N 3.08Å
185D90.2Very high86.6Confident96 Ų9676.8 Ų76.851%0.51341%0.412SS..Hα-helixtrans-58.7-40.1177.9-69.2-17.7000111.9E181 D182 D188 V189E181-D185 PolarHBondContact O-N 2.82Å; E181-D185 VanDerWaalsContact O-N 3.11Å; D182-D185 PolarHBondContact O-N 3.45Å; D185-D188 PolarHBondContact O-N 3.01Å; D185-V189 VanDerWaalsContact O-CG2 3.32Å; D185-V189 WeakPolarHBondContact O-CG2 3.31Å; D185-V189 PolarHBondContact O-N 3.42Å
186I87.8Confident85.8Confident37 Ų3776.3 Ų76.319%0.1941%0.409CS..Hα-helixtrans-61.8-46.2175.1-73.1162.8000110.4I91 A95 Y178 D182 L183 S184 D188 V189 Y190I91-I186 HydrophobicContact CG2-CG2 4.1Å; A95-I186 HydrophobicContact CB-CD1 3.9Å; Y178-I186 HydrophobicContact CE2-CD1 4.28Å; D182-I186 WeakPolarHBondContact O-CB 3.46Å; D182-I186 WeakPolarHBondContact O-CD1 3.46Å; D182-I186 WeakPolarHBondContact O-CG1 3.29Å; D182-I186 PolarHBondContact O-N 3.01Å; L183-I186 PolarHBondContact O-N 3.36Å; S184-I186 VanDerWaalsContact C-N 3.28Å; S184-I186 PolarHBondContact O-N 3.34Å; I186-D188 VanDerWaalsContact C-N 3.33Å; I186-V189 WeakPolarHBondContact O-CB 3.43Å; I186-V189 PolarHBondContact O-N 3.46Å; I186-Y190 HydrophobicContact CG2-CD2 4.02Å; I186-Y190 HydrophobicContact CG2-CE2 3.58Å; I186-Y190 WeakPolarHBondContact O-CD2 3.38Å; I186-Y190 PolarHBondContact O-N 3.36Å; I186-Y190 VanDerWaalsContact O-N 3.12Å
187I87.2Confident85.3Confident99 Ų9972 Ų7251%0.50839%0.392SS..Hα-helixtrans-61.6-42177.2-69.8165.2000110.6L183 S184 V189 Y190 G191L183-I187 HydrophobicContact CG-CD1 4.21Å; L183-I187 WeakPolarHBondContact O-CD1 3.46Å; L183-I187 VanDerWaalsContact O-CG1 3.23Å; L183-I187 WeakPolarHBondContact O-CG1 3.29Å; L183-I187 PolarHBondContact O-N 3.09Å; S184-I187 CarbonylContact O-C 3.59Å; S184-I187 WeakPolarHBondContact O-CA 3.43Å; S184-I187 WeakPolarHBondContact O-CB 3.43Å; S184-I187 PolarHBondContact O-N 3.17Å; I187-V189 VanDerWaalsContact C-N 3.33Å; I187-V189 PolarHBondContact O-N 3.18Å; I187-Y190 CarbonylContact O-C 3.59Å; I187-Y190 WeakPolarHBondContact O-CA 3.34Å; I187-Y190 VanDerWaalsContact O-CB 3.3Å; I187-Y190 WeakPolarHBondContact O-CB 3.31Å; I187-Y190 PolarHBondContact O-N 2.97Å; I187-G191 PolarHBondContact O-N 2.96Å
188D88.2Confident84.9Confident82 Ų8269.6 Ų69.644%0.43939%0.391SS..Hα-helixtrans-63.3-39.4177-71-24000111.6S184 D185 I186 Y190 G191 H192S184-D188 PolarHBondContact O-N 3.08Å; D185-D188 PolarHBondContact O-N 3.01Å; I186-D188 VanDerWaalsContact C-N 3.33Å; D188-Y190 VanDerWaalsContact C-N 3.27Å; D188-Y190 PolarHBondContact O-N 2.96Å; D188-G191 CarbonylContact O-C 3.58Å; D188-G191 WeakPolarHBondContact O-CA 3.27Å; D188-G191 PolarHBondContact O-N 3.48Å; D188-H192 PolarHBondContact O-CD2 3.33Å; D188-H192 PolarHBondContact O-N 3.04Å
189V84.7Confident84.6Confident60 Ų6072.7 Ų72.736%0.36441%0.406SS..Hα-helixtrans-60.1-36.7171.5172.50000111.8I91 D185 I186 I187 R193I91-V189 HydrophobicContact CD1-CG1 3.82Å; D185-V189 VanDerWaalsContact O-CG2 3.32Å; D185-V189 WeakPolarHBondContact O-CG2 3.31Å; D185-V189 PolarHBondContact O-N 3.42Å; I186-V189 WeakPolarHBondContact O-CB 3.43Å; I186-V189 PolarHBondContact O-N 3.46Å; I187-V189 VanDerWaalsContact C-N 3.33Å; I187-V189 PolarHBondContact O-N 3.18Å; V189-R193 VanDerWaalsContact O-CG 3.29Å; V189-R193 WeakPolarHBondContact O-CG 3.31Å; V189-R193 PolarHBondContact O-N 2.76Å
190Y83.5Confident84.3Confident47 Ų4767.1 Ų67.118%0.18438%0.382CS..Hα-helixtrans-65.3-44.3170.6-75.5-81.3000111.5M88 I91 T92 I186 I187 D188 R193 L194M88-Y190 HydrophobicContact CB-CD1 4.42Å; M88-Y190 HydrophobicContact CB-CE1 3.85Å; M88-Y190 HydrophobicContact CE-CD1 3.71Å; M88-Y190 HydrophobicContact CE-CE1 3.83Å; M88-Y190 HydrophobicContact CG-CD1 3.85Å; M88-Y190 HydrophobicContact CG-CE1 3.8Å; M88-Y190 PolarHBondContact O-OH 3.45Å; M88-Y190 HydrophobicContact SD-CD1 4.35Å; I91-Y190 HydrophobicContact CG2-CE2 3.8Å; T92-Y190 WeakPolarHBondContact CA-OH 3.15Å; T92-Y190 PolarHBondContact N-OH 3.15Å; T92-Y190 VanDerWaalsContact N-OH 3.14Å; T92-Y190 PolarHBondContact OG1-OH 3.32Å; I186-Y190 HydrophobicContact CG2-CD2 4.02Å; I186-Y190 HydrophobicContact CG2-CE2 3.58Å; I186-Y190 WeakPolarHBondContact O-CD2 3.38Å; I186-Y190 PolarHBondContact O-N 3.36Å; I186-Y190 VanDerWaalsContact O-N 3.12Å; I187-Y190 CarbonylContact O-C 3.59Å; I187-Y190 WeakPolarHBondContact O-CA 3.34Å; I187-Y190 VanDerWaalsContact O-CB 3.3Å; I187-Y190 WeakPolarHBondContact O-CB 3.31Å; I187-Y190 PolarHBondContact O-N 2.97Å; D188-Y190 VanDerWaalsContact C-N 3.27Å; D188-Y190 PolarHBondContact O-N 2.96Å; Y190-R193 CarbonylContact O-C 3.59Å; Y190-R193 PolarHBondContact O-N 3.18Å; Y190-R193 VanDerWaalsContact O-N 3.16Å; Y190-L194 PolarHBondContact O-N 2.94Å
191G80.2Confident84.1Confident43 Ų4367.3 Ų67.344%0.44338%0.375SS..Hα-helixtrans-56.9-48.9177.100000112.6I187 D188 R193 L194 G195I187-G191 PolarHBondContact O-N 2.96Å; D188-G191 CarbonylContact O-C 3.58Å; D188-G191 WeakPolarHBondContact O-CA 3.27Å; D188-G191 PolarHBondContact O-N 3.48Å; G191-R193 VanDerWaalsContact C-N 3.28Å; G191-R193 PolarHBondContact O-N 2.94Å; G191-L194 WeakPolarHBondContact O-CA 3.47Å; G191-L194 WeakPolarHBondContact O-CB 3.3Å; G191-L194 PolarHBondContact O-N 3.46Å; G191-G195 PolarHBondContact O-N 2.99Å
192H77.4Confident84Confident156 Ų15668 Ų6872%0.72238%0.378SS*.Hα-helixtrans-59.4-37.7175.6-73.2-63.1000112.6D188 G195D188-H192 PolarHBondContact O-CD2 3.33Å; D188-H192 PolarHBondContact O-N 3.04Å; H192-G195 PolarHBondContact O-N 3.37Å
193R77.7Confident83.9Confident74 Ų7467.7 Ų67.728%0.27938%0.376SS..Hα-helixtrans-75.1-25.6176.6-69.5175.4-171.1-108.94.7112.7L84 Q87 V189 Y190 G191 G195 I196L84-R193 HydrophobicContact CD2-CB 4.37Å; Q87-R193 VanDerWaalsContact OE1-NH1 3.16Å; V189-R193 VanDerWaalsContact O-CG 3.29Å; V189-R193 WeakPolarHBondContact O-CG 3.31Å; V189-R193 PolarHBondContact O-N 2.76Å; Y190-R193 CarbonylContact O-C 3.59Å; Y190-R193 PolarHBondContact O-N 3.18Å; Y190-R193 VanDerWaalsContact O-N 3.16Å; G191-R193 VanDerWaalsContact C-N 3.28Å; G191-R193 PolarHBondContact O-N 2.94Å; R193-G195 PolarHBondContact O-N 3.39Å; R193-I196 WeakPolarHBondContact O-CB 3.41Å; R193-I196 PolarHBondContact O-N 3.48Å; R193-I196 VanDerWaalsContact O-N 3.16Å
194L74.5Confident83.9Confident99 Ų9967.3 Ų67.352%0.51837%0.373SS..Hα-helixtrans-64-24.4170.7-126.581.4000112Y190 G191 I196 V197Y190-L194 PolarHBondContact O-N 2.94Å; G191-L194 WeakPolarHBondContact O-CA 3.47Å; G191-L194 WeakPolarHBondContact O-CB 3.3Å; G191-L194 PolarHBondContact O-N 3.46Å; L194-I196 PolarHBondContact O-N 2.87Å; L194-V197 HydrophobicContact CG-CG2 4.37Å; L194-V197 WeakPolarHBondContact O-CA 3.34Å; L194-V197 WeakPolarHBondContact O-CB 3.06Å; L194-V197 WeakPolarHBondContact O-CG2 3.47Å; L194-V197 PolarHBondContact O-N 3.14Å
195G76.6Confident83.9Confident42 Ų4266.8 Ų66.843%0.43337%0.373SS..Hα-helixtrans-55.2-21.717100000113.7G191 H192 R193 V197 A198 H199G191-G195 PolarHBondContact O-N 2.99Å; H192-G195 PolarHBondContact O-N 3.37Å; R193-G195 PolarHBondContact O-N 3.39Å; G195-V197 VanDerWaalsContact C-N 3.31Å; G195-A198 WeakPolarHBondContact O-CB 3.38Å; G195-A198 PolarHBondContact O-N 2.97Å; G195-H199 PolarHBondContact O-N 2.8Å
196I74.3Confident84Confident42 Ų4267 Ų6722%0.21537%0.374CS..Hα-helixtrans-74.6-23174.1-59.2163.5000112K80 L84 R193 L194 A198 H199 I200K80-I196 HydrophobicContact CD-CG2 4.33Å; K80-I196 HydrophobicContact CG-CG2 3.67Å; L84-I196 HydrophobicContact CD1-CB 3.61Å; L84-I196 HydrophobicContact CD1-CD1 4.09Å; L84-I196 HydrophobicContact CD1-CG1 4.45Å; L84-I196 HydrophobicContact CD1-CG2 3.48Å; L84-I196 VanDerWaalsContact CD1-CG2 3.48Å; L84-I196 HydrophobicContact CD2-CB 4.39Å; L84-I196 HydrophobicContact CD2-CD1 3.28Å; L84-I196 HydrophobicContact CD2-CG1 4.38Å; L84-I196 HydrophobicContact CG-CD1 4.11Å; L84-I196 HydrophobicContact CG-CG2 4.45Å; R193-I196 WeakPolarHBondContact O-CB 3.41Å; R193-I196 PolarHBondContact O-N 3.48Å; R193-I196 VanDerWaalsContact O-N 3.16Å; L194-I196 PolarHBondContact O-N 2.87Å; I196-A198 VanDerWaalsContact C-N 3.29Å; I196-H199 HydrophobicContact CG2-CB 4.47Å; I196-H199 WeakPolarHBondContact O-CB 3.24Å; I196-H199 PolarHBondContact O-N 2.91Å; I196-I200 WeakPolarHBondContact O-CG1 3.46Å; I196-I200 PolarHBondContact O-N 3.05Å
197V80Confident84.2Confident47 Ų4766.4 Ų66.429%0.28537%0.372SS..Hα-helixtrans-61.8-41.4168-178.40000110M1 L194 G195 H199 I200 V201M1-V197 HydrophobicContact SD-CG2 4.34Å; L194-V197 HydrophobicContact CG-CG2 4.37Å; L194-V197 WeakPolarHBondContact O-CA 3.34Å; L194-V197 WeakPolarHBondContact O-CB 3.06Å; L194-V197 WeakPolarHBondContact O-CG2 3.47Å; L194-V197 PolarHBondContact O-N 3.14Å; G195-V197 VanDerWaalsContact C-N 3.31Å; V197-H199 VanDerWaalsContact C-N 3.33Å; V197-H199 PolarHBondContact O-N 3.28Å; V197-I200 WeakPolarHBondContact O-CB 3.38Å; V197-I200 PolarHBondContact O-N 3.29Å; V197-V201 WeakPolarHBondContact O-CG2 3.31Å; V197-V201 PolarHBondContact O-N 3.37Å
198A84.2Confident84.5Confident50 Ų5068.5 Ų68.541%0.41337%0.373SS..Hα-helixtrans-61-42.817300000111.3G195 I196 I200 V201 H202G195-A198 WeakPolarHBondContact O-CB 3.38Å; G195-A198 PolarHBondContact O-N 2.97Å; I196-A198 VanDerWaalsContact C-N 3.29Å; A198-I200 VanDerWaalsContact C-N 3.33Å; A198-I200 PolarHBondContact O-N 3.17Å; A198-V201 PolarHBondContact O-N 3.14Å; A198-H202 PolarHBondContact O-CD2 3.08Å; A198-H202 PolarHBondContact O-N 2.97Å
199H83.3Confident84.7Confident90 Ų9070.4 Ų70.442%0.41738%0.38SS..Hα-helixtrans-59.8-39.3174.5-175.265.4000113.1G195 I196 V197 H202 I203G195-H199 PolarHBondContact O-N 2.8Å; I196-H199 HydrophobicContact CG2-CB 4.47Å; I196-H199 WeakPolarHBondContact O-CB 3.24Å; I196-H199 PolarHBondContact O-N 2.91Å; V197-H199 VanDerWaalsContact C-N 3.33Å; V197-H199 PolarHBondContact O-N 3.28Å; H199-H202 PolarHBondContact O-N 3.28Å; H199-I203 WeakPolarHBondContact O-CG1 3.47Å; H199-I203 PolarHBondContact O-N 3.01Å
200I85.5Confident85Confident4 Ų472.3 Ų72.32%0.02139%0.391CS..Hα-helixtrans-64-43.9174.5-69.3160.7000111.1V77 V81 I196 V197 A198 H202 I203 M204V77-I200 HydrophobicContact CG1-CG1 4.25Å; V77-I200 HydrophobicContact CG1-CG2 3.57Å; V81-I200 HydrophobicContact CG2-CD1 3.39Å; V81-I200 HydrophobicContact CG2-CG1 4.5Å; I196-I200 WeakPolarHBondContact O-CG1 3.46Å; I196-I200 PolarHBondContact O-N 3.05Å; V197-I200 WeakPolarHBondContact O-CB 3.38Å; V197-I200 PolarHBondContact O-N 3.29Å; A198-I200 VanDerWaalsContact C-N 3.33Å; A198-I200 PolarHBondContact O-N 3.17Å; I200-H202 VanDerWaalsContact C-N 3.32Å; I200-H202 PolarHBondContact O-N 3.25Å; I200-I203 PolarHBondContact O-N 3.32Å; I200-M204 HydrophobicContact CG2-CE 4.41Å; I200-M204 WeakPolarHBondContact O-CG 3.46Å; I200-M204 PolarHBondContact O-N 2.82Å
201V87.2Confident85.5Confident80 Ų8070.7 Ų70.749%0.48539%0.386SS..Hα-helixtrans-60.7-43.4176.3172.20000110.6V197 A198 M204 A205V197-V201 WeakPolarHBondContact O-CG2 3.31Å; V197-V201 PolarHBondContact O-N 3.37Å; A198-V201 PolarHBondContact O-N 3.14Å; V201-M204 PolarHBondContact O-N 3.37Å; V201-A205 WeakPolarHBondContact O-CB 3.33Å; V201-A205 PolarHBondContact O-N 2.95Å
202H89.6Confident86Confident115 Ų11573 Ų7353%0.53239%0.387SS..Hα-helixtrans-60.6-48175.1-74.9-60.5000112.3A198 H199 I200 M204 A205 D206A198-H202 PolarHBondContact O-CD2 3.08Å; A198-H202 PolarHBondContact O-N 2.97Å; H199-H202 PolarHBondContact O-N 3.28Å; I200-H202 VanDerWaalsContact C-N 3.32Å; I200-H202 PolarHBondContact O-N 3.25Å; H202-M204 VanDerWaalsContact C-N 3.28Å; H202-M204 PolarHBondContact O-N 3.2Å; H202-A205 PolarHBondContact O-N 2.83Å; H202-A205 VanDerWaalsContact O-N 3.13Å; H202-D206 WeakPolarHBondContact O-CB 3.29Å; H202-D206 VanDerWaalsContact O-CG 3.24Å; H202-D206 PolarHBondContact O-N 3.28Å
203I89.4Confident86.7Confident39 Ų3966.7 Ų66.720%0.236%0.364CS..Hα-helixtrans-56.1-44.5175.9-69.2165.7000110.9V77 H199 I200 T207V77-I203 HydrophobicContact CG2-CG2 3.96Å; H199-I203 WeakPolarHBondContact O-CG1 3.47Å; H199-I203 PolarHBondContact O-N 3.01Å; I200-I203 PolarHBondContact O-N 3.32Å; I203-T207 VanDerWaalsContact O-CB 3.3Å; I203-T207 WeakPolarHBondContact O-CB 3.44Å; I203-T207 PolarHBondContact O-N 3.02Å; I203-T207 PolarHBondContact O-OG1 3.03Å
204M89.3Confident87.4Confident50 Ų5063.7 Ų63.725%0.24636%0.355CS..Hα-helixtrans-68-37.8178.8-71-157.7-62.600112.8L73 I200 V201 H202 R208L73-M204 HydrophobicContact CD2-SD 4.4Å; I200-M204 HydrophobicContact CG2-CE 4.41Å; I200-M204 WeakPolarHBondContact O-CG 3.46Å; I200-M204 PolarHBondContact O-N 2.82Å; V201-M204 PolarHBondContact O-N 3.37Å; H202-M204 VanDerWaalsContact C-N 3.28Å; H202-M204 PolarHBondContact O-N 3.2Å; M204-R208 WeakPolarHBondContact O-CB 3.49Å; M204-R208 WeakPolarHBondContact O-CG 3.28Å; M204-R208 PolarHBondContact O-N 3.15Å
205A90.8Very high88.2Confident51 Ų5162.8 Ų62.842%0.42135%0.348SS..Hα-helixtrans-65.5-48.2176.300000111.1V201 H202 T207 R208 Q209V201-A205 WeakPolarHBondContact O-CB 3.33Å; V201-A205 PolarHBondContact O-N 2.95Å; H202-A205 PolarHBondContact O-N 2.83Å; H202-A205 VanDerWaalsContact O-N 3.13Å; A205-T207 PolarHBondContact O-N 3.3Å; A205-R208 PolarHBondContact O-N 2.78Å; A205-Q209 WeakPolarHBondContact O-CB 3.44Å; A205-Q209 PolarHBondContact O-N 3.04Å
206D93.2Very high88.9Confident101 Ų10165.4 Ų65.454%0.5435%0.349SS..Hα-helixtrans-62.8-44.1178.6-66.6-14.7000111.1H202 R208 Q209 V210H202-D206 WeakPolarHBondContact O-CB 3.29Å; H202-D206 VanDerWaalsContact O-CG 3.24Å; H202-D206 PolarHBondContact O-N 3.28Å; D206-R208 VanDerWaalsContact C-N 3.32Å; D206-R208 PolarHBondContact O-N 2.63Å; D206-Q209 PolarHBondContact O-N 3.38Å; D206-V210 WeakPolarHBondContact O-CG2 3.5Å; D206-V210 PolarHBondContact O-N 2.73Å
207T92Very high89.7Confident24 Ų2470.8 Ų70.815%0.14737%0.367CS..Hα-helixtrans-58.4-46.2175.4-56.90000110.7M69 L72 I203 A205 V210 L211M69-T207 HydrophobicContact CB-CG2 4.32Å; M69-T207 HydrophobicContact CG-CG2 4.03Å; L72-T207 HydrophobicContact CD1-CG2 4.01Å; I203-T207 VanDerWaalsContact O-CB 3.3Å; I203-T207 WeakPolarHBondContact O-CB 3.44Å; I203-T207 PolarHBondContact O-N 3.02Å; I203-T207 PolarHBondContact O-OG1 3.03Å; A205-T207 PolarHBondContact O-N 3.3Å; T207-V210 PolarHBondContact O-N 3.48Å; T207-L211 HydrophobicContact CG2-CD1 4.45Å; T207-L211 WeakPolarHBondContact O-CG 3.45Å; T207-L211 PolarHBondContact O-N 3.22Å; T207-L211 VanDerWaalsContact O-N 3.12Å
208R92.3Very high90.2Very high142 Ų14269.2 Ų69.254%0.53636%0.357SS..Hα-helixtrans-64.2-40176.9-81.6-177.8149.1145.7-3.4112.6M204 A205 D206 V210 L211 I212M204-R208 WeakPolarHBondContact O-CB 3.49Å; M204-R208 WeakPolarHBondContact O-CG 3.28Å; M204-R208 PolarHBondContact O-N 3.15Å; A205-R208 PolarHBondContact O-N 2.78Å; D206-R208 VanDerWaalsContact C-N 3.32Å; D206-R208 PolarHBondContact O-N 2.63Å; R208-V210 VanDerWaalsContact C-N 3.31Å; R208-V210 PolarHBondContact O-N 3.5Å; R208-L211 PolarHBondContact O-N 2.76Å; R208-I212 WeakPolarHBondContact O-CG1 3.4Å; R208-I212 PolarHBondContact O-N 2.78Å
209Q92.3Very high90.4Very high123 Ų12369.4 Ų69.458%0.57535%0.354SS*.Hα-helixtrans-61.7-41.3178.3-172.760.442.300111.4A205 D206 G213A205-Q209 WeakPolarHBondContact O-CB 3.44Å; A205-Q209 PolarHBondContact O-N 3.04Å; D206-Q209 PolarHBondContact O-N 3.38Å; Q209-G213 PolarHBondContact O-N 3.19Å
210V92.5Very high90.8Very high100 Ų10068.8 Ų68.861%0.60635%0.353SS*.Hα-helixtrans-63.7-42.7175.3173.10000111.3D206 T207 R208 G213 A214D206-V210 WeakPolarHBondContact O-CG2 3.5Å; D206-V210 PolarHBondContact O-N 2.73Å; T207-V210 PolarHBondContact O-N 3.48Å; R208-V210 VanDerWaalsContact C-N 3.31Å; R208-V210 PolarHBondContact O-N 3.5Å; V210-G213 PolarHBondContact O-N 3.32Å; V210-A214 PolarHBondContact O-N 3.02Å
211L92.7Very high90.9Very high13 Ų1369.6 Ų69.67%0.06836%0.361CS..Hα-helixtrans-63.4-47.5177.4-67.6175000112N65 M69 T207 R208 G213 A214 E215N65-L211 HydrophobicContact CB-CD2 3.6Å; M69-L211 HydrophobicContact CB-CD1 4.5Å; M69-L211 HydrophobicContact CG-CD1 4.46Å; M69-L211 HydrophobicContact SD-CD1 3.5Å; M69-L211 VanDerWaalsContact SD-CD1 3.5Å; T207-L211 HydrophobicContact CG2-CD1 4.45Å; T207-L211 WeakPolarHBondContact O-CG 3.45Å; T207-L211 PolarHBondContact O-N 3.22Å; T207-L211 VanDerWaalsContact O-N 3.12Å; R208-L211 PolarHBondContact O-N 2.76Å; L211-G213 VanDerWaalsContact C-N 3.28Å; L211-G213 PolarHBondContact O-N 2.93Å; L211-A214 WeakPolarHBondContact O-CB 3.4Å; L211-A214 PolarHBondContact O-N 3.31Å; L211-E215 WeakPolarHBondContact O-CG 3.43Å; L211-E215 PolarHBondContact O-N 3.29Å
212I91.9Very high91.1Very high92 Ų9270.1 Ų70.147%0.47235%0.354SS..Hα-helixtrans-57.9-43.7175.8-69.2166.2000110.4R208 A214 E215 Q216R208-I212 WeakPolarHBondContact O-CG1 3.4Å; R208-I212 PolarHBondContact O-N 2.78Å; I212-A214 VanDerWaalsContact C-N 3.3Å; I212-A214 PolarHBondContact O-N 3.47Å; I212-E215 PolarHBondContact O-N 3.33Å; I212-Q216 WeakPolarHBondContact O-CB 3.47Å; I212-Q216 PolarHBondContact O-N 2.88Å
213G92.1Very high91Very high23 Ų2371.3 Ų71.324%0.23735%0.354CS..Hα-helixtrans-63-34.5176.100000113.4Q209 V210 L211 R217Q209-G213 PolarHBondContact O-N 3.19Å; V210-G213 PolarHBondContact O-N 3.32Å; L211-G213 VanDerWaalsContact C-N 3.28Å; L211-G213 PolarHBondContact O-N 2.93Å; G213-R217 WeakPolarHBondContact O-CG 3.39Å; G213-R217 PolarHBondContact O-N 2.69Å; G213-R217 PolarHBondContact O-NH1 3.34Å; G213-R217 VanDerWaalsContact O-NH1 3.12Å
214A91.3Very high90.8Very high10 Ų1074.3 Ų74.38%0.08337%0.368CS..Hα-helixtrans-70.8-43.9174.500000112.3V210 L211 I212 Q216 R217 S218V210-A214 PolarHBondContact O-N 3.02Å; L211-A214 WeakPolarHBondContact O-CB 3.4Å; L211-A214 PolarHBondContact O-N 3.31Å; I212-A214 VanDerWaalsContact C-N 3.3Å; I212-A214 PolarHBondContact O-N 3.47Å; A214-Q216 VanDerWaalsContact C-N 3.32Å; A214-Q216 PolarHBondContact O-N 3.23Å; A214-R217 PolarHBondContact O-N 2.88Å; A214-S218 PolarHBondContact O-N 3.42Å; A214-S218 VanDerWaalsContact O-N 3.15Å
215E91.8Very high90.5Very high80 Ų8075 Ų7537%0.37437%0.367SS..Hα-helixtrans-60.6-41.8174.8-71.2174-173.300111R66 L211 I212 R217 S218 V219R66-E215 IonicContact CZ-OE1 2.74Å; R66-E215 IonicContact NH2-OE1 3.72Å; R66-E215 PolarHBondContact NH2-OE1 2.78Å; L211-E215 WeakPolarHBondContact O-CG 3.43Å; L211-E215 PolarHBondContact O-N 3.29Å; I212-E215 PolarHBondContact O-N 3.33Å; E215-R217 PolarHBondContact O-N 3.39Å; E215-S218 WeakPolarHBondContact O-CA 3.45Å; E215-S218 WeakPolarHBondContact O-CB 3.36Å; E215-S218 PolarHBondContact O-N 3.08Å; E215-S218 VanDerWaalsContact O-N 3.12Å; E215-V219 WeakPolarHBondContact O-CG2 2.91Å; E215-V219 PolarHBondContact O-N 3.09Å
216Q91.1Very high90.2Very high97 Ų9776 Ų7645%0.45337%0.372SS..Hα-helixtrans-61.3-44177.1-173.760.24500112.2I212 A214 S218 V219 D220I212-Q216 WeakPolarHBondContact O-CB 3.47Å; I212-Q216 PolarHBondContact O-N 2.88Å; A214-Q216 VanDerWaalsContact C-N 3.32Å; A214-Q216 PolarHBondContact O-N 3.23Å; Q216-S218 PolarHBondContact O-N 3.31Å; Q216-V219 WeakPolarHBondContact O-CB 3.24Å; Q216-V219 PolarHBondContact O-N 3.34Å; Q216-V219 VanDerWaalsContact O-N 3.13Å; Q216-D220 PolarHBondContact NE2-OD1 3.12Å; Q216-D220 PolarHBondContact O-N 2.98Å
217R90.9Very high89.7Confident156 Ų15678.5 Ų78.559%0.58938%0.384SS*.Hα-helixtrans-60.2-36.4174.8-71.7-172.9-60.3-88.35.4112.3G213 A214 E215 D220 A221G213-R217 WeakPolarHBondContact O-CG 3.39Å; G213-R217 PolarHBondContact O-N 2.69Å; G213-R217 PolarHBondContact O-NH1 3.34Å; G213-R217 VanDerWaalsContact O-NH1 3.12Å; A214-R217 PolarHBondContact O-N 2.88Å; E215-R217 PolarHBondContact O-N 3.39Å; R217-D220 PolarHBondContact O-N 3.5Å; R217-A221 WeakPolarHBondContact O-CB 3.49Å; R217-A221 PolarHBondContact O-N 3.41Å
218S90.6Very high89.2Confident13 Ų1382.1 Ų82.19%0.09140%0.398CS..Hα-helixtrans-63.5-46174.4-155.30000111.2E58 A214 E215 Q216 D220 A221 Y222E58-S218 VanDerWaalsContact CD-OG 3.23Å; E58-S218 WeakPolarHBondContact CG-OG 3.23Å; E58-S218 WeakPolarHBondContact OE2-CB 3.19Å; E58-S218 PolarHBondContact OE2-OG 3.3Å; A214-S218 PolarHBondContact O-N 3.42Å; A214-S218 VanDerWaalsContact O-N 3.15Å; E215-S218 WeakPolarHBondContact O-CA 3.45Å; E215-S218 WeakPolarHBondContact O-CB 3.36Å; E215-S218 PolarHBondContact O-N 3.08Å; E215-S218 VanDerWaalsContact O-N 3.12Å; Q216-S218 PolarHBondContact O-N 3.31Å; S218-D220 PolarHBondContact O-N 3.37Å; S218-A221 WeakPolarHBondContact O-CB 3.32Å; S218-A221 PolarHBondContact O-N 2.82Å; S218-Y222 WeakPolarHBondContact O-CD1 3.47Å; S218-Y222 PolarHBondContact O-N 3.2Å; S218-Y222 PolarHBondContact OG-OH 3.24Å
219V89.7Confident88.9Confident55 Ų5579.4 Ų79.433%0.33339%0.393SS..Hα-helixtrans-60.5-45176172.30000111.5E215 Q216 A221 Y222 R223E215-V219 WeakPolarHBondContact O-CG2 2.91Å; E215-V219 PolarHBondContact O-N 3.09Å; Q216-V219 WeakPolarHBondContact O-CB 3.24Å; Q216-V219 PolarHBondContact O-N 3.34Å; Q216-V219 VanDerWaalsContact O-N 3.13Å; V219-A221 VanDerWaalsContact C-N 3.33Å; V219-A221 PolarHBondContact O-N 2.64Å; V219-Y222 WeakPolarHBondContact O-CB 3.11Å; V219-Y222 PolarHBondContact O-N 3.16Å; V219-R223 WeakPolarHBondContact O-CG 3.44Å; V219-R223 PolarHBondContact O-N 2.98Å
220D90.5Very high88.5Confident77 Ų7777.1 Ų77.141%0.41239%0.385SS..Hα-helixtrans-62.2-42.7178.3-62.1-22000110.6Q216 R217 S218 Y222 R223 E224Q216-D220 PolarHBondContact NE2-OD1 3.12Å; Q216-D220 PolarHBondContact O-N 2.98Å; R217-D220 PolarHBondContact O-N 3.5Å; S218-D220 PolarHBondContact O-N 3.37Å; D220-Y222 VanDerWaalsContact C-N 3.34Å; D220-Y222 PolarHBondContact O-N 3.01Å; D220-R223 PolarHBondContact O-N 3.17Å; D220-E224 WeakPolarHBondContact O-CB 3.4Å; D220-E224 PolarHBondContact O-N 2.95Å
221A88.3Confident88.2Confident21 Ų2176.1 Ų76.117%0.17439%0.387CS..Hα-helixtrans-61.7-39.617400000112.3R217 S218 V219 E224 W225R217-A221 WeakPolarHBondContact O-CB 3.49Å; R217-A221 PolarHBondContact O-N 3.41Å; S218-A221 WeakPolarHBondContact O-CB 3.32Å; S218-A221 PolarHBondContact O-N 2.82Å; V219-A221 VanDerWaalsContact C-N 3.33Å; V219-A221 PolarHBondContact O-N 2.64Å; A221-E224 PolarHBondContact O-N 3.22Å; A221-W225 WeakPolarHBondContact O-CB 3.19Å; A221-W225 VanDerWaalsContact O-CD1 3.25Å; A221-W225 PolarHBondContact O-N 2.97Å
222Y90.4Very high88Confident90 Ų9080.7 Ų80.735%0.35340%0.404SS..Hα-helixtrans-63.3-44.3176-62.1-12.4000111.7M54 F55 E58 S218 V219 D220 W225 S226M54-Y222 HydrophobicContact CE-CD1 3.42Å; M54-Y222 VanDerWaalsContact CE-CD1 3.42Å; M54-Y222 HydrophobicContact CE-CE1 3.9Å; M54-Y222 HydrophobicContact CE-CG 4.46Å; M54-Y222 HydrophobicContact SD-CD1 3.31Å; M54-Y222 WeakPolarHBondContact SD-CD1 3.39Å; M54-Y222 HydrophobicContact SD-CE1 3.24Å; M54-Y222 WeakPolarHBondContact SD-CE1 3.31Å; F55-Y222 HydrophobicContact CD1-CD1 4.15Å; F55-Y222 AromaticContact CD1-CE1 3.67Å; F55-Y222 HydrophobicContact CD1-CE1 3.67Å; F55-Y222 AromaticContact CE1-CD1 3.81Å; F55-Y222 HydrophobicContact CE1-CD1 3.81Å; F55-Y222 AromaticContact CE1-CE1 3.78Å; F55-Y222 HydrophobicContact CE1-CE1 3.78Å; F55-Y222 HydrophobicContact CE1-CG 4.21Å; E58-Y222 HydrophobicContact CB-CE1 4.3Å; E58-Y222 HydrophobicContact CG-CE1 3.88Å; S218-Y222 WeakPolarHBondContact O-CD1 3.47Å; S218-Y222 PolarHBondContact O-N 3.2Å; S218-Y222 PolarHBondContact OG-OH 3.24Å; V219-Y222 WeakPolarHBondContact O-CB 3.11Å; V219-Y222 PolarHBondContact O-N 3.16Å; D220-Y222 VanDerWaalsContact C-N 3.34Å; D220-Y222 PolarHBondContact O-N 3.01Å; Y222-W225 PolarHBondContact O-N 2.89Å; Y222-S226 PolarHBondContact O-N 3.04Å
223R87.8Confident87.8Confident140 Ų14077.6 Ų77.653%0.52839%0.392SS..Hα-helixtrans-62.5-47.8177.2-71.9177.9-179.6-1173.7111.1V219 D220 W225 S226 L227 D472V219-R223 WeakPolarHBondContact O-CG 3.44Å; V219-R223 PolarHBondContact O-N 2.98Å; D220-R223 PolarHBondContact O-N 3.17Å; R223-W225 VanDerWaalsContact C-N 3.31Å; R223-W225 PolarHBondContact O-N 3.2Å; R223-S226 WeakPolarHBondContact O-CB 2.98Å; R223-S226 PolarHBondContact O-N 3.34Å; R223-S226 VanDerWaalsContact O-N 3.16Å; R223-S226 PolarHBondContact O-OG 2.98Å; R223-L227 PolarHBondContact O-N 2.99Å; R223-D472 IonicContact NH1-OD1 3.06Å
224E85.6Confident87.8Confident103 Ų10377.9 Ų77.948%0.48139%0.388SS..Hα-helixtrans-58-44177.6-168.1-167.7164.500111.6D220 A221 S226 L227 K228D220-E224 WeakPolarHBondContact O-CB 3.4Å; D220-E224 PolarHBondContact O-N 2.95Å; A221-E224 PolarHBondContact O-N 3.22Å; E224-S226 PolarHBondContact O-N 3.02Å; E224-L227 PolarHBondContact O-N 3.21Å; E224-K228 PolarHBondContact O-N 3.44Å; E224-K228 VanDerWaalsContact OE1-CE 3.28Å; E224-K228 WeakPolarHBondContact OE1-CE 3.16Å; E224-K228 IonicContact OE1-NZ 3.13Å; E224-K228 PolarHBondContact OE1-NZ 3.22Å
225W83.1Confident87.7Confident64 Ų6483.1 Ų83.124%0.24241%0.409CS..Hα-helixtrans-68-33.6178-88.2106.5000113.6M54 A221 Y222 R223 L227 K228 L229M54-W225 HydrophobicContact CE-CB 4.16Å; M54-W225 HydrophobicContact CE-CG 4.17Å; A221-W225 WeakPolarHBondContact O-CB 3.19Å; A221-W225 VanDerWaalsContact O-CD1 3.25Å; A221-W225 PolarHBondContact O-N 2.97Å; Y222-W225 PolarHBondContact O-N 2.89Å; R223-W225 VanDerWaalsContact C-N 3.31Å; R223-W225 PolarHBondContact O-N 3.2Å; W225-L227 PolarHBondContact O-N 3.23Å; W225-K228 HydrophobicContact CD2-CD 4.38Å; W225-K228 HydrophobicContact CE3-CB 3.91Å; W225-K228 HydrophobicContact CE3-CD 4.07Å; W225-K228 HydrophobicContact CH2-CD 4.47Å; W225-K228 HydrophobicContact CZ3-CB 4.16Å; W225-K228 HydrophobicContact CZ3-CD 4.13Å; W225-K228 PolarHBondContact O-N 3.44Å; W225-L229 PolarHBondContact O-N 3.11Å
226S84.3Confident87.7Confident73 Ų7384.1 Ų84.151%0.5141%0.413SS..Hα-helixtrans-58.6-33.217678.10000112.2Y222 R223 E224Y222-S226 PolarHBondContact O-N 3.04Å; R223-S226 WeakPolarHBondContact O-CB 2.98Å; R223-S226 PolarHBondContact O-N 3.34Å; R223-S226 VanDerWaalsContact O-N 3.16Å; R223-S226 PolarHBondContact O-OG 2.98Å; E224-S226 PolarHBondContact O-N 3.02Å
227L83.2Confident87.7Confident153 Ų15384.5 Ų84.580%0.80141%0.411SS*.Hα-helixtrans-77.6-23.3176.7-60.6174.2000113.1R223 E224 W225R223-L227 PolarHBondContact O-N 2.99Å; E224-L227 PolarHBondContact O-N 3.21Å; W225-L227 PolarHBondContact O-N 3.23Å
228K82Confident87.6Confident100 Ų10081.1 Ų81.144%0.43540%0.4SS..Hα-helixtrans-85.8-7.5-179.7-69.9179-176.6171.50113.9E224 W225 D230E224-K228 PolarHBondContact O-N 3.44Å; E224-K228 VanDerWaalsContact OE1-CE 3.28Å; E224-K228 WeakPolarHBondContact OE1-CE 3.16Å; E224-K228 IonicContact OE1-NZ 3.13Å; E224-K228 PolarHBondContact OE1-NZ 3.22Å; W225-K228 HydrophobicContact CD2-CD 4.38Å; W225-K228 HydrophobicContact CE3-CB 3.91Å; W225-K228 HydrophobicContact CE3-CD 4.07Å; W225-K228 HydrophobicContact CH2-CD 4.47Å; W225-K228 HydrophobicContact CZ3-CB 4.16Å; W225-K228 HydrophobicContact CZ3-CD 4.13Å; W225-K228 PolarHBondContact O-N 3.44Å; K228-D230 PolarHBondContact O-N 2.73Å; K228-D230 VanDerWaalsContact O-N 3.09Å
229L84.7Confident87.6Confident84 Ų8483.1 Ų83.144%0.4441%0.41SS..  trans-71.3101.8177.4-70.9173.7000110.2A47 M51 W225A47-L229 HydrophobicContact CB-CD2 4.02Å; M51-L229 HydrophobicContact CB-CD2 4.5Å; M51-L229 HydrophobicContact SD-CD1 3.99Å; M51-L229 HydrophobicContact SD-CD2 4.23Å; W225-L229 PolarHBondContact O-N 3.11Å
230D84.7Confident87.6Confident75 Ų7585.7 Ų85.740%0.40142%0.418SS..  trans-125.2104.3179.3-176.70.3000111.8K228 R232 A233 D234K228-D230 PolarHBondContact O-N 2.73Å; K228-D230 VanDerWaalsContact O-N 3.09Å; D230-R232 PolarHBondContact O-N 3.37Å; D230-R232 WeakPolarHBondContact OD1-CA 3.35Å; D230-R232 VanDerWaalsContact OD1-CB 3.29Å; D230-R232 WeakPolarHBondContact OD1-CB 3.39Å; D230-R232 PolarHBondContact OD1-N 3.16Å; D230-A233 HydrophobicContact CB-CB 3.91Å; D230-A233 PolarHBondContact O-N 2.82Å; D230-A233 PolarHBondContact OD1-N 3.26Å; D230-D234 PolarHBondContact O-N 2.94Å
231A86.7Confident87.5Confident79 Ų7984.8 Ų84.865%0.65342%0.418SS*.Hα-helixtrans-62.4-26.3176.800000113.3K235A231-K235 VanDerWaalsContact O-CB 3.32Å; A231-K235 WeakPolarHBondContact O-CB 3.27Å; A231-K235 PolarHBondContact O-N 3.42Å
232R87.9Confident87.6Confident110 Ų11085.7 Ų85.742%0.41542%0.42SS..Hα-helixtrans-74.2-43.7177-62.5-176.4-179.8159.311.4111D230 D234 K235 Q236 A448 S451D230-R232 PolarHBondContact O-N 3.37Å; D230-R232 WeakPolarHBondContact OD1-CA 3.35Å; D230-R232 VanDerWaalsContact OD1-CB 3.29Å; D230-R232 WeakPolarHBondContact OD1-CB 3.39Å; D230-R232 PolarHBondContact OD1-N 3.16Å; R232-D234 VanDerWaalsContact C-N 3.34Å; R232-K235 PolarHBondContact O-N 2.57Å; R232-Q236 PolarHBondContact O-N 3.14Å; R232-A448 VanDerWaalsContact NH2-C 3.33Å; R232-A448 PolarHBondContact NH2-O 2.82Å; R232-S451 PolarHBondContact NH1-OG 3.22Å; R232-S451 VanDerWaalsContact NH1-OG 3.1Å; R232-S451 PolarHBondContact NH2-OG 2.91Å
233A88.3Confident87.6Confident27 Ų2787.7 Ų87.722%0.22343%0.432CS..Hα-helixtrans-61.3-44.6173.800000110.9D230 K235 Q236 R237D230-A233 HydrophobicContact CB-CB 3.91Å; D230-A233 PolarHBondContact O-N 2.82Å; D230-A233 PolarHBondContact OD1-N 3.26Å; A233-K235 PolarHBondContact O-N 3.15Å; A233-Q236 PolarHBondContact O-N 3.21Å; A233-R237 WeakPolarHBondContact O-CG 3.36Å; A233-R237 PolarHBondContact O-N 3.02Å
234D90.3Very high87.8Confident28 Ų2885 Ų8515%0.1544%0.435CS..Hα-helixtrans-62.2-41.8176.7-81.9-3.3000112.1F46 A47 D230 R232 Q236 R237 F238F46-D234 WeakPolarHBondContact CA-OD1 3.08Å; F46-D234 HydrophobicContact CD1-CB 4.02Å; A47-D234 WeakPolarHBondContact CB-OD2 3.44Å; A47-D234 PolarHBondContact N-OD1 3.3Å; A47-D234 PolarHBondContact N-OD2 3.02Å; A47-D234 VanDerWaalsContact N-OD2 3.08Å; D230-D234 PolarHBondContact O-N 2.94Å; R232-D234 VanDerWaalsContact C-N 3.34Å; D234-Q236 PolarHBondContact O-N 3.35Å; D234-R237 PolarHBondContact O-N 3.49Å; D234-R237 IonicContact OD1-NH1 2.93Å; D234-R237 PolarHBondContact OD1-NH1 3.39Å; D234-F238 WeakPolarHBondContact O-CB 3.15Å; D234-F238 PolarHBondContact O-N 3.23Å
235K90.4Very high88.1Confident121 Ų12186.4 Ų86.453%0.52645%0.445SS..Hα-helixtrans-59.9-43.8172.5176.4178.8176.6171.40112A231 R232 A233 F238 L239A231-K235 VanDerWaalsContact O-CB 3.32Å; A231-K235 WeakPolarHBondContact O-CB 3.27Å; A231-K235 PolarHBondContact O-N 3.42Å; R232-K235 PolarHBondContact O-N 2.57Å; A233-K235 PolarHBondContact O-N 3.15Å; K235-F238 WeakPolarHBondContact O-CB 3.32Å; K235-F238 PolarHBondContact O-N 3.21Å; K235-L239 HydrophobicContact CG-CD1 4.3Å; K235-L239 WeakPolarHBondContact O-CG 3.31Å; K235-L239 PolarHBondContact O-N 2.88Å
236Q91.4Very high88.4Confident100 Ų10088.5 Ų88.547%0.46746%0.456SS..Hα-helixtrans-62.6-49179.5-177.261.225.300110.9R232 A233 D234 F238 L239 E240R232-Q236 PolarHBondContact O-N 3.14Å; A233-Q236 PolarHBondContact O-N 3.21Å; D234-Q236 PolarHBondContact O-N 3.35Å; Q236-F238 VanDerWaalsContact C-N 3.27Å; Q236-F238 PolarHBondContact O-N 3.25Å; Q236-L239 PolarHBondContact O-N 2.87Å; Q236-L239 VanDerWaalsContact O-N 3.15Å; Q236-E240 WeakPolarHBondContact CG-OE1 3.09Å; Q236-E240 PolarHBondContact NE2-OE1 2.88Å; Q236-E240 WeakPolarHBondContact O-CG 3.22Å; Q236-E240 PolarHBondContact O-N 3.4Å
237R90.1Very high88.7Confident106 Ų10690 Ų9040%0.446%0.461SS..Hα-helixtrans-59.4-37.5176-67.8177.6-165.1145.87.4112.3N45 A233 D234 S241N45-R237 WeakPolarHBondContact O-CD 3.45Å; N45-R237 PolarHBondContact O-NH1 3.37Å; A233-R237 WeakPolarHBondContact O-CG 3.36Å; A233-R237 PolarHBondContact O-N 3.02Å; D234-R237 PolarHBondContact O-N 3.49Å; D234-R237 IonicContact OD1-NH1 2.93Å; D234-R237 PolarHBondContact OD1-NH1 3.39Å; R237-S241 VanDerWaalsContact O-CB 3.29Å; R237-S241 WeakPolarHBondContact O-CB 3.28Å; R237-S241 PolarHBondContact O-N 2.72Å; R237-S241 PolarHBondContact O-OG 3.32Å
238F90Very high89Confident85 Ų8589.7 Ų89.737%0.37346%0.46SS..Hα-helixtrans-62.1-47.6175.1178.9-104.5000112F46 D234 K235 Q236 S241 N242 F246F46-F238 HydrophobicContact CE1-CB 3.96Å; F46-F238 HydrophobicContact CE1-CD2 4.42Å; F46-F238 HydrophobicContact CZ-CB 4.32Å; F46-F238 HydrophobicContact CZ-CD2 4.01Å; D234-F238 WeakPolarHBondContact O-CB 3.15Å; D234-F238 PolarHBondContact O-N 3.23Å; K235-F238 WeakPolarHBondContact O-CB 3.32Å; K235-F238 PolarHBondContact O-N 3.21Å; Q236-F238 VanDerWaalsContact C-N 3.27Å; Q236-F238 PolarHBondContact O-N 3.25Å; F238-S241 PolarHBondContact O-N 2.94Å; F238-N242 WeakPolarHBondContact O-CB 3.15Å; F238-N242 PolarHBondContact O-N 3.27Å; F238-N242 VanDerWaalsContact O-N 3.14Å; F238-N242 PolarHBondContact O-ND2 3.31Å; F238-F246 HydrophobicContact CD1-CE2 4.19Å; F238-F246 HydrophobicContact CD1-CZ 4.35Å; F238-F246 AromaticContact CE1-CE2 3.67Å; F238-F246 HydrophobicContact CE1-CE2 3.67Å; F238-F246 AromaticContact CE1-CZ 3.55Å; F238-F246 HydrophobicContact CE1-CZ 3.55Å; F238-F246 HydrophobicContact CZ-CE2 4.33Å; F238-F246 HydrophobicContact CZ-CZ 4.27Å
239L90.6Very high89.5Confident55 Ų5589.9 Ų89.929%0.28847%0.471SS..Hα-helixtrans-64.5-41.5179.2-68.4174.6000111.7K235 Q236 N242 H243 F246K235-L239 HydrophobicContact CG-CD1 4.3Å; K235-L239 WeakPolarHBondContact O-CG 3.31Å; K235-L239 PolarHBondContact O-N 2.88Å; Q236-L239 PolarHBondContact O-N 2.87Å; Q236-L239 VanDerWaalsContact O-N 3.15Å; L239-N242 CarbonylContact O-C 3.59Å; L239-N242 PolarHBondContact O-N 3.47Å; L239-H243 WeakPolarHBondContact O-CA 3.33Å; L239-H243 PolarHBondContact O-N 3.03Å; L239-F246 HydrophobicContact CD2-CB 4.29Å; L239-F246 HydrophobicContact CD2-CD1 3.87Å; L239-F246 HydrophobicContact CD2-CD2 3.6Å; L239-F246 HydrophobicContact CD2-CE1 4.11Å; L239-F246 HydrophobicContact CD2-CE2 3.84Å; L239-F246 HydrophobicContact CD2-CG 3.63Å; L239-F246 HydrophobicContact CD2-CZ 4.11Å
240E89.9Confident89.8Confident109 Ų10997.4 Ų97.451%0.50949%0.494SS..Hα-helixtrans-64.6-45.2176.7-72.2167.7178.900111.8Q236 N242 H243Q236-E240 WeakPolarHBondContact CG-OE1 3.09Å; Q236-E240 PolarHBondContact NE2-OE1 2.88Å; Q236-E240 WeakPolarHBondContact O-CG 3.22Å; Q236-E240 PolarHBondContact O-N 3.4Å; E240-N242 PolarHBondContact O-N 3.01Å; E240-H243 WeakPolarHBondContact O-CB 3.22Å; E240-H243 PolarHBondContact O-CD2 2.91Å; E240-H243 PolarHBondContact O-N 3.1Å
241S88.6Confident90.1Very high57 Ų57104.3 Ų104.340%0.39951%0.514SS..Hα-helixtrans-65.4-25179.4-57.10000112.8R237 F238R237-S241 VanDerWaalsContact O-CB 3.29Å; R237-S241 WeakPolarHBondContact O-CB 3.28Å; R237-S241 PolarHBondContact O-N 2.72Å; R237-S241 PolarHBondContact O-OG 3.32Å; F238-S241 PolarHBondContact O-N 2.94Å
242N89.6Confident90.3Very high41 Ų41110.8 Ų110.822%0.21953%0.528CS..THydrogen-bonded Turntrans-11928.9-177.7-62.4-84.9000111.5F238 L239 E240 S244 L245 F246F238-N242 WeakPolarHBondContact O-CB 3.15Å; F238-N242 PolarHBondContact O-N 3.27Å; F238-N242 VanDerWaalsContact O-N 3.14Å; F238-N242 PolarHBondContact O-ND2 3.31Å; L239-N242 CarbonylContact O-C 3.59Å; L239-N242 PolarHBondContact O-N 3.47Å; E240-N242 PolarHBondContact O-N 3.01Å; N242-S244 PolarHBondContact O-N 3.22Å; N242-L245 HydrophobicContact CB-CD1 4.33Å; N242-L245 WeakPolarHBondContact O-CB 3.44Å; N242-L245 PolarHBondContact O-N 3.28Å; N242-F246 HydrophobicContact CB-CD2 4.07Å; N242-F246 HydrophobicContact CB-CE2 3.76Å; N242-F246 VanDerWaalsContact O-CD2 3.32Å; N242-F246 WeakPolarHBondContact O-CD2 3.43Å
243H90.4Very high90.4Very high132 Ų132113.5 Ų113.561%0.61155%0.545SS*.Hα-helixtrans-55.3-32.4-168.371.191.9000113.8L239 E240 L245 F246 V247L239-H243 WeakPolarHBondContact O-CA 3.33Å; L239-H243 PolarHBondContact O-N 3.03Å; E240-H243 WeakPolarHBondContact O-CB 3.22Å; E240-H243 PolarHBondContact O-CD2 2.91Å; E240-H243 PolarHBondContact O-N 3.1Å; H243-L245 VanDerWaalsContact C-N 3.26Å; H243-L245 PolarHBondContact O-N 3.29Å; H243-F246 PolarHBondContact O-N 2.98Å; H243-V247 PolarHBondContact O-N 2.68Å; H243-V247 VanDerWaalsContact O-N 3.14Å
244S91.9Very high90.4Very high83 Ų83117.4 Ų117.458%0.5856%0.557SS**Hα-helixtrans-62.6-29.7177.656.10000113.3N242 V247N242-S244 PolarHBondContact O-N 3.22Å; S244-V247 WeakPolarHBondContact O-CG1 3.24Å
245L91Very high90.3Very high133 Ų133126.6 Ų126.670%0.69659%0.59SS**Hα-helixtrans-80.8-23.1177.6-63178.1000112.8N242 H243N242-L245 HydrophobicContact CB-CD1 4.33Å; N242-L245 WeakPolarHBondContact O-CB 3.44Å; N242-L245 PolarHBondContact O-N 3.28Å; H243-L245 VanDerWaalsContact C-N 3.26Å; H243-L245 PolarHBondContact O-N 3.29Å
246F91Very high90Very high108 Ų108124 Ų12447%0.47459%0.585SS.*Hα-helixtrans-107.34.6-174.4-63.3-69.2000113.7F238 L239 N242 H243F238-F246 HydrophobicContact CD1-CE2 4.19Å; F238-F246 HydrophobicContact CD1-CZ 4.35Å; F238-F246 AromaticContact CE1-CE2 3.67Å; F238-F246 HydrophobicContact CE1-CE2 3.67Å; F238-F246 AromaticContact CE1-CZ 3.55Å; F238-F246 HydrophobicContact CE1-CZ 3.55Å; F238-F246 HydrophobicContact CZ-CE2 4.33Å; F238-F246 HydrophobicContact CZ-CZ 4.27Å; L239-F246 HydrophobicContact CD2-CB 4.29Å; L239-F246 HydrophobicContact CD2-CD1 3.87Å; L239-F246 HydrophobicContact CD2-CD2 3.6Å; L239-F246 HydrophobicContact CD2-CE1 4.11Å; L239-F246 HydrophobicContact CD2-CE2 3.84Å; L239-F246 HydrophobicContact CD2-CG 3.63Å; L239-F246 HydrophobicContact CD2-CZ 4.11Å; N242-F246 HydrophobicContact CB-CD2 4.07Å; N242-F246 HydrophobicContact CB-CE2 3.76Å; N242-F246 VanDerWaalsContact O-CD2 3.32Å; N242-F246 WeakPolarHBondContact O-CD2 3.43Å; H243-F246 PolarHBondContact O-N 2.98Å
247V90Very high89.6Confident103 Ų103126.2 Ų126.262%0.62460%0.596SS**PPolyproline II helixtrans-67.4135.8176.971.40000110.8H243 S244 P249H243-V247 PolarHBondContact O-N 2.68Å; H243-V247 VanDerWaalsContact O-N 3.14Å; S244-V247 WeakPolarHBondContact O-CG1 3.24Å; V247-P249 WeakPolarHBondContact O-CD 3.38Å
248L90Very high89.2Confident147 Ų147128.7 Ų128.777%0.7762%0.617SS**PPolyproline II helixtrans-65.9127.1178.3-174.869.3000110
249P91.2Very high88.8Confident104 Ų104127.8 Ų127.868%0.67563%0.631SS**PPolyproline II helixtrans-59.4158.6174.4-24.835000112.7V247V247-P249 WeakPolarHBondContact O-CD 3.38Å
250R92Very high88.6Confident243 Ų243128.7 Ų128.792%0.91764%0.637SS**PPolyproline II helixtrans-58.3141.6173.8-66.7-173.3179.8-167.80.7110.2
251R91.5Very high88.1Confident219 Ų219129.4 Ų129.483%0.82664%0.644SS**PPolyproline II helixtrans-64.6145.7177.6-67.5-176.6176.7-177.2-0.4110
252F91.1Very high87.9Confident215 Ų215131 Ų13194%0.94365%0.651SS**PPolyproline II helixtrans-70.4132.1169.3-58.9-69.6000109.4
253E88.7Confident87.6Confident167 Ų167136.8 Ų136.878%0.7867%0.674SS**  trans-107.2146.4176.7-65.5-178.9-179.300109.9R255E253-R255 PolarHBondContact O-N 3.35Å
254F88.6Confident87.3Confident109 Ų109138.4 Ų138.448%0.47868%0.682SS.*  trans-61.4128.9171.7175-101.2000109.4P256 K263F254-P256 HydrophobicContact CD1-CG 4.3Å; F254-P256 HydrophobicContact CE1-CB 4.48Å; F254-P256 HydrophobicContact CE1-CG 4.15Å; F254-P256 WeakPolarHBondContact O-CD 3.48Å; F254-K263 HydrophobicContact CD1-CG 4.18Å
255R87.2Confident87.1Confident221 Ų221137.7 Ų137.783%0.83467%0.674SS**  trans-105.3107.1177.7-67-177-177.51680.1108.5E253 Q257E253-R255 PolarHBondContact O-N 3.35Å; R255-Q257 PolarHBondContact O-N 2.83Å
256P85.6Confident86.7Confident66 Ų66135.1 Ų135.143%0.42967%0.667SS.*  trans-50.6133.4175.2-30.538000111.5F254 D260F254-P256 HydrophobicContact CD1-CG 4.3Å; F254-P256 HydrophobicContact CE1-CB 4.48Å; F254-P256 HydrophobicContact CE1-CG 4.15Å; F254-P256 WeakPolarHBondContact O-CD 3.48Å; P256-D260 VanDerWaalsContact CB-O 3.27Å; P256-D260 WeakPolarHBondContact CB-O 3.5Å
257Q83.5Confident86.5Confident147 Ų147131.1 Ų131.169%0.68765%0.654SS**  trans-120.6134.6171.8-168.5173.91500107.9R255 G259 D260R255-Q257 PolarHBondContact O-N 2.83Å; Q257-G259 VanDerWaalsContact C-N 3.31Å; Q257-G259 PolarHBondContact O-N 2.75Å; Q257-D260 WeakPolarHBondContact O-CB 3.3Å; Q257-D260 PolarHBondContact O-N 2.75Å
258N81.8Confident86.2Confident159 Ų159129.6 Ų129.685%0.8565%0.647SS**THydrogen-bonded Turntrans57.134.2175.4-54.5-21000115.4
259G81.2Confident86Confident65 Ų65133.3 Ų133.367%0.6765%0.65SS**THydrogen-bonded Turntrans81.411178.100000115.1Q257 D261Q257-G259 VanDerWaalsContact C-N 3.31Å; Q257-G259 PolarHBondContact O-N 2.75Å; G259-D261 PolarHBondContact O-N 3.17Å
260D85.2Confident85.7Confident74 Ų74132.8 Ų132.840%0.39666%0.655SS.*  trans-76.199.4172.9-175.49000111.8P256 Q257 V262P256-D260 VanDerWaalsContact CB-O 3.27Å; P256-D260 WeakPolarHBondContact CB-O 3.5Å; Q257-D260 WeakPolarHBondContact O-CB 3.3Å; Q257-D260 PolarHBondContact O-N 2.75Å; D260-V262 VanDerWaalsContact OD1-CB 3.26Å; D260-V262 WeakPolarHBondContact OD1-CB 3.27Å; D260-V262 WeakPolarHBondContact OD1-CG2 3.17Å; D260-V262 PolarHBondContact OD1-N 3.3Å
261D81.2Confident85.6Confident124 Ų124123.9 Ų123.966%0.66363%0.627SS**  trans-90.35.8175.4-71.2-37.9000113.4G259 K263G259-D261 PolarHBondContact O-N 3.17Å; D261-K263 PolarHBondContact O-N 3.18Å; D261-K263 VanDerWaalsContact O-N 3.13Å
262V83.6Confident85.5Confident90 Ų90117.2 Ų117.255%0.54561%0.605SS.*  trans-80.298.1-176.7-173.70000110.8D260 Q264D260-V262 VanDerWaalsContact OD1-CB 3.26Å; D260-V262 WeakPolarHBondContact OD1-CB 3.27Å; D260-V262 WeakPolarHBondContact OD1-CG2 3.17Å; D260-V262 PolarHBondContact OD1-N 3.3Å; V262-Q264 WeakPolarHBondContact CG1-O 3.4Å
263K82.8Confident85.4Confident163 Ų163112.9 Ų112.971%0.70959%0.592SS**  trans-87.6-4.6-178.3-60.9179-173.2177.50115F254 D261F254-K263 HydrophobicContact CD1-CG 4.18Å; D261-K263 PolarHBondContact O-N 3.18Å; D261-K263 VanDerWaalsContact O-N 3.13Å
264Q84.5Confident85.5Confident166 Ų166110 Ų11078%0.77658%0.579SS**SBendtrans-122145.7-173.3-66.5-175.6-700110.9V262 S266V262-Q264 WeakPolarHBondContact CG1-O 3.4Å; Q264-S266 PolarHBondContact O-N 3.39Å
265V87Confident85.7Confident69 Ų69105.6 Ų105.642%0.41856%0.56SS.*  trans-72.8121.3171.3-179.80000108.1T379 A383V265-T379 HydrophobicContact CB-CG2 4.03Å; V265-T379 HydrophobicContact CG2-CG2 3.46Å; V265-T379 VanDerWaalsContact CG2-CG2 3.46Å; V265-A383 HydrophobicContact CB-CB 3.97Å; V265-A383 HydrophobicContact CG1-CB 3.7Å; V265-A383 WeakPolarHBondContact O-CB 3.43Å
266S83.6Confident85.9Confident78 Ų7898.4 Ų98.455%0.54554%0.538SS..  trans-103.7147.4173.660.40000110.3Q264 P268Q264-S266 PolarHBondContact O-N 3.39Å; S266-P268 VanDerWaalsContact O-CD 3.29Å; S266-P268 WeakPolarHBondContact O-CD 3.29Å
267A85.7Confident86.3Confident24 Ų24100.9 Ų100.920%0.19854%0.544CS..  trans-117.963.417900000111.9L275 A383 L384A267-L275 HydrophobicContact CB-CD1 3.52Å; A267-A383 HydrophobicContact CB-CB 4.44Å; A267-A383 WeakPolarHBondContact CB-O 3.42Å; A267-L384 HydrophobicContact CB-CD2 4.07Å
268P84.8Confident86.8Confident72 Ų72100 Ų10047%0.46853%0.534SS..  trans-62.1153.2172.625.4-30.3000110.5S266 A270 V271 Q272S266-P268 VanDerWaalsContact O-CD 3.29Å; S266-P268 WeakPolarHBondContact O-CD 3.29Å; P268-A270 PolarHBondContact O-N 3.42Å; P268-V271 HydrophobicContact CG-CG2 3.88Å; P268-V271 WeakPolarHBondContact O-CG2 3.46Å; P268-V271 PolarHBondContact O-N 3.32Å; P268-Q272 PolarHBondContact O-N 3.47Å; P268-Q272 VanDerWaalsContact O-N 3.12Å
269R84.4Confident87.3Confident224 Ų22493.7 Ų93.785%0.84550%0.499SS*.Hα-helixtrans-47.8-35.2-173.6-70.8-174.6179.2178.5-0.1114V271 Q272R269-V271 VanDerWaalsContact C-N 3.28Å; R269-V271 PolarHBondContact O-N 2.98Å; R269-Q272 PolarHBondContact O-N 2.84Å
270A85.4Confident87.9Confident94 Ų9496.6 Ų96.678%0.77749%0.489SS*.Hα-helixtrans-62.1-27179.900000115P268P268-A270 PolarHBondContact O-N 3.42Å
271V90.6Very high88.4Confident55 Ų5598.2 Ų98.233%0.33350%0.495SS..Hα-helixtrans-118.9-0-179.8-60.10000112.6P268 R269 D273 E274 L275P268-V271 HydrophobicContact CG-CG2 3.88Å; P268-V271 WeakPolarHBondContact O-CG2 3.46Å; P268-V271 PolarHBondContact O-N 3.32Å; R269-V271 VanDerWaalsContact C-N 3.28Å; R269-V271 PolarHBondContact O-N 2.98Å; V271-D273 PolarHBondContact O-N 2.91Å; V271-E274 PolarHBondContact O-N 3.43Å; V271-L275 HydrophobicContact CG2-CD1 4.16Å; V271-L275 WeakPolarHBondContact O-CG 3.31Å; V271-L275 PolarHBondContact O-N 3.19Å
272Q89.1Confident89.1Confident79 Ų7993.6 Ų93.637%0.36947%0.47SS..Hα-helixtrans-61.6-43.1-174.1-173.6174.612.500111.7P268 R269 L275 L276 L384P268-Q272 PolarHBondContact O-N 3.47Å; P268-Q272 VanDerWaalsContact O-N 3.12Å; R269-Q272 PolarHBondContact O-N 2.84Å; Q272-L275 PolarHBondContact O-N 2.97Å; Q272-L276 WeakPolarHBondContact O-CB 3.39Å; Q272-L276 PolarHBondContact O-N 3.39Å; Q272-L384 HydrophobicContact CG-CD2 4.1Å
273D89.2Confident89.6Confident125 Ų12592.7 Ų92.767%0.66846%0.459SS*.Hα-helixtrans-64.9-41179.2-67.2-25.2000112V271 L276 Q277V271-D273 PolarHBondContact O-N 2.91Å; D273-L276 PolarHBondContact O-N 3.32Å; D273-Q277 WeakPolarHBondContact O-CB 3.49Å; D273-Q277 PolarHBondContact O-N 2.97Å
274E91.4Very high90.2Very high105 Ų10591.8 Ų91.849%0.49146%0.458SS..Hα-helixtrans-63.7-42.2174.7-66.5-171.3-171.200111.9V271 L276 Q277 R278V271-E274 PolarHBondContact O-N 3.43Å; E274-L276 VanDerWaalsContact C-N 3.35Å; E274-Q277 PolarHBondContact O-N 2.95Å; E274-R278 WeakPolarHBondContact O-CB 3.47Å; E274-R278 VanDerWaalsContact O-CG 3.3Å; E274-R278 WeakPolarHBondContact O-CG 3.06Å; E274-R278 PolarHBondContact O-N 3.29Å; E274-R278 IonicContact OE2-NH2 2.71Å
275L92Very high90.8Very high17 Ų1788.7 Ų88.79%0.08944%0.439CS..Hα-helixtrans-66.4-37.8176.7-73.2177.3000111.7A267 V271 Q272 R278 Y279 I380 L384A267-L275 HydrophobicContact CB-CD1 3.52Å; V271-L275 HydrophobicContact CG2-CD1 4.16Å; V271-L275 WeakPolarHBondContact O-CG 3.31Å; V271-L275 PolarHBondContact O-N 3.19Å; Q272-L275 PolarHBondContact O-N 2.97Å; L275-R278 PolarHBondContact O-N 2.89Å; L275-Y279 WeakPolarHBondContact O-CB 3.5Å; L275-Y279 PolarHBondContact O-N 2.77Å; L275-I380 HydrophobicContact CB-CG2 4.39Å; L275-I380 HydrophobicContact CD2-CG1 4.35Å; L275-L384 HydrophobicContact CB-CD2 3.82Å; L275-L384 HydrophobicContact CB-CG 4.29Å
276L91.5Very high91.2Very high70 Ų7085.6 Ų85.637%0.36642%0.42SS..Hα-helixtrans-67.3-41.4175.8-168.668.2000111.5Q272 D273 E274 Y279 W280 L384Q272-L276 WeakPolarHBondContact O-CB 3.39Å; Q272-L276 PolarHBondContact O-N 3.39Å; D273-L276 PolarHBondContact O-N 3.32Å; E274-L276 VanDerWaalsContact C-N 3.35Å; L276-Y279 WeakPolarHBondContact O-CB 3.45Å; L276-Y279 PolarHBondContact O-N 3.48Å; L276-W280 PolarHBondContact O-N 3.46Å; L276-W280 VanDerWaalsContact O-N 3.13Å; L276-L384 HydrophobicContact CD1-CD1 4.11Å
277Q92.7Very high91.8Very high118 Ų11885.5 Ų85.555%0.55142%0.416SS*.Hα-helixtrans-60.6-46.9173-172.5-174.810.800111.1D273 E274 Y279 W280 Q281D273-Q277 WeakPolarHBondContact O-CB 3.49Å; D273-Q277 PolarHBondContact O-N 2.97Å; E274-Q277 PolarHBondContact O-N 2.95Å; Q277-Y279 VanDerWaalsContact C-N 3.31Å; Q277-Y279 PolarHBondContact O-N 2.87Å; Q277-W280 PolarHBondContact O-N 2.93Å; Q277-Q281 VanDerWaalsContact O-CG 3.31Å; Q277-Q281 WeakPolarHBondContact O-CG 3.26Å; Q277-Q281 PolarHBondContact O-N 3.28Å
278R94.1Very high92.2Very high130 Ų13088.3 Ų88.349%0.49143%0.425SS..Hα-helixtrans-62.3-37.9175.8-73.5177.3-172.5179.28.3112.1E274 L275 Q281 L282 I380E274-R278 WeakPolarHBondContact O-CB 3.47Å; E274-R278 VanDerWaalsContact O-CG 3.3Å; E274-R278 WeakPolarHBondContact O-CG 3.06Å; E274-R278 PolarHBondContact O-N 3.29Å; E274-R278 IonicContact OE2-NH2 2.71Å; L275-R278 PolarHBondContact O-N 2.89Å; R278-Q281 PolarHBondContact O-N 3.45Å; R278-L282 WeakPolarHBondContact O-CB 3.29Å; R278-L282 VanDerWaalsContact O-CG 3.26Å; R278-L282 WeakPolarHBondContact O-CG 3.19Å; R278-L282 PolarHBondContact O-N 2.8Å; R278-I380 HydrophobicContact CB-CD1 4.18Å
279Y93.2Very high92.8Very high26 Ų2685.2 Ų85.210%0.10240%0.404CS..Hα-helixtrans-57.1-51.5176.3171.8-89.1000111.1L275 L276 Q277 L282 H283 F377 I380 K381 L384L275-Y279 WeakPolarHBondContact O-CB 3.5Å; L275-Y279 PolarHBondContact O-N 2.77Å; L276-Y279 WeakPolarHBondContact O-CB 3.45Å; L276-Y279 PolarHBondContact O-N 3.48Å; Q277-Y279 VanDerWaalsContact C-N 3.31Å; Q277-Y279 PolarHBondContact O-N 2.87Å; Y279-L282 PolarHBondContact O-N 2.79Å; Y279-H283 WeakPolarHBondContact O-CB 3.25Å; Y279-H283 PolarHBondContact O-N 3.29Å; Y279-F377 HydrophobicContact CD2-CD2 4.05Å; Y279-F377 AromaticContact CD2-CE2 3.52Å; Y279-F377 HydrophobicContact CD2-CE2 3.52Å; Y279-F377 HydrophobicContact CD2-CZ 4.21Å; Y279-F377 HydrophobicContact CE1-CE2 4.28Å; Y279-F377 HydrophobicContact CE2-CD2 4.15Å; Y279-F377 HydrophobicContact CE2-CE1 4.49Å; Y279-F377 AromaticContact CE2-CE2 3.25Å; Y279-F377 HydrophobicContact CE2-CE2 3.25Å; Y279-F377 AromaticContact CE2-CZ 3.48Å; Y279-F377 HydrophobicContact CE2-CZ 3.48Å; Y279-F377 VanDerWaalsContact CE2-CZ 3.48Å; Y279-F377 HydrophobicContact CG-CE2 4.15Å; Y279-F377 AromaticContact CZ-CE2 3.67Å; Y279-F377 AromaticContact CZ-CZ 3.74Å; Y279-I380 HydrophobicContact CD2-CG2 4.49Å; Y279-K381 HydrophobicContact CD2-CB 4.32Å; Y279-K381 HydrophobicContact CE2-CB 3.9Å; Y279-K381 HydrophobicContact CE2-CD 4.41Å; Y279-K381 HydrophobicContact CE2-CG 3.96Å; Y279-L384 HydrophobicContact CD2-CD1 4.25Å; Y279-L384 HydrophobicContact CG-CD1 4.14Å
280W93.5Very high93.3Very high126 Ų12678.3 Ų78.348%0.47738%0.38SS..Hα-helixtrans-67.1-41179.9-73.3116.2000112.9L276 Q277 L282 H283 Q284L276-W280 PolarHBondContact O-N 3.46Å; L276-W280 VanDerWaalsContact O-N 3.13Å; Q277-W280 PolarHBondContact O-N 2.93Å; W280-L282 PolarHBondContact O-N 2.97Å; W280-H283 PolarHBondContact O-N 3.47Å; W280-Q284 PolarHBondContact O-N 3.01Å
281Q95.4Very high93.7Very high108 Ų10877.3 Ų77.351%0.50537%0.365SS..Hα-helixtrans-59.5-46174.6-73.7174.4-5.700112Q277 R278 R285Q277-Q281 VanDerWaalsContact O-CG 3.31Å; Q277-Q281 WeakPolarHBondContact O-CG 3.26Å; Q277-Q281 PolarHBondContact O-N 3.28Å; R278-Q281 PolarHBondContact O-N 3.45Å; Q281-R285 VanDerWaalsContact O-CB 3.32Å; Q281-R285 WeakPolarHBondContact O-CB 3.09Å; Q281-R285 PolarHBondContact O-N 2.62Å
282L95.9Very high93.9Very high27 Ų2778.1 Ų78.114%0.14137%0.365CS..Hα-helixtrans-65.1-42176.5-74.2173.9000111.5R278 Y279 W280 R285 L286 L373 R376 F377 I380R278-L282 WeakPolarHBondContact O-CB 3.29Å; R278-L282 VanDerWaalsContact O-CG 3.26Å; R278-L282 WeakPolarHBondContact O-CG 3.19Å; R278-L282 PolarHBondContact O-N 2.8Å; Y279-L282 PolarHBondContact O-N 2.79Å; W280-L282 PolarHBondContact O-N 2.97Å; L282-R285 PolarHBondContact O-N 2.92Å; L282-L286 VanDerWaalsContact O-CB 3.24Å; L282-L286 WeakPolarHBondContact O-CB 3.46Å; L282-L286 VanDerWaalsContact O-CG 3.24Å; L282-L286 WeakPolarHBondContact O-CG 2.97Å; L282-L286 PolarHBondContact O-N 3.1Å; L282-L373 HydrophobicContact CD2-CB 4.43Å; L282-L373 HydrophobicContact CD2-CD2 3.78Å; L282-R376 HydrophobicContact CD1-CB 4.12Å; L282-F377 HydrophobicContact CB-CB 4.31Å; L282-F377 HydrophobicContact CB-CD2 4.04Å; L282-F377 HydrophobicContact CD1-CB 4.35Å; L282-I380 HydrophobicContact CD1-CD1 3.78Å
283H94.2Very high94.2Very high71 Ų7174.4 Ų74.433%0.32935%0.348SS..Hα-helixtrans-58.4-53.4177.6-178.5-102000111.4Y279 W280 R285 L286 V287 F377Y279-H283 WeakPolarHBondContact O-CB 3.25Å; Y279-H283 PolarHBondContact O-N 3.29Å; W280-H283 PolarHBondContact O-N 3.47Å; H283-R285 VanDerWaalsContact C-N 3.32Å; H283-R285 PolarHBondContact O-N 3.18Å; H283-L286 PolarHBondContact O-N 3.36Å; H283-V287 WeakPolarHBondContact O-CG2 3.48Å; H283-V287 PolarHBondContact O-N 3.4Å; H283-F377 HydrophobicContact CB-CD2 4.47Å; H283-F377 HydrophobicContact CB-CE2 3.79Å; H283-F377 HydrophobicContact CB-CZ 4.39Å; H283-F377 AromaticContact CD2-CZ 3.96Å
284Q95.5Very high94.4Very high144 Ų14470.7 Ų70.767%0.67333%0.327SS*.Hα-helixtrans-58.5-45.4178.8-174.9-177.9-6.300111.2W280 L286 V287 Q288W280-Q284 PolarHBondContact O-N 3.01Å; Q284-L286 PolarHBondContact O-N 2.92Å; Q284-V287 PolarHBondContact O-N 3.49Å; Q284-Q288 PolarHBondContact O-N 3.44Å; Q284-Q288 VanDerWaalsContact O-N 3.12Å
285R97.1Very high94.6Very high100 Ų10071.6 Ų71.638%0.37733%0.331SS..Hα-helixtrans-65.5-38.6179.1-172.657.6175.3158.33.5112.6Q281 L282 H283 Q288 L289 L373Q281-R285 VanDerWaalsContact O-CB 3.32Å; Q281-R285 WeakPolarHBondContact O-CB 3.09Å; Q281-R285 PolarHBondContact O-N 2.62Å; L282-R285 PolarHBondContact O-N 2.92Å; H283-R285 VanDerWaalsContact C-N 3.32Å; H283-R285 PolarHBondContact O-N 3.18Å; R285-Q288 PolarHBondContact O-N 3.24Å; R285-L289 HydrophobicContact CG-CD1 3.96Å; R285-L289 HydrophobicContact CG-CG 4.43Å; R285-L289 WeakPolarHBondContact O-CB 3.19Å; R285-L289 WeakPolarHBondContact O-CG 3.43Å; R285-L289 PolarHBondContact O-N 3.4Å; R285-L373 HydrophobicContact CG-CD1 4.01Å
286L96.4Very high94.8Very high5 Ų571.4 Ų71.43%0.02633%0.33CS..Hα-helixtrans-66.6-42177.4-82.3167000112L282 H283 Q284 Q288 L289 K290 I370 L373 D374 F377L282-L286 VanDerWaalsContact O-CB 3.24Å; L282-L286 WeakPolarHBondContact O-CB 3.46Å; L282-L286 VanDerWaalsContact O-CG 3.24Å; L282-L286 WeakPolarHBondContact O-CG 2.97Å; L282-L286 PolarHBondContact O-N 3.1Å; H283-L286 PolarHBondContact O-N 3.36Å; Q284-L286 PolarHBondContact O-N 2.92Å; L286-Q288 VanDerWaalsContact C-N 3.35Å; L286-L289 PolarHBondContact O-N 3Å; L286-K290 VanDerWaalsContact O-CB 3.24Å; L286-K290 WeakPolarHBondContact O-CB 3.5Å; L286-K290 WeakPolarHBondContact O-CG 2.98Å; L286-K290 PolarHBondContact O-N 3.31Å; L286-I370 HydrophobicContact CD2-CG2 4.28Å; L286-L373 HydrophobicContact CD2-CB 3.7Å; L286-L373 HydrophobicContact CG-CB 4.09Å; L286-D374 WeakPolarHBondContact CD1-OD1 3.03Å; L286-D374 HydrophobicContact CD2-CB 4.33Å; L286-D374 WeakPolarHBondContact CD2-OD1 3.31Å; L286-F377 HydrophobicContact CD1-CB 3.58Å; L286-F377 HydrophobicContact CD1-CD1 4.15Å; L286-F377 HydrophobicContact CD1-CD2 4.32Å; L286-F377 HydrophobicContact CD1-CG 3.76Å
287V95Very high94.9Very high76 Ų7669.2 Ų69.246%0.46132%0.317SS..Hα-helixtrans-58.2-50.7175.2171.40000109.7H283 Q284 K290 T291H283-V287 WeakPolarHBondContact O-CG2 3.48Å; H283-V287 PolarHBondContact O-N 3.4Å; Q284-V287 PolarHBondContact O-N 3.49Å; V287-K290 PolarHBondContact O-N 3.48Å; V287-T291 WeakPolarHBondContact O-CG2 3.36Å; V287-T291 PolarHBondContact O-N 2.85Å; V287-T291 PolarHBondContact O-OG1 3.41Å
288Q95.5Very high95Very high83 Ų8369.7 Ų69.739%0.38832%0.317SS..Hα-helixtrans-58.8-50.4178.1-177.2-171.92.400112.7Q284 R285 L286 K290 T291 E292Q284-Q288 PolarHBondContact O-N 3.44Å; Q284-Q288 VanDerWaalsContact O-N 3.12Å; R285-Q288 PolarHBondContact O-N 3.24Å; L286-Q288 VanDerWaalsContact C-N 3.35Å; Q288-K290 VanDerWaalsContact C-N 3.31Å; Q288-K290 PolarHBondContact O-N 3.37Å; Q288-T291 WeakPolarHBondContact CA-OG1 3.49Å; Q288-T291 PolarHBondContact O-N 2.79Å; Q288-T291 PolarHBondContact O-OG1 3.28Å; Q288-E292 VanDerWaalsContact CG-OE1 3.28Å; Q288-E292 WeakPolarHBondContact CG-OE1 3.33Å; Q288-E292 PolarHBondContact NE2-OE1 3.26Å; Q288-E292 WeakPolarHBondContact O-CG 3.28Å; Q288-E292 PolarHBondContact O-N 3.01Å
289L96.2Very high95.1Very high6 Ų665.8 Ų65.83%0.03131%0.308CS..Hα-helixtrans-65.7-35.8-178.6-73.3171.4000112.1R285 L286 S293 L369 I370 L373R285-L289 HydrophobicContact CG-CD1 3.96Å; R285-L289 HydrophobicContact CG-CG 4.43Å; R285-L289 WeakPolarHBondContact O-CB 3.19Å; R285-L289 WeakPolarHBondContact O-CG 3.43Å; R285-L289 PolarHBondContact O-N 3.4Å; L286-L289 PolarHBondContact O-N 3Å; L289-S293 WeakPolarHBondContact O-CB 3.37Å; L289-S293 PolarHBondContact O-N 3.42Å; L289-L369 HydrophobicContact CD1-CD2 3.7Å; L289-L369 HydrophobicContact CD1-CG 3.95Å; L289-L369 HydrophobicContact CD2-CD2 4.17Å; L289-I370 HydrophobicContact CB-CD1 4.19Å; L289-I370 HydrophobicContact CB-CG1 3.76Å; L289-L373 HydrophobicContact CD1-CD1 3.6Å
290K95.8Very high95.2Very high79 Ų7964.8 Ų64.834%0.34331%0.305SS..Hα-helixtrans-67.4-37.4176.8-75.4174.3-177.1173.70111.5L286 V287 Q288 E294 I370 D374L286-K290 VanDerWaalsContact O-CB 3.24Å; L286-K290 WeakPolarHBondContact O-CB 3.5Å; L286-K290 WeakPolarHBondContact O-CG 2.98Å; L286-K290 PolarHBondContact O-N 3.31Å; V287-K290 PolarHBondContact O-N 3.48Å; Q288-K290 VanDerWaalsContact C-N 3.31Å; Q288-K290 PolarHBondContact O-N 3.37Å; K290-E294 WeakPolarHBondContact O-CG 3.38Å; K290-E294 PolarHBondContact O-N 2.94Å; K290-E294 VanDerWaalsContact O-N 3.13Å; K290-I370 HydrophobicContact CG-CD1 4.31Å; K290-I370 HydrophobicContact CG-CG2 4.08Å; K290-D374 WeakPolarHBondContact CE-OD2 3.36Å; K290-D374 IonicContact NZ-OD1 3.97Å; K290-D374 PolarHBondContact NZ-OD1 3.46Å; K290-D374 IonicContact NZ-OD2 2.69Å; K290-D374 PolarHBondContact NZ-OD2 3.19Å
291T94.5Very high95.2Very high73 Ų7361.8 Ų61.845%0.44830%0.296SS..Hα-helixtrans-68.3-48.1174.149.60000111.5V287 Q288 S293 E294 E295V287-T291 WeakPolarHBondContact O-CG2 3.36Å; V287-T291 PolarHBondContact O-N 2.85Å; V287-T291 PolarHBondContact O-OG1 3.41Å; Q288-T291 WeakPolarHBondContact CA-OG1 3.49Å; Q288-T291 PolarHBondContact O-N 2.79Å; Q288-T291 PolarHBondContact O-OG1 3.28Å; T291-S293 VanDerWaalsContact C-N 3.28Å; T291-S293 PolarHBondContact O-N 3.09Å; T291-E294 WeakPolarHBondContact O-CB 3.32Å; T291-E294 PolarHBondContact O-N 3.11Å; T291-E294 VanDerWaalsContact O-N 3.13Å; T291-E295 PolarHBondContact O-N 3.26Å; T291-E295 VanDerWaalsContact O-N 3.12Å
292E94.6Very high95.2Very high72 Ų7260.2 Ų60.234%0.33629%0.294SS..Hα-helixtrans-57.4-41.4175.4-71.1171.8-169.200111.4Q288 E295 V296Q288-E292 VanDerWaalsContact CG-OE1 3.28Å; Q288-E292 WeakPolarHBondContact CG-OE1 3.33Å; Q288-E292 PolarHBondContact NE2-OE1 3.26Å; Q288-E292 WeakPolarHBondContact O-CG 3.28Å; Q288-E292 PolarHBondContact O-N 3.01Å; E292-E295 PolarHBondContact O-N 2.92Å; E292-V296 WeakPolarHBondContact O-CG2 3.21Å; E292-V296 PolarHBondContact O-N 3.49Å
293S94.5Very high95.1Very high2 Ų259.5 Ų59.51%0.01429%0.29CS..Hα-helixtrans-65.7-36.4177.4177.90000113.4L289 T291 E295 W297 F363L289-S293 WeakPolarHBondContact O-CB 3.37Å; L289-S293 PolarHBondContact O-N 3.42Å; T291-S293 VanDerWaalsContact C-N 3.28Å; T291-S293 PolarHBondContact O-N 3.09Å; S293-E295 VanDerWaalsContact C-N 3.35Å; S293-W297 WeakPolarHBondContact O-CB 3.36Å; S293-W297 PolarHBondContact O-N 3.14Å; S293-F363 WeakPolarHBondContact OG-CE2 3.09Å
294E94.5Very high95.1Very high47 Ų4757.6 Ų57.622%0.2228%0.282CS..Hα-helixtrans-64.8-38172.6-73.9-72.3168.900111.7K290 T291 W297 K298 R443K290-E294 WeakPolarHBondContact O-CG 3.38Å; K290-E294 PolarHBondContact O-N 2.94Å; K290-E294 VanDerWaalsContact O-N 3.13Å; T291-E294 WeakPolarHBondContact O-CB 3.32Å; T291-E294 PolarHBondContact O-N 3.11Å; T291-E294 VanDerWaalsContact O-N 3.13Å; E294-W297 WeakPolarHBondContact O-CB 3.25Å; E294-W297 PolarHBondContact O-N 3.39Å; E294-K298 WeakPolarHBondContact O-CG 3.31Å; E294-K298 PolarHBondContact O-N 3.39Å; E294-R443 VanDerWaalsContact CD-CZ 3.48Å; E294-R443 VanDerWaalsContact CG-NH2 3.27Å; E294-R443 IonicContact OE1-CZ 3.2Å; E294-R443 IonicContact OE1-NE 2.82Å; E294-R443 PolarHBondContact OE1-NE 3.47Å; E294-R443 IonicContact OE1-NH2 3.77Å; E294-R443 PolarHBondContact OE1-NH2 3.01Å; E294-R443 IonicContact OE2-CZ 3.85Å; E294-R443 IonicContact OE2-NE 3.53Å; E294-R443 IonicContact OE2-NH2 3.96Å
295E94.8Very high94.9Very high123 Ų12357.1 Ų57.158%0.57527%0.274SS*.Hα-helixtrans-67.7-43.8178.1-69174-177.900112T291 E292 S293 W297 K298 T299T291-E295 PolarHBondContact O-N 3.26Å; T291-E295 VanDerWaalsContact O-N 3.12Å; E292-E295 PolarHBondContact O-N 2.92Å; S293-E295 VanDerWaalsContact C-N 3.35Å; E295-W297 VanDerWaalsContact C-N 3.3Å; E295-W297 PolarHBondContact O-N 3.25Å; E295-K298 PolarHBondContact O-N 2.93Å; E295-T299 PolarHBondContact O-N 3.44Å; E295-T299 PolarHBondContact O-OG1 3.45Å
296V95.6Very high94.6Very high14 Ų1454 Ų549%0.08527%0.269CS..Hα-helixtrans-61.6-40.6173.2178.20000110.6E292 T299 L300 K359 Q362 F363E292-V296 WeakPolarHBondContact O-CG2 3.21Å; E292-V296 PolarHBondContact O-N 3.49Å; V296-T299 WeakPolarHBondContact O-CB 3.27Å; V296-T299 PolarHBondContact O-N 3.37Å; V296-L300 HydrophobicContact CG1-CD1 4.31Å; V296-L300 WeakPolarHBondContact O-CG 3.24Å; V296-L300 PolarHBondContact O-N 3.38Å; V296-K359 WeakPolarHBondContact CG1-O 3.34Å; V296-Q362 HydrophobicContact CG2-CG 4.47Å; V296-F363 HydrophobicContact CG1-CB 3.81Å; V296-F363 HydrophobicContact CG1-CD2 4.37Å
297W94.7Very high94.3Very high23 Ų2354.5 Ų54.59%0.08727%0.272CS..Hα-helixtrans-59.3-48176179-91000112.9S293 E294 E295 T299 L300 E301 F363 R444 I446S293-W297 WeakPolarHBondContact O-CB 3.36Å; S293-W297 PolarHBondContact O-N 3.14Å; E294-W297 WeakPolarHBondContact O-CB 3.25Å; E294-W297 PolarHBondContact O-N 3.39Å; E295-W297 VanDerWaalsContact C-N 3.3Å; E295-W297 PolarHBondContact O-N 3.25Å; W297-T299 PolarHBondContact O-N 3.39Å; W297-L300 WeakPolarHBondContact O-CB 3.29Å; W297-L300 PolarHBondContact O-N 3Å; W297-L300 VanDerWaalsContact O-N 3.11Å; W297-E301 PolarHBondContact NE1-OE1 3.28Å; W297-E301 PolarHBondContact O-N 3.02Å; W297-F363 HydrophobicContact CB-CD2 4.41Å; W297-F363 HydrophobicContact CB-CE2 4.03Å; W297-F363 HydrophobicContact CD2-CE2 4.41Å; W297-F363 HydrophobicContact CD2-CZ 4.46Å; W297-F363 HydrophobicContact CE3-CD2 4.27Å; W297-F363 AromaticContact CE3-CE1 3.85Å; W297-F363 HydrophobicContact CE3-CE1 3.85Å; W297-F363 AromaticContact CE3-CE2 3.57Å; W297-F363 HydrophobicContact CE3-CE2 3.57Å; W297-F363 AromaticContact CE3-CZ 3.33Å; W297-F363 HydrophobicContact CE3-CZ 3.33Å; W297-F363 AromaticContact CZ3-CE1 3.88Å; W297-F363 HydrophobicContact CZ3-CE1 3.88Å; W297-F363 HydrophobicContact CZ3-CE2 4.36Å; W297-F363 AromaticContact CZ3-CZ 3.67Å; W297-F363 HydrophobicContact CZ3-CZ 3.67Å; W297-R444 WeakPolarHBondContact CH2-O 3.4Å; W297-R444 WeakPolarHBondContact CZ2-O 3.34Å; W297-I446 HydrophobicContact CE3-CD1 4.3Å; W297-I446 HydrophobicContact CE3-CG1 4.08Å; W297-I446 HydrophobicContact CH2-CB 4.15Å; W297-I446 HydrophobicContact CH2-CD1 4.14Å; W297-I446 HydrophobicContact CH2-CG1 3.14Å; W297-I446 HydrophobicContact CZ2-CG1 4.3Å; W297-I446 HydrophobicContact CZ3-CB 4.37Å; W297-I446 HydrophobicContact CZ3-CD1 3.49Å; W297-I446 VanDerWaalsContact CZ3-CD1 3.49Å; W297-I446 HydrophobicContact CZ3-CG1 3.01Å
298K95.1Very high94Very high128 Ų12853 Ų5356%0.55726%0.261SS*.Hα-helixtrans-60.5-36.8176.7-70.8173.6-176.4177.70111.9E294 E295 T302E294-K298 WeakPolarHBondContact O-CG 3.31Å; E294-K298 PolarHBondContact O-N 3.39Å; E295-K298 PolarHBondContact O-N 2.93Å; K298-T302 WeakPolarHBondContact O-CB 3.45Å; K298-T302 PolarHBondContact O-N 2.77Å; K298-T302 VanDerWaalsContact O-N 3.08Å; K298-T302 PolarHBondContact O-OG1 2.87Å
299T95.4Very high93.6Very high49 Ų4951.2 Ų51.230%0.30126%0.264SS..Hα-helixtrans-62.8-44.8174.4-54.20000110.7E295 V296 W297 T302 T303 F355 K359E295-T299 PolarHBondContact O-N 3.44Å; E295-T299 PolarHBondContact O-OG1 3.45Å; V296-T299 WeakPolarHBondContact O-CB 3.27Å; V296-T299 PolarHBondContact O-N 3.37Å; W297-T299 PolarHBondContact O-N 3.39Å; T299-T302 PolarHBondContact O-N 3.39Å; T299-T303 WeakPolarHBondContact O-CB 3.48Å; T299-T303 PolarHBondContact O-N 3.48Å; T299-T303 PolarHBondContact O-OG1 3.13Å; T299-F355 HydrophobicContact CG2-CE1 3.77Å; T299-F355 HydrophobicContact CG2-CZ 3.89Å; T299-K359 HydrophobicContact CG2-CD 4.49Å; T299-K359 HydrophobicContact CG2-CG 4.3Å
300L96.1Very high93.1Very high4 Ų453.6 Ų53.62%0.02128%0.276CS..Hα-helixtrans-61.8-49.7176.6-74.5168.7000112.5V296 W297 T302 T303 E304 Y356 K359 F360 F363V296-L300 HydrophobicContact CG1-CD1 4.31Å; V296-L300 WeakPolarHBondContact O-CG 3.24Å; V296-L300 PolarHBondContact O-N 3.38Å; W297-L300 WeakPolarHBondContact O-CB 3.29Å; W297-L300 PolarHBondContact O-N 3Å; W297-L300 VanDerWaalsContact O-N 3.11Å; L300-T302 VanDerWaalsContact C-N 3.25Å; L300-T302 PolarHBondContact O-N 3.46Å; L300-T303 PolarHBondContact O-N 3.49Å; L300-E304 WeakPolarHBondContact O-CB 3.45Å; L300-E304 PolarHBondContact O-N 2.98Å; L300-Y356 HydrophobicContact CB-CE2 4.17Å; L300-Y356 HydrophobicContact CD2-CD2 3.61Å; L300-Y356 HydrophobicContact CD2-CE2 3.6Å; L300-Y356 HydrophobicContact CD2-CG 4.21Å; L300-Y356 WeakPolarHBondContact CD2-O 3.44Å; L300-K359 HydrophobicContact CD2-CB 3.71Å; L300-K359 HydrophobicContact CG-CB 4.19Å; L300-F360 HydrophobicContact CD1-CD2 4.37Å; L300-F360 HydrophobicContact CD2-CB 3.92Å; L300-F363 HydrophobicContact CD1-CB 3.68Å; L300-F363 HydrophobicContact CD1-CD1 4.43Å; L300-F363 HydrophobicContact CD1-CD2 4.37Å; L300-F363 HydrophobicContact CD1-CG 3.9Å
301E93.4Very high92.5Very high63 Ų6354.7 Ų54.729%0.29428%0.282SS..Hα-helixtrans-60.8-36.6178.6-71.9-173.516000112.3W297 R305W297-E301 PolarHBondContact NE1-OE1 3.28Å; W297-E301 PolarHBondContact O-N 3.02Å; E301-R305 WeakPolarHBondContact O-CB 3.24Å; E301-R305 VanDerWaalsContact O-CG 3.31Å; E301-R305 WeakPolarHBondContact O-CG 3.18Å; E301-R305 PolarHBondContact O-N 3.03Å; E301-R305 PolarHBondContact O-NE 3.32Å; E301-R305 IonicContact OE2-NH2 3.98Å
302T94.5Very high91.5Very high76 Ų7657.8 Ų57.847%0.46629%0.292SS..Hα-helixtrans-71.1-41.5179-56.50000111.1K298 T299 L300 R305 A306K298-T302 WeakPolarHBondContact O-CB 3.45Å; K298-T302 PolarHBondContact O-N 2.77Å; K298-T302 VanDerWaalsContact O-N 3.08Å; K298-T302 PolarHBondContact O-OG1 2.87Å; T299-T302 PolarHBondContact O-N 3.39Å; L300-T302 VanDerWaalsContact C-N 3.25Å; L300-T302 PolarHBondContact O-N 3.46Å; T302-R305 PolarHBondContact O-N 2.92Å; T302-A306 PolarHBondContact O-N 2.87Å
303T94Very high90Very high11 Ų1160.1 Ų60.17%0.06730%0.303CS..Hα-helixtrans-66.8-43.2176.2-49.50000111.1T299 L300 R305 A306 I307 F352 F355 Y356T299-T303 WeakPolarHBondContact O-CB 3.48Å; T299-T303 PolarHBondContact O-N 3.48Å; T299-T303 PolarHBondContact O-OG1 3.13Å; L300-T303 PolarHBondContact O-N 3.49Å; T303-R305 VanDerWaalsContact C-N 3.34Å; T303-R305 PolarHBondContact O-N 3.27Å; T303-A306 WeakPolarHBondContact O-CB 3.31Å; T303-A306 PolarHBondContact O-N 3.31Å; T303-A306 VanDerWaalsContact O-N 3.11Å; T303-I307 HydrophobicContact CG2-CD1 4.09Å; T303-I307 WeakPolarHBondContact O-CG1 3.28Å; T303-I307 PolarHBondContact O-N 3.46Å; T303-F352 HydrophobicContact CG2-CD1 4.11Å; T303-F355 HydrophobicContact CG2-CD1 3.85Å; T303-F355 HydrophobicContact CG2-CE1 4.46Å; T303-F355 WeakPolarHBondContact OG1-CE1 3.45Å; T303-Y356 HydrophobicContact CG2-CD2 4.28Å
304E93.2Very high88.3Confident32 Ų3264.8 Ų64.815%0.1533%0.333CS..Hα-helixtrans-58.1-46.3174.9-177-179.9-161.200110.9L300 A306 I307 I308 Y356 G447L300-E304 WeakPolarHBondContact O-CB 3.45Å; L300-E304 PolarHBondContact O-N 2.98Å; E304-A306 VanDerWaalsContact C-N 3.31Å; E304-A306 PolarHBondContact O-N 3.27Å; E304-I307 PolarHBondContact O-N 2.99Å; E304-I308 HydrophobicContact CG-CD1 3.97Å; E304-I308 VanDerWaalsContact O-CG1 3.3Å; E304-I308 WeakPolarHBondContact O-CG1 3.43Å; E304-I308 PolarHBondContact O-N 2.95Å; E304-Y356 HydrophobicContact CB-CD2 4.49Å; E304-Y356 HydrophobicContact CB-CE2 3.97Å; E304-G447 WeakPolarHBondContact OE1-CA 3.31Å
305R91.5Very high86.6Confident134 Ų13469 Ų6951%0.50635%0.35SS..Hα-helixtrans-60.9-38.6174.7-78.4-178-100.3118.6-5.6112.4E301 T302 T303 G309E301-R305 WeakPolarHBondContact O-CB 3.24Å; E301-R305 VanDerWaalsContact O-CG 3.31Å; E301-R305 WeakPolarHBondContact O-CG 3.18Å; E301-R305 PolarHBondContact O-N 3.03Å; E301-R305 PolarHBondContact O-NE 3.32Å; E301-R305 IonicContact OE2-NH2 3.98Å; T302-R305 PolarHBondContact O-N 2.92Å; T303-R305 VanDerWaalsContact C-N 3.34Å; T303-R305 PolarHBondContact O-N 3.27Å; R305-G309 PolarHBondContact O-N 2.6Å
306A91.2Very high85Confident34 Ų3465.4 Ų65.428%0.28134%0.337SS..Hα-helixtrans-66.6-45.4176.100000111.8T302 T303 E304 G309 M310 F352T302-A306 PolarHBondContact O-N 2.87Å; T303-A306 WeakPolarHBondContact O-CB 3.31Å; T303-A306 PolarHBondContact O-N 3.31Å; T303-A306 VanDerWaalsContact O-N 3.11Å; E304-A306 VanDerWaalsContact C-N 3.31Å; E304-A306 PolarHBondContact O-N 3.27Å; A306-G309 PolarHBondContact O-N 3.14Å; A306-M310 VanDerWaalsContact O-CG 3.32Å; A306-M310 WeakPolarHBondContact O-CG 3.38Å; A306-M310 PolarHBondContact O-N 2.73Å; A306-F352 HydrophobicContact CB-CD1 3.95Å; A306-F352 HydrophobicContact CB-CE1 3.74Å
307I91.2Very high83.5Confident15 Ų1567.3 Ų67.38%0.07735%0.347CS..Hα-helixtrans-59.2-49.6176-66.4164.4000110.3T303 E304 G309 M310 Q311 F352 E353 Y356T303-I307 HydrophobicContact CG2-CD1 4.09Å; T303-I307 WeakPolarHBondContact O-CG1 3.28Å; T303-I307 PolarHBondContact O-N 3.46Å; E304-I307 PolarHBondContact O-N 2.99Å; I307-G309 VanDerWaalsContact C-N 3.3Å; I307-G309 PolarHBondContact O-N 3.15Å; I307-M310 PolarHBondContact O-N 2.67Å; I307-Q311 HydrophobicContact CG2-CG 4.18Å; I307-Q311 WeakPolarHBondContact O-CB 3.49Å; I307-Q311 WeakPolarHBondContact O-CG 3.43Å; I307-Q311 PolarHBondContact O-N 3.47Å; I307-F352 HydrophobicContact CD1-CB 4.33Å; I307-F352 HydrophobicContact CG1-CB 3.8Å; I307-E353 HydrophobicContact CD1-CG 4.13Å; I307-E353 HydrophobicContact CG2-CG 4.43Å; I307-Y356 HydrophobicContact CD1-CG 4.25Å
308I88.5Confident82.3Confident45 Ų4571.4 Ų71.423%0.23137%0.369CS..Hα-helixtrans-59.4-43.9177.7-67.8168.5000110.5E304 M310 Q311 Q312 T450E304-I308 HydrophobicContact CG-CD1 3.97Å; E304-I308 VanDerWaalsContact O-CG1 3.3Å; E304-I308 WeakPolarHBondContact O-CG1 3.43Å; E304-I308 PolarHBondContact O-N 2.95Å; I308-M310 VanDerWaalsContact C-N 3.34Å; I308-M310 PolarHBondContact O-N 2.69Å; I308-Q311 PolarHBondContact O-N 3.12Å; I308-Q312 HydrophobicContact CG2-CG 4.45Å; I308-Q312 WeakPolarHBondContact O-CB 3.38Å; I308-Q312 VanDerWaalsContact O-CG 3.27Å; I308-Q312 WeakPolarHBondContact O-CG 3.44Å; I308-Q312 PolarHBondContact O-N 3.21Å; I308-T450 HydrophobicContact CD1-CG2 4.3Å
309G86.9Confident81Confident45 Ų4567.9 Ų67.946%0.46436%0.36SS..Hα-helixtrans-63-36.5177.400000113.6R305 A306 I307R305-G309 PolarHBondContact O-N 2.6Å; A306-G309 PolarHBondContact O-N 3.14Å; I307-G309 VanDerWaalsContact C-N 3.3Å; I307-G309 PolarHBondContact O-N 3.15Å
310M84.8Confident79.6Confident56 Ų5669.6 Ų69.628%0.27637%0.365SS..Hα-helixtrans-77.1-33.2176.3-69.1-174-68.900113A306 I307 I308 I349 F352A306-M310 VanDerWaalsContact O-CG 3.32Å; A306-M310 WeakPolarHBondContact O-CG 3.38Å; A306-M310 PolarHBondContact O-N 2.73Å; I307-M310 PolarHBondContact O-N 2.67Å; I308-M310 VanDerWaalsContact C-N 3.34Å; I308-M310 PolarHBondContact O-N 2.69Å; M310-I349 HydrophobicContact CB-CD1 4.25Å; M310-I349 HydrophobicContact CB-CG1 3.84Å; M310-I349 HydrophobicContact CE-CG1 4.45Å; M310-I349 HydrophobicContact SD-CG1 4.48Å; M310-F352 HydrophobicContact CE-CB 3.79Å; M310-F352 HydrophobicContact CE-CD1 3.64Å; M310-F352 HydrophobicContact CE-CD2 3.7Å; M310-F352 HydrophobicContact CE-CE1 4.06Å; M310-F352 HydrophobicContact CE-CE2 4.08Å; M310-F352 HydrophobicContact CE-CG 3.44Å; M310-F352 VanDerWaalsContact CE-CG 3.44Å; M310-F352 HydrophobicContact CE-CZ 4.24Å; M310-F352 HydrophobicContact SD-CD2 4.45Å; M310-F352 HydrophobicContact SD-CE2 4.4Å
311Q82.6Confident78.2Confident102 Ų10275.2 Ų75.248%0.47739%0.386SS..Hα-helixtrans-74.8-31177.3-75.8-178-14.100112.6I307 I308 Q313 I349 E353I307-Q311 HydrophobicContact CG2-CG 4.18Å; I307-Q311 WeakPolarHBondContact O-CB 3.49Å; I307-Q311 WeakPolarHBondContact O-CG 3.43Å; I307-Q311 PolarHBondContact O-N 3.47Å; I308-Q311 PolarHBondContact O-N 3.12Å; Q311-Q313 VanDerWaalsContact C-N 3.27Å; Q311-Q313 PolarHBondContact O-N 3.27Å; Q311-I349 HydrophobicContact CG-CD1 4.25Å; Q311-I349 HydrophobicContact CG-CG2 4.43Å; Q311-E353 PolarHBondContact NE2-OE1 2.9Å
312Q75Confident77.1Confident138 Ų13878.7 Ų78.765%0.64540%0.4SS*.SBendtrans-65.491.8166.6-73.5176.89.700108I308I308-Q312 HydrophobicContact CG2-CG 4.45Å; I308-Q312 WeakPolarHBondContact O-CB 3.38Å; I308-Q312 VanDerWaalsContact O-CG 3.27Å; I308-Q312 WeakPolarHBondContact O-CG 3.44Å; I308-Q312 PolarHBondContact O-N 3.21Å
313Q63.1Low75.9Confident121 Ų12176.2 Ų76.257%0.56539%0.386SS*.  trans-51.4146.6176-63.9-159.9-5.200109.6Q311 K315Q311-Q313 VanDerWaalsContact C-N 3.27Å; Q311-Q313 PolarHBondContact O-N 3.27Å; Q313-K315 PolarHBondContact O-N 2.9Å
314P59.4Low74.5Confident100 Ų10078 Ų7865%0.64940%0.395SS*.  trans-52.6119.2159.624.2-30.7000105.5V316P314-V316 PolarHBondContact O-N 3.16Å
315K57.8Low73.1Confident135 Ų13579.5 Ų79.559%0.58741%0.412SS*.  trans-47.5116-173.4-71.1-173.3-178.5-171.70107Q313 N317 E469Q313-K315 PolarHBondContact O-N 2.9Å; K315-N317 PolarHBondContact O-N 3.25Å; K315-E469 VanDerWaalsContact CD-OE1 3.3Å; K315-E469 WeakPolarHBondContact CD-OE1 3.37Å; K315-E469 VanDerWaalsContact CE-OE1 3.23Å; K315-E469 WeakPolarHBondContact CE-OE1 3.4Å; K315-E469 WeakPolarHBondContact CE-OE2 3.46Å; K315-E469 IonicContact NZ-OE1 3.98Å; K315-E469 PolarHBondContact NZ-OE1 3.35Å; K315-E469 IonicContact NZ-OE2 2.69Å; K315-E469 PolarHBondContact NZ-OE2 3.12Å
316V62Low71.8Confident49 Ų4978.3 Ų78.330%0.29742%0.416SS..  trans-52.2114.5171.3167.70000104.7P314 I318 R321P314-V316 PolarHBondContact O-N 3.16Å; V316-I318 HydrophobicContact CG1-CG1 4.22Å; V316-I318 PolarHBondContact O-N 3.38Å; V316-R321 HydrophobicContact CG1-CG 4.38Å
317N63.8Low70.3Confident54 Ų5479.8 Ų79.829%0.28942%0.424SS..  trans-71.684.1177.4-171.4-22.1000106.4K315 C319 E320 R321 C587K315-N317 PolarHBondContact O-N 3.25Å; N317-C319 PolarHBondContact O-N 3.01Å; N317-C319 WeakPolarHBondContact OD1-CB 3.29Å; N317-C319 PolarHBondContact OD1-N 3Å; N317-E320 HydrophobicContact CB-CB 3.73Å; N317-E320 VanDerWaalsContact CG-CB 3.4Å; N317-E320 WeakPolarHBondContact O-CB 3.45Å; N317-E320 PolarHBondContact O-N 3Å; N317-E320 PolarHBondContact OD1-N 2.99Å; N317-R321 PolarHBondContact O-N 3.45Å; N317-C587 PolarHBondContact ND2-O 3.38Å
318I69.2Low68.7Low109 Ų10987 Ų8756%0.55946%0.457SS*.Hα-helixtrans-55-40.7-177.3-66.9164.8000108.2V316 R321 F322V316-I318 HydrophobicContact CG1-CG1 4.22Å; V316-I318 PolarHBondContact O-N 3.38Å; I318-R321 WeakPolarHBondContact O-CB 3.2Å; I318-R321 PolarHBondContact O-N 2.83Å; I318-F322 HydrophobicContact CG2-CD2 3.75Å; I318-F322 HydrophobicContact CG2-CE2 3.72Å; I318-F322 VanDerWaalsContact O-CD2 3.31Å; I318-F322 WeakPolarHBondContact O-CD2 3.34Å; I318-F322 PolarHBondContact O-N 3.43Å
319C68.2Low67.1Low54 Ų5488.4 Ų88.437%0.36548%0.482SS..Hα-helixtrans-60.3-45.9176.9-79.20000113.2N317 R321 F322 S323 R592N317-C319 PolarHBondContact O-N 3.01Å; N317-C319 WeakPolarHBondContact OD1-CB 3.29Å; N317-C319 PolarHBondContact OD1-N 3Å; C319-R321 VanDerWaalsContact C-N 3.33Å; C319-F322 PolarHBondContact O-N 2.96Å; C319-S323 WeakPolarHBondContact O-CB 3.29Å; C319-S323 PolarHBondContact O-N 2.89Å; C319-S323 PolarHBondContact O-OG 3.24Å; C319-R592 VanDerWaalsContact CB-NH1 3.29Å; C319-R592 PolarHBondContact SG-NH1 3.36Å
320E66Low65.5Low85 Ų8592.8 Ų92.840%0.39749%0.49SS..Hα-helixtrans-61.3-41.9173.3-176.4-178.4-177.600111.1N317 F322 S323 I324N317-E320 HydrophobicContact CB-CB 3.73Å; N317-E320 VanDerWaalsContact CG-CB 3.4Å; N317-E320 WeakPolarHBondContact O-CB 3.45Å; N317-E320 PolarHBondContact O-N 3Å; N317-E320 PolarHBondContact OD1-N 2.99Å; E320-F322 PolarHBondContact O-N 3.42Å; E320-S323 WeakPolarHBondContact O-CB 3.43Å; E320-S323 PolarHBondContact O-N 2.97Å; E320-S323 VanDerWaalsContact O-N 3.09Å; E320-I324 HydrophobicContact CG-CD1 3.81Å; E320-I324 HydrophobicContact CG-CG1 4.32Å; E320-I324 VanDerWaalsContact O-CG1 3.31Å; E320-I324 WeakPolarHBondContact O-CG1 3.4Å; E320-I324 PolarHBondContact O-N 3.14Å
321R66.9Low63.9Low122 Ų12299.9 Ų99.946%0.4651%0.514SS..Hα-helixtrans-60.4-42.6176.6-69.7-169.4174.2178.45.3112.9V316 N317 I318 C319 A325V316-R321 HydrophobicContact CG1-CG 4.38Å; N317-R321 PolarHBondContact O-N 3.45Å; I318-R321 WeakPolarHBondContact O-CB 3.2Å; I318-R321 PolarHBondContact O-N 2.83Å; C319-R321 VanDerWaalsContact C-N 3.33Å; R321-A325 VanDerWaalsContact O-CB 3.28Å; R321-A325 WeakPolarHBondContact O-CB 3.37Å; R321-A325 PolarHBondContact O-N 3.31Å
322F69.2Low62.3Low135 Ų135103.5 Ų103.559%0.59253%0.531SS*.Hα-helixtrans-69.3-35.4173.5-83.4-83000112.1I318 C319 E320 A325 N326I318-F322 HydrophobicContact CG2-CD2 3.75Å; I318-F322 HydrophobicContact CG2-CE2 3.72Å; I318-F322 VanDerWaalsContact O-CD2 3.31Å; I318-F322 WeakPolarHBondContact O-CD2 3.34Å; I318-F322 PolarHBondContact O-N 3.43Å; C319-F322 PolarHBondContact O-N 2.96Å; E320-F322 PolarHBondContact O-N 3.42Å; F322-A325 PolarHBondContact O-N 2.92Å; F322-N326 VanDerWaalsContact O-CB 3.29Å; F322-N326 WeakPolarHBondContact O-CB 3.33Å; F322-N326 PolarHBondContact O-N 3.2Å; F322-N326 PolarHBondContact O-ND2 2.98Å
323S68.9Low61Low25 Ų25103 Ų10318%0.17554%0.542CS..Hα-helixtrans-63.5-49.7176.9-54.50000110.6C319 E320 A325 N326 C327C319-S323 WeakPolarHBondContact O-CB 3.29Å; C319-S323 PolarHBondContact O-N 2.89Å; C319-S323 PolarHBondContact O-OG 3.24Å; E320-S323 WeakPolarHBondContact O-CB 3.43Å; E320-S323 PolarHBondContact O-N 2.97Å; E320-S323 VanDerWaalsContact O-N 3.09Å; S323-A325 PolarHBondContact O-N 3.49Å; S323-N326 PolarHBondContact O-N 3.42Å; S323-C327 PolarHBondContact O-N 3.47Å; S323-C327 PolarHBondContact O-SG 3.39Å
324I64.2Low60.3Low49 Ų49100.6 Ų100.625%0.25154%0.539SS..Hα-helixtrans-60.2-44.7175.6-64.7167.4000110.9E320 N326 C327E320-I324 HydrophobicContact CG-CD1 3.81Å; E320-I324 HydrophobicContact CG-CG1 4.32Å; E320-I324 VanDerWaalsContact O-CG1 3.31Å; E320-I324 WeakPolarHBondContact O-CG1 3.4Å; E320-I324 PolarHBondContact O-N 3.14Å; I324-N326 PolarHBondContact O-N 3.01Å; I324-C327 WeakPolarHBondContact O-CB 3.48Å; I324-C327 PolarHBondContact O-N 3.38Å; I324-C327 VanDerWaalsContact O-N 3.17Å
325A63.7Low59.7Low62 Ų6299.7 Ų99.751%0.51253%0.534SS..Hα-helixtrans-63.5-31.5178.700000112.9R321 F322 S323R321-A325 VanDerWaalsContact O-CB 3.28Å; R321-A325 WeakPolarHBondContact O-CB 3.37Å; R321-A325 PolarHBondContact O-N 3.31Å; F322-A325 PolarHBondContact O-N 2.92Å; S323-A325 PolarHBondContact O-N 3.49Å
326N64.9Low59.4Low110 Ų110102.5 Ų102.559%0.58854%0.541SS*.Hα-helixtrans-81.3-21.5176.8-69.8-18.2000112.7F322 S323 I324 H328F322-N326 VanDerWaalsContact O-CB 3.29Å; F322-N326 WeakPolarHBondContact O-CB 3.33Å; F322-N326 PolarHBondContact O-N 3.2Å; F322-N326 PolarHBondContact O-ND2 2.98Å; S323-N326 PolarHBondContact O-N 3.42Å; I324-N326 PolarHBondContact O-N 3.01Å; N326-H328 PolarHBondContact O-N 2.95Å; N326-H328 PolarHBondContact O-ND1 3.38Å
327C59.6Low59.3Low65 Ų65104.5 Ų104.544%0.43955%0.547SS..SBendtrans-71.7108.1169.9-65.60000109.9S323 I324 G329S323-C327 PolarHBondContact O-N 3.47Å; S323-C327 PolarHBondContact O-SG 3.39Å; I324-C327 WeakPolarHBondContact O-CB 3.48Å; I324-C327 PolarHBondContact O-N 3.38Å; I324-C327 VanDerWaalsContact O-N 3.17Å; C327-G329 PolarHBondContact O-N 3Å
328H57.7Low59.1Low167 Ų167104.5 Ų104.577%0.77356%0.555SS**THydrogen-bonded Turntrans-65.37.3-170.6-76.948.6000115.9N326N326-H328 PolarHBondContact O-N 2.95Å; N326-H328 PolarHBondContact O-ND1 3.38Å
329G56.1Low59.1Low73 Ų73105.4 Ų105.475%0.75356%0.556SS**THydrogen-bonded Turntrans-114.5-9.7-170.600000117.3C327C327-G329 PolarHBondContact O-N 3Å
330Q52.6Low59.5Low138 Ų138106.3 Ų106.365%0.64557%0.568SS**  trans-130.459.8-174.1-72.9-172.7-31.200112.2Q332Q330-Q332 VanDerWaalsContact C-N 3.27Å; Q330-Q332 PolarHBondContact O-N 2.93Å
331R51.6Low60Low205 Ų205106.3 Ų106.377%0.77457%0.571SS**  trans-81.40.9178-79.5-175.1178.6173.32.2114.7
332Q48.8Very low60.4Low177 Ų177104 Ų10483%0.82757%0.565SS**SBendtrans-131.3108.2-177-67.9175.9-5.100109.2Q330Q330-Q332 VanDerWaalsContact C-N 3.27Å; Q330-Q332 PolarHBondContact O-N 2.93Å
333S46.8Very low61.1Low127 Ų127103.3 Ų103.389%0.88856%0.564SS**SBendtrans112.7-5.2153.480.20000123.4
334S48.4Very low62Low72 Ų72108.1 Ų108.150%0.50358%0.582SS.*  trans-100.20.5-172.578.70000118.5
335C47.2Very low62.9Low80 Ų80109.1 Ų109.154%0.54158%0.582SS.*SBendtrans-104.42.7-161.9-139.90000116.5
336R52.4Low64Low195 Ų195113.5 Ų113.574%0.73659%0.585SS**SBendtrans-110.2123.1169.9-72.7-172.6179.4-176.13.6108A338 E339R336-A338 PolarHBondContact O-N 2.99Å; R336-E339 IonicContact NH1-OE1 2.67Å; R336-E339 PolarHBondContact NH1-OE1 3.4Å; R336-E339 VanDerWaalsContact NH1-OE1 3.13Å
337E58.4Low65.3Low90 Ų90113.5 Ų113.542%0.42158%0.582SS.*  trans-52.6135157.7-174.8165.5-158.600108.3E339 N341 R345E337-E339 PolarHBondContact O-N 2.9Å; E337-E339 VanDerWaalsContact O-N 3.07Å; E337-N341 HydrophobicContact CG-CB 4Å; E337-R345 VanDerWaalsContact CD-NH1 3.26Å; E337-R345 IonicContact OE1-CZ 2.62Å; E337-R345 VanDerWaalsContact OE1-CZ 3.3Å; E337-R345 IonicContact OE1-NH1 2.73Å; E337-R345 PolarHBondContact OE1-NH1 3.12Å; E337-R345 IonicContact OE1-NH2 3.8Å; E337-R345 PolarHBondContact OE1-NH2 3.36Å; E337-R345 IonicContact OE2-CZ 2.92Å; E337-R345 IonicContact OE2-NH1 2.74Å; E337-R345 IonicContact OE2-NH2 3.86Å; E337-R345 PolarHBondContact OE2-NH2 3.36Å
338A61.2Low66.7Low54 Ų54112.8 Ų112.845%0.44657%0.574SS.*  trans-48.2124-178.600000108.6R336 A340 N341 Q342R336-A338 PolarHBondContact O-N 2.99Å; A338-A340 CarbonylContact O-C 3.55Å; A338-A340 PolarHBondContact O-N 3.34Å; A338-N341 WeakPolarHBondContact O-CA 3.45Å; A338-N341 WeakPolarHBondContact O-CB 3.21Å; A338-N341 PolarHBondContact O-N 3.22Å; A338-Q342 PolarHBondContact O-N 3.44Å
339E69Low68.3Low128 Ų128106.2 Ų106.260%0.59854%0.544SS*.Hα-helixtrans-53.1-30.5-174.5-67.9176.7172.800111R336 E337 Q342 Q343R336-E339 IonicContact NH1-OE1 2.67Å; R336-E339 PolarHBondContact NH1-OE1 3.4Å; R336-E339 VanDerWaalsContact NH1-OE1 3.13Å; E337-E339 PolarHBondContact O-N 2.9Å; E337-E339 VanDerWaalsContact O-N 3.07Å; E339-Q342 PolarHBondContact O-N 2.88Å; E339-Q343 VanDerWaalsContact O-CB 3.26Å; E339-Q343 WeakPolarHBondContact O-CB 3.36Å; E339-Q343 PolarHBondContact O-N 2.98Å
340A75.3Confident70Confident73 Ų73103.8 Ų103.860%0.60352%0.519SS*.Hα-helixtrans-58.3-44.2170.500000114.4A338 Q343 K344A338-A340 CarbonylContact O-C 3.55Å; A338-A340 PolarHBondContact O-N 3.34Å; A340-Q343 PolarHBondContact O-N 2.87Å; A340-K344 VanDerWaalsContact O-CB 3.29Å; A340-K344 WeakPolarHBondContact O-CB 3.43Å; A340-K344 PolarHBondContact O-N 2.9Å
341N76.3Confident72Confident86 Ų86102 Ų10246%0.4651%0.51SS..Hα-helixtrans-69.1-40.5178-72.9-11.6000111.3E337 A338 R345E337-N341 HydrophobicContact CG-CB 4Å; A338-N341 WeakPolarHBondContact O-CA 3.45Å; A338-N341 WeakPolarHBondContact O-CB 3.21Å; A338-N341 PolarHBondContact O-N 3.22Å; N341-R345 PolarHBondContact O-N 3.41Å; N341-R345 PolarHBondContact O-NH1 3.13Å
342Q77.1Confident74Confident74 Ų7496 Ų9635%0.34649%0.49SS..Hα-helixtrans-64.6-42.6175.4-171.1179.717.500111.1A338 E339 R345 R346A338-Q342 PolarHBondContact O-N 3.44Å; E339-Q342 PolarHBondContact O-N 2.88Å; Q342-R345 PolarHBondContact O-N 3.32Å; Q342-R346 VanDerWaalsContact NE2-NH2 3.17Å; Q342-R346 WeakPolarHBondContact O-CG 3.49Å; Q342-R346 PolarHBondContact O-N 3.05Å
343Q83.8Confident76.2Confident119 Ų11991.3 Ų91.356%0.55647%0.468SS*.Hα-helixtrans-66.2-44.8178-174.262.813.300111.5E339 A340 R345 R346 Q347E339-Q343 VanDerWaalsContact O-CB 3.26Å; E339-Q343 WeakPolarHBondContact O-CB 3.36Å; E339-Q343 PolarHBondContact O-N 2.98Å; A340-Q343 PolarHBondContact O-N 2.87Å; Q343-R345 VanDerWaalsContact C-N 3.35Å; Q343-R345 PolarHBondContact O-N 3.17Å; Q343-R346 WeakPolarHBondContact O-CB 3.4Å; Q343-R346 PolarHBondContact O-N 3.5Å; Q343-R346 VanDerWaalsContact O-N 3.16Å; Q343-Q347 PolarHBondContact O-N 2.93Å
344K87.1Confident78.6Confident127 Ų12790.7 Ų90.755%0.55246%0.455SS*.Hα-helixtrans-56.8-47.6175.4-176.9177.4178.5-179.60111.2A340 R346 Q347 D348A340-K344 VanDerWaalsContact O-CB 3.29Å; A340-K344 WeakPolarHBondContact O-CB 3.43Å; A340-K344 PolarHBondContact O-N 2.9Å; K344-R346 VanDerWaalsContact C-N 3.34Å; K344-R346 PolarHBondContact O-N 2.63Å; K344-Q347 WeakPolarHBondContact O-CB 3.48Å; K344-Q347 PolarHBondContact O-N 3.49Å; K344-Q347 VanDerWaalsContact O-N 3.15Å; K344-D348 PolarHBondContact O-N 3.02Å
345R83.2Confident80.9Confident69 Ų6991.8 Ų91.826%0.2645%0.451SS..Hα-helixtrans-63.2-37.3176.5-75.8-161.5-50.8-75.21.8113.8E337 N341 Q342 Q343 Q347 D348 I349E337-R345 VanDerWaalsContact CD-NH1 3.26Å; E337-R345 IonicContact OE1-CZ 2.62Å; E337-R345 VanDerWaalsContact OE1-CZ 3.3Å; E337-R345 IonicContact OE1-NH1 2.73Å; E337-R345 PolarHBondContact OE1-NH1 3.12Å; E337-R345 IonicContact OE1-NH2 3.8Å; E337-R345 PolarHBondContact OE1-NH2 3.36Å; E337-R345 IonicContact OE2-CZ 2.92Å; E337-R345 IonicContact OE2-NH1 2.74Å; E337-R345 IonicContact OE2-NH2 3.86Å; E337-R345 PolarHBondContact OE2-NH2 3.36Å; N341-R345 PolarHBondContact O-N 3.41Å; N341-R345 PolarHBondContact O-NH1 3.13Å; Q342-R345 PolarHBondContact O-N 3.32Å; Q343-R345 VanDerWaalsContact C-N 3.35Å; Q343-R345 PolarHBondContact O-N 3.17Å; R345-Q347 VanDerWaalsContact C-N 3.29Å; R345-D348 PolarHBondContact O-N 3.47Å; R345-I349 WeakPolarHBondContact O-CB 3.39Å; R345-I349 VanDerWaalsContact O-CG1 3.25Å; R345-I349 WeakPolarHBondContact O-CG1 3.46Å; R345-I349 PolarHBondContact O-N 3.46Å
346R86.7Confident83.2Confident155 Ų15589.8 Ų89.859%0.58543%0.432SS*.Hα-helixtrans-63.3-40.2174.8-73.8175.8-175.1-143.46.3111.1Q342 Q343 K344 G350Q342-R346 VanDerWaalsContact NE2-NH2 3.17Å; Q342-R346 WeakPolarHBondContact O-CG 3.49Å; Q342-R346 PolarHBondContact O-N 3.05Å; Q343-R346 WeakPolarHBondContact O-CB 3.4Å; Q343-R346 PolarHBondContact O-N 3.5Å; Q343-R346 VanDerWaalsContact O-N 3.16Å; K344-R346 VanDerWaalsContact C-N 3.34Å; K344-R346 PolarHBondContact O-N 2.63Å; R346-G350 PolarHBondContact O-N 3.02Å
347Q91.2Very high85.3Confident109 Ų10985.3 Ų85.351%0.50942%0.422SS..Hα-helixtrans-63.2-50.8173.5-178.9-179.2-8.100110.9Q343 K344 R345 I349 G350 E351Q343-Q347 PolarHBondContact O-N 2.93Å; K344-Q347 WeakPolarHBondContact O-CB 3.48Å; K344-Q347 PolarHBondContact O-N 3.49Å; K344-Q347 VanDerWaalsContact O-N 3.15Å; R345-Q347 VanDerWaalsContact C-N 3.29Å; Q347-I349 VanDerWaalsContact C-N 3.34Å; Q347-I349 PolarHBondContact O-N 3.21Å; Q347-G350 WeakPolarHBondContact O-CA 3.21Å; Q347-G350 PolarHBondContact O-N 2.67Å; Q347-G350 VanDerWaalsContact O-N 3.07Å; Q347-E351 HydrophobicContact CG-CG 4.48Å; Q347-E351 WeakPolarHBondContact CG-OE1 3.48Å; Q347-E351 PolarHBondContact NE2-OE1 3.43Å; Q347-E351 WeakPolarHBondContact O-CG 3.28Å; Q347-E351 PolarHBondContact O-N 3.08Å
348D90.7Very high87.2Confident50 Ų5086 Ų8627%0.26743%0.429SS..Hα-helixtrans-56.7-46.3178.3-61.8-22.1000111K344 R345 G350 E351 F352K344-D348 PolarHBondContact O-N 3.02Å; R345-D348 PolarHBondContact O-N 3.47Å; D348-G350 VanDerWaalsContact C-N 3.35Å; D348-G350 PolarHBondContact O-N 3.45Å; D348-E351 PolarHBondContact O-N 3.24Å; D348-F352 WeakPolarHBondContact O-CD2 3.42Å; D348-F352 PolarHBondContact O-N 2.96Å
349I90.2Very high88.9Confident29 Ų2986 Ų8615%0.14942%0.419CS..Hα-helixtrans-60.7-44.4176.1-69.2166000110.9M310 Q311 R345 Q347 E351 F352 E353M310-I349 HydrophobicContact CB-CD1 4.25Å; M310-I349 HydrophobicContact CB-CG1 3.84Å; M310-I349 HydrophobicContact CE-CG1 4.45Å; M310-I349 HydrophobicContact SD-CG1 4.48Å; Q311-I349 HydrophobicContact CG-CD1 4.25Å; Q311-I349 HydrophobicContact CG-CG2 4.43Å; R345-I349 WeakPolarHBondContact O-CB 3.39Å; R345-I349 VanDerWaalsContact O-CG1 3.25Å; R345-I349 WeakPolarHBondContact O-CG1 3.46Å; R345-I349 PolarHBondContact O-N 3.46Å; Q347-I349 VanDerWaalsContact C-N 3.34Å; Q347-I349 PolarHBondContact O-N 3.21Å; I349-E351 PolarHBondContact O-N 2.95Å; I349-F352 PolarHBondContact O-N 3.29Å; I349-E353 HydrophobicContact CG2-CG 4.26Å; I349-E353 WeakPolarHBondContact O-CB 3.39Å; I349-E353 WeakPolarHBondContact O-CG 3.42Å; I349-E353 PolarHBondContact O-N 3.34Å
350G92.8Very high90.2Very high22 Ų2282.8 Ų82.823%0.22740%0.403CS..Hα-helixtrans-60.5-43.7177.600000112.8R346 Q347 D348 F352 E353 D354R346-G350 PolarHBondContact O-N 3.02Å; Q347-G350 WeakPolarHBondContact O-CA 3.21Å; Q347-G350 PolarHBondContact O-N 2.67Å; Q347-G350 VanDerWaalsContact O-N 3.07Å; D348-G350 VanDerWaalsContact C-N 3.35Å; D348-G350 PolarHBondContact O-N 3.45Å; G350-F352 VanDerWaalsContact C-N 3.34Å; G350-F352 PolarHBondContact O-N 3.45Å; G350-E353 PolarHBondContact O-N 3.49Å; G350-D354 PolarHBondContact O-N 3.36Å
351E94.5Very high91.2Very high101 Ų10185 Ų8547%0.47240%0.401SS..Hα-helixtrans-62.1-40.4176.6-70.9176.8-166.100111.9Q347 D348 I349 F355Q347-E351 HydrophobicContact CG-CG 4.48Å; Q347-E351 WeakPolarHBondContact CG-OE1 3.48Å; Q347-E351 PolarHBondContact NE2-OE1 3.43Å; Q347-E351 WeakPolarHBondContact O-CG 3.28Å; Q347-E351 PolarHBondContact O-N 3.08Å; D348-E351 PolarHBondContact O-N 3.24Å; I349-E351 PolarHBondContact O-N 2.95Å; E351-F355 WeakPolarHBondContact O-CB 3.42Å; E351-F355 PolarHBondContact O-N 3.35Å
352F93.6Very high92.2Very high80 Ų8085 Ų8535%0.35140%0.398SS..Hα-helixtrans-69.9-37.5175.3-85.3-112000112.7T303 A306 I307 M310 D348 I349 G350 F355 Y356T303-F352 HydrophobicContact CG2-CD1 4.11Å; A306-F352 HydrophobicContact CB-CD1 3.95Å; A306-F352 HydrophobicContact CB-CE1 3.74Å; I307-F352 HydrophobicContact CD1-CB 4.33Å; I307-F352 HydrophobicContact CG1-CB 3.8Å; M310-F352 HydrophobicContact CE-CB 3.79Å; M310-F352 HydrophobicContact CE-CD1 3.64Å; M310-F352 HydrophobicContact CE-CD2 3.7Å; M310-F352 HydrophobicContact CE-CE1 4.06Å; M310-F352 HydrophobicContact CE-CE2 4.08Å; M310-F352 HydrophobicContact CE-CG 3.44Å; M310-F352 VanDerWaalsContact CE-CG 3.44Å; M310-F352 HydrophobicContact CE-CZ 4.24Å; M310-F352 HydrophobicContact SD-CD2 4.45Å; M310-F352 HydrophobicContact SD-CE2 4.4Å; D348-F352 WeakPolarHBondContact O-CD2 3.42Å; D348-F352 PolarHBondContact O-N 2.96Å; I349-F352 PolarHBondContact O-N 3.29Å; G350-F352 VanDerWaalsContact C-N 3.34Å; G350-F352 PolarHBondContact O-N 3.45Å; F352-F355 PolarHBondContact O-N 2.89Å; F352-Y356 VanDerWaalsContact O-CB 3.27Å; F352-Y356 WeakPolarHBondContact O-CB 3.48Å; F352-Y356 PolarHBondContact O-N 3.24Å
353E94.7Very high93.1Very high78 Ų7882.5 Ų82.536%0.36439%0.386SS..Hα-helixtrans-63.7-45174.7-76.9177.6173.200111I307 Q311 I349 G350 Y356 L357I307-E353 HydrophobicContact CD1-CG 4.13Å; I307-E353 HydrophobicContact CG2-CG 4.43Å; Q311-E353 PolarHBondContact NE2-OE1 2.9Å; I349-E353 HydrophobicContact CG2-CG 4.26Å; I349-E353 WeakPolarHBondContact O-CB 3.39Å; I349-E353 WeakPolarHBondContact O-CG 3.42Å; I349-E353 PolarHBondContact O-N 3.34Å; G350-E353 PolarHBondContact O-N 3.49Å; E353-Y356 WeakPolarHBondContact O-CB 3.27Å; E353-Y356 PolarHBondContact O-N 2.98Å; E353-L357 WeakPolarHBondContact O-CB 3.35Å; E353-L357 VanDerWaalsContact O-CG 3.29Å; E353-L357 WeakPolarHBondContact O-CG 3.45Å; E353-L357 PolarHBondContact O-N 3.46Å
354D96.1Very high93.6Very high114 Ų11481.2 Ų81.261%0.6138%0.383SS*.Hα-helixtrans-62-44.7175.3-76.9-22.6000111.6G350 Y356 L357 N358G350-D354 PolarHBondContact O-N 3.36Å; D354-Y356 PolarHBondContact O-N 2.74Å; D354-L357 PolarHBondContact O-N 2.89Å; D354-N358 WeakPolarHBondContact O-CB 3.42Å; D354-N358 PolarHBondContact O-N 3.48Å
355F96.8Very high94.1Very high94 Ų9480.6 Ų80.641%0.41239%0.385SS..Hα-helixtrans-60.4-44.7174.1179.1-98.7000111.7T299 T303 E351 F352 N358 K359T299-F355 HydrophobicContact CG2-CE1 3.77Å; T299-F355 HydrophobicContact CG2-CZ 3.89Å; T303-F355 HydrophobicContact CG2-CD1 3.85Å; T303-F355 HydrophobicContact CG2-CE1 4.46Å; T303-F355 WeakPolarHBondContact OG1-CE1 3.45Å; E351-F355 WeakPolarHBondContact O-CB 3.42Å; E351-F355 PolarHBondContact O-N 3.35Å; F352-F355 PolarHBondContact O-N 2.89Å; F355-N358 PolarHBondContact O-N 2.93Å; F355-K359 HydrophobicContact CD1-CG 4.33Å; F355-K359 HydrophobicContact CE1-CG 3.94Å; F355-K359 HydrophobicContact CE2-CG 4.19Å; F355-K359 HydrophobicContact CZ-CD 4.35Å; F355-K359 HydrophobicContact CZ-CG 3.87Å; F355-K359 WeakPolarHBondContact O-CB 3.3Å; F355-K359 WeakPolarHBondContact O-CG 3.35Å; F355-K359 PolarHBondContact O-N 2.94Å
356Y96.9Very high94.6Very high38 Ų3878.2 Ų78.215%0.14938%0.379CS..Hα-helixtrans-59.7-48.6176.5178.4-93.4000111.2L300 T303 E304 I307 F352 E353 D354 N358 K359 F360 I446L300-Y356 HydrophobicContact CB-CE2 4.17Å; L300-Y356 HydrophobicContact CD2-CD2 3.61Å; L300-Y356 HydrophobicContact CD2-CE2 3.6Å; L300-Y356 HydrophobicContact CD2-CG 4.21Å; L300-Y356 WeakPolarHBondContact CD2-O 3.44Å; T303-Y356 HydrophobicContact CG2-CD2 4.28Å; E304-Y356 HydrophobicContact CB-CD2 4.49Å; E304-Y356 HydrophobicContact CB-CE2 3.97Å; I307-Y356 HydrophobicContact CD1-CG 4.25Å; F352-Y356 VanDerWaalsContact O-CB 3.27Å; F352-Y356 WeakPolarHBondContact O-CB 3.48Å; F352-Y356 PolarHBondContact O-N 3.24Å; E353-Y356 WeakPolarHBondContact O-CB 3.27Å; E353-Y356 PolarHBondContact O-N 2.98Å; D354-Y356 PolarHBondContact O-N 2.74Å; Y356-N358 PolarHBondContact O-N 3.21Å; Y356-K359 PolarHBondContact O-N 2.94Å; Y356-F360 HydrophobicContact CE1-CB 4.47Å; Y356-F360 WeakPolarHBondContact O-CB 3.48Å; Y356-F360 PolarHBondContact O-N 2.85Å; Y356-I446 WeakPolarHBondContact OH-CG2 3.5Å
357L96.6Very high95.1Very high101 Ų10172 Ų7253%0.52936%0.362SS..Hα-helixtrans-62.4-41-180-72.1175000112E353 D354 F360 Q361E353-L357 WeakPolarHBondContact O-CB 3.35Å; E353-L357 VanDerWaalsContact O-CG 3.29Å; E353-L357 WeakPolarHBondContact O-CG 3.45Å; E353-L357 PolarHBondContact O-N 3.46Å; D354-L357 PolarHBondContact O-N 2.89Å; L357-F360 PolarHBondContact O-N 3.13Å; L357-Q361 PolarHBondContact O-N 3.12Å
358N96.7Very high95.3Very high104 Ų10470.8 Ų70.856%0.55636%0.36SS*.Hα-helixtrans-64.5-47.5176.8-165.3-51.3000111.5D354 F355 Y356 F360 Q361 Q362D354-N358 WeakPolarHBondContact O-CB 3.42Å; D354-N358 PolarHBondContact O-N 3.48Å; F355-N358 PolarHBondContact O-N 2.93Å; Y356-N358 PolarHBondContact O-N 3.21Å; N358-F360 VanDerWaalsContact C-N 3.26Å; N358-F360 PolarHBondContact O-N 3.04Å; N358-Q361 PolarHBondContact O-N 3.41Å; N358-Q362 PolarHBondContact O-N 3.48Å
359K96.7Very high95.6Very high56 Ų5671 Ų7124%0.24336%0.36CS..Hα-helixtrans-63.2-33.5174.2-69.8-62.1179.3-172.80112.6V296 T299 L300 F355 Y356 Q362 F363V296-K359 WeakPolarHBondContact CG1-O 3.34Å; T299-K359 HydrophobicContact CG2-CD 4.49Å; T299-K359 HydrophobicContact CG2-CG 4.3Å; L300-K359 HydrophobicContact CD2-CB 3.71Å; L300-K359 HydrophobicContact CG-CB 4.19Å; F355-K359 HydrophobicContact CD1-CG 4.33Å; F355-K359 HydrophobicContact CE1-CG 3.94Å; F355-K359 HydrophobicContact CE2-CG 4.19Å; F355-K359 HydrophobicContact CZ-CD 4.35Å; F355-K359 HydrophobicContact CZ-CG 3.87Å; F355-K359 WeakPolarHBondContact O-CB 3.3Å; F355-K359 WeakPolarHBondContact O-CG 3.35Å; F355-K359 PolarHBondContact O-N 2.94Å; Y356-K359 PolarHBondContact O-N 2.94Å; K359-Q362 WeakPolarHBondContact O-CB 3.33Å; K359-Q362 PolarHBondContact O-N 3.2Å; K359-F363 WeakPolarHBondContact O-CB 3.45Å; K359-F363 PolarHBondContact O-N 2.94Å
360F97Very high95.9Very high59 Ų5970.4 Ų70.426%0.25936%0.357SS..Hα-helixtrans-70-42.2178.5-178.2-105.4000110.7L300 Y356 L357 N358 Q362 F363 L364 I446L300-F360 HydrophobicContact CD1-CD2 4.37Å; L300-F360 HydrophobicContact CD2-CB 3.92Å; Y356-F360 HydrophobicContact CE1-CB 4.47Å; Y356-F360 WeakPolarHBondContact O-CB 3.48Å; Y356-F360 PolarHBondContact O-N 2.85Å; L357-F360 PolarHBondContact O-N 3.13Å; N358-F360 VanDerWaalsContact C-N 3.26Å; N358-F360 PolarHBondContact O-N 3.04Å; F360-Q362 PolarHBondContact O-N 3.44Å; F360-F363 WeakPolarHBondContact O-CB 3.47Å; F360-F363 PolarHBondContact O-N 3.28Å; F360-L364 HydrophobicContact CD1-CD1 3.88Å; F360-L364 HydrophobicContact CD1-CG 4.34Å; F360-L364 HydrophobicContact CE1-CD1 3.46Å; F360-L364 VanDerWaalsContact CE1-CD1 3.46Å; F360-L364 HydrophobicContact CE1-CG 4.09Å; F360-L364 HydrophobicContact CZ-CD1 3.96Å; F360-L364 HydrophobicContact CZ-CD2 4.24Å; F360-L364 HydrophobicContact CZ-CG 4.21Å; F360-L364 WeakPolarHBondContact O-CG 3.45Å; F360-L364 PolarHBondContact O-N 2.85Å; F360-I446 HydrophobicContact CD2-CD1 4.06Å; F360-I446 HydrophobicContact CE2-CD1 3.43Å; F360-I446 VanDerWaalsContact CE2-CD1 3.43Å; F360-I446 HydrophobicContact CE2-CG1 4.49Å; F360-I446 HydrophobicContact CE2-CG2 4Å; F360-I446 HydrophobicContact CZ-CD1 4.44Å
361Q97.3Very high96Very high119 Ų11973.1 Ų73.156%0.55637%0.373SS*.Hα-helixtrans-59.1-46.2171-177.3-178.4-3.400111.5L357 N358 F363 L364 L365L357-Q361 PolarHBondContact O-N 3.12Å; N358-Q361 PolarHBondContact O-N 3.41Å; Q361-F363 VanDerWaalsContact C-N 3.31Å; Q361-F363 PolarHBondContact O-N 2.95Å; Q361-L364 PolarHBondContact O-N 3.39Å; Q361-L365 HydrophobicContact CG-CD1 4.11Å; Q361-L365 WeakPolarHBondContact O-CG 3.39Å; Q361-L365 PolarHBondContact O-N 3Å
362Q95.7Very high96.1Very high86 Ų8675.1 Ų75.140%0.40238%0.376SS..Hα-helixtrans-57-45.6174.7-174.8-175.56.200111.3V296 N358 K359 F360 S366V296-Q362 HydrophobicContact CG2-CG 4.47Å; N358-Q362 PolarHBondContact O-N 3.48Å; K359-Q362 WeakPolarHBondContact O-CB 3.33Å; K359-Q362 PolarHBondContact O-N 3.2Å; F360-Q362 PolarHBondContact O-N 3.44Å; Q362-S366 VanDerWaalsContact O-CB 3.28Å; Q362-S366 WeakPolarHBondContact O-CB 3.14Å; Q362-S366 PolarHBondContact O-N 2.86Å
363F96.5Very high96.3Very high23 Ų2372.3 Ų72.310%0.10137%0.365CS..Hα-helixtrans-61.3-45.3177.8-179.8-97.9000112.3S293 V296 W297 L300 K359 F360 Q361 G367 I446S293-F363 WeakPolarHBondContact OG-CE2 3.09Å; V296-F363 HydrophobicContact CG1-CB 3.81Å; V296-F363 HydrophobicContact CG1-CD2 4.37Å; W297-F363 HydrophobicContact CB-CD2 4.41Å; W297-F363 HydrophobicContact CB-CE2 4.03Å; W297-F363 HydrophobicContact CD2-CE2 4.41Å; W297-F363 HydrophobicContact CD2-CZ 4.46Å; W297-F363 HydrophobicContact CE3-CD2 4.27Å; W297-F363 AromaticContact CE3-CE1 3.85Å; W297-F363 HydrophobicContact CE3-CE1 3.85Å; W297-F363 AromaticContact CE3-CE2 3.57Å; W297-F363 HydrophobicContact CE3-CE2 3.57Å; W297-F363 AromaticContact CE3-CZ 3.33Å; W297-F363 HydrophobicContact CE3-CZ 3.33Å; W297-F363 AromaticContact CZ3-CE1 3.88Å; W297-F363 HydrophobicContact CZ3-CE1 3.88Å; W297-F363 HydrophobicContact CZ3-CE2 4.36Å; W297-F363 AromaticContact CZ3-CZ 3.67Å; W297-F363 HydrophobicContact CZ3-CZ 3.67Å; L300-F363 HydrophobicContact CD1-CB 3.68Å; L300-F363 HydrophobicContact CD1-CD1 4.43Å; L300-F363 HydrophobicContact CD1-CD2 4.37Å; L300-F363 HydrophobicContact CD1-CG 3.9Å; K359-F363 WeakPolarHBondContact O-CB 3.45Å; K359-F363 PolarHBondContact O-N 2.94Å; F360-F363 WeakPolarHBondContact O-CB 3.47Å; F360-F363 PolarHBondContact O-N 3.28Å; Q361-F363 VanDerWaalsContact C-N 3.31Å; Q361-F363 PolarHBondContact O-N 2.95Å; F363-G367 PolarHBondContact O-N 3.05Å; F363-I446 HydrophobicContact CD1-CD1 3.96Å; F363-I446 HydrophobicContact CE1-CD1 3.75Å
364L95.4Very high96.3Very high92 Ų9270.9 Ų70.948%0.48236%0.359SS..Hα-helixtrans-64-45.2179.1-71.9179.9000112.3F360 Q361 G367 N368F360-L364 HydrophobicContact CD1-CD1 3.88Å; F360-L364 HydrophobicContact CD1-CG 4.34Å; F360-L364 HydrophobicContact CE1-CD1 3.46Å; F360-L364 VanDerWaalsContact CE1-CD1 3.46Å; F360-L364 HydrophobicContact CE1-CG 4.09Å; F360-L364 HydrophobicContact CZ-CD1 3.96Å; F360-L364 HydrophobicContact CZ-CD2 4.24Å; F360-L364 HydrophobicContact CZ-CG 4.21Å; F360-L364 WeakPolarHBondContact O-CG 3.45Å; F360-L364 PolarHBondContact O-N 2.85Å; Q361-L364 PolarHBondContact O-N 3.39Å; L364-G367 PolarHBondContact O-N 3.47Å; L364-N368 WeakPolarHBondContact O-CB 3.28Å; L364-N368 PolarHBondContact O-N 3.36Å
365L96Very high96.2Very high113 Ų11368.1 Ų68.159%0.59235%0.352SS*.Hα-helixtrans-66.1-42.6178.6-69.1175000111.8Q361 N368 L369Q361-L365 HydrophobicContact CG-CD1 4.11Å; Q361-L365 WeakPolarHBondContact O-CG 3.39Å; Q361-L365 PolarHBondContact O-N 3Å; L365-N368 PolarHBondContact O-N 3.49Å; L365-L369 PolarHBondContact O-N 2.84Å
366S95.5Very high96.1Very high20 Ų2071.4 Ų71.414%0.1436%0.362CS..Hα-helixtrans-62.6-45.9174.4-178.50000111.4Q362 N368 L369 I370Q362-S366 VanDerWaalsContact O-CB 3.28Å; Q362-S366 WeakPolarHBondContact O-CB 3.14Å; Q362-S366 PolarHBondContact O-N 2.86Å; S366-N368 VanDerWaalsContact C-N 3.32Å; S366-N368 PolarHBondContact O-N 3.36Å; S366-L369 PolarHBondContact O-N 3.47Å; S366-L369 VanDerWaalsContact O-N 3.13Å; S366-I370 VanDerWaalsContact O-CG1 3.29Å; S366-I370 WeakPolarHBondContact O-CG1 3.42Å; S366-I370 PolarHBondContact O-N 3.46Å
367G95.6Very high96Very high23 Ų2371 Ų7124%0.23736%0.361CS..Hα-helixtrans-60.8-36.7175.900000113.8F363 L364 S371F363-G367 PolarHBondContact O-N 3.05Å; L364-G367 PolarHBondContact O-N 3.47Å; G367-S371 WeakPolarHBondContact O-CB 3.34Å; G367-S371 PolarHBondContact O-N 3.36Å; G367-S371 PolarHBondContact O-OG 3.5Å
368N96.1Very high95.8Very high85 Ų8568.8 Ų68.846%0.45536%0.358SS..Hα-helixtrans-65.3-45172.4-178.3-82.5000111.7L364 L365 S366 S371 R372L364-N368 WeakPolarHBondContact O-CB 3.28Å; L364-N368 PolarHBondContact O-N 3.36Å; L365-N368 PolarHBondContact O-N 3.49Å; S366-N368 VanDerWaalsContact C-N 3.32Å; S366-N368 PolarHBondContact O-N 3.36Å; N368-S371 PolarHBondContact O-N 3.04Å; N368-R372 WeakPolarHBondContact O-CG 3.33Å; N368-R372 PolarHBondContact O-N 3.04Å; N368-R372 VanDerWaalsContact O-N 3.08Å; N368-R372 PolarHBondContact OD1-NE 3.01Å
369L96.8Very high95.6Very high53 Ų5367.2 Ų67.228%0.27735%0.352SS..Hα-helixtrans-61.9-45.9176.4179.360.9000111.7L289 L365 S366 S371 R372 L373L289-L369 HydrophobicContact CD1-CD2 3.7Å; L289-L369 HydrophobicContact CD1-CG 3.95Å; L289-L369 HydrophobicContact CD2-CD2 4.17Å; L365-L369 PolarHBondContact O-N 2.84Å; S366-L369 PolarHBondContact O-N 3.47Å; S366-L369 VanDerWaalsContact O-N 3.13Å; L369-S371 PolarHBondContact O-N 3.3Å; L369-R372 PolarHBondContact O-N 3.15Å; L369-L373 HydrophobicContact CD1-CD1 4.05Å; L369-L373 HydrophobicContact CD1-CD2 4.48Å; L369-L373 HydrophobicContact CD1-CG 4.01Å; L369-L373 HydrophobicContact CG-CD1 4.07Å; L369-L373 HydrophobicContact CG-CG 4.37Å; L369-L373 WeakPolarHBondContact O-CG 3.41Å; L369-L373 PolarHBondContact O-N 3.39Å
370I96.4Very high95.4Very high17 Ų1765.5 Ų65.59%0.08735%0.345CS..Hα-helixtrans-56.2-50.6176.2-68.7164.8000110.1L286 L289 K290 S366 R372 L373 D374L286-I370 HydrophobicContact CD2-CG2 4.28Å; L289-I370 HydrophobicContact CB-CD1 4.19Å; L289-I370 HydrophobicContact CB-CG1 3.76Å; K290-I370 HydrophobicContact CG-CD1 4.31Å; K290-I370 HydrophobicContact CG-CG2 4.08Å; S366-I370 VanDerWaalsContact O-CG1 3.29Å; S366-I370 WeakPolarHBondContact O-CG1 3.42Å; S366-I370 PolarHBondContact O-N 3.46Å; I370-R372 VanDerWaalsContact C-N 3.29Å; I370-R372 PolarHBondContact O-N 2.86Å; I370-L373 PolarHBondContact O-N 3.11Å; I370-D374 WeakPolarHBondContact CG2-OD2 3.33Å; I370-D374 WeakPolarHBondContact O-CB 3.32Å; I370-D374 PolarHBondContact O-N 2.97Å
371S95.1Very high95Very high79 Ų7965.6 Ų65.655%0.55235%0.346SS*.Hα-helixtrans-56.8-40.7178.3-60.10000112.7G367 N368 L369 A375G367-S371 WeakPolarHBondContact O-CB 3.34Å; G367-S371 PolarHBondContact O-N 3.36Å; G367-S371 PolarHBondContact O-OG 3.5Å; N368-S371 PolarHBondContact O-N 3.04Å; L369-S371 PolarHBondContact O-N 3.3Å; S371-A375 WeakPolarHBondContact O-CB 3.5Å; S371-A375 PolarHBondContact O-N 2.97Å
372R96.7Very high94.6Very high144 Ų14464.8 Ų64.854%0.54335%0.353SS..Hα-helixtrans-68.5-42177.7-72.4-171.8-68.5162.11112.6N368 L369 I370 R376N368-R372 WeakPolarHBondContact O-CG 3.33Å; N368-R372 PolarHBondContact O-N 3.04Å; N368-R372 VanDerWaalsContact O-N 3.08Å; N368-R372 PolarHBondContact OD1-NE 3.01Å; L369-R372 PolarHBondContact O-N 3.15Å; I370-R372 VanDerWaalsContact C-N 3.29Å; I370-R372 PolarHBondContact O-N 2.86Å; R372-R376 PolarHBondContact O-N 3.28Å
373L97Very high94.3Very high21 Ų2161.8 Ų61.811%0.1134%0.343CS..Hα-helixtrans-73-38.8179.2-65.4-178.2000111.9L282 R285 L286 L289 L369 I370 A375 R376 F377L282-L373 HydrophobicContact CD2-CB 4.43Å; L282-L373 HydrophobicContact CD2-CD2 3.78Å; R285-L373 HydrophobicContact CG-CD1 4.01Å; L286-L373 HydrophobicContact CD2-CB 3.7Å; L286-L373 HydrophobicContact CG-CB 4.09Å; L289-L373 HydrophobicContact CD1-CD1 3.6Å; L369-L373 HydrophobicContact CD1-CD1 4.05Å; L369-L373 HydrophobicContact CD1-CD2 4.48Å; L369-L373 HydrophobicContact CD1-CG 4.01Å; L369-L373 HydrophobicContact CG-CD1 4.07Å; L369-L373 HydrophobicContact CG-CG 4.37Å; L369-L373 WeakPolarHBondContact O-CG 3.41Å; L369-L373 PolarHBondContact O-N 3.39Å; I370-L373 PolarHBondContact O-N 3.11Å; L373-A375 VanDerWaalsContact C-N 3.32Å; L373-A375 PolarHBondContact O-N 3.39Å; L373-R376 PolarHBondContact O-N 2.97Å; L373-F377 WeakPolarHBondContact O-CB 3.28Å; L373-F377 PolarHBondContact O-N 2.99Å
374D95.3Very high93.8Very high48 Ų4861.8 Ų61.826%0.25734%0.344SS..Hα-helixtrans-60.8-41.6175.4-93.3-37000110.7L286 K290 I370 F377 A378L286-D374 WeakPolarHBondContact CD1-OD1 3.03Å; L286-D374 HydrophobicContact CD2-CB 4.33Å; L286-D374 WeakPolarHBondContact CD2-OD1 3.31Å; K290-D374 WeakPolarHBondContact CE-OD2 3.36Å; K290-D374 IonicContact NZ-OD1 3.97Å; K290-D374 PolarHBondContact NZ-OD1 3.46Å; K290-D374 IonicContact NZ-OD2 2.69Å; K290-D374 PolarHBondContact NZ-OD2 3.19Å; I370-D374 WeakPolarHBondContact CG2-OD2 3.33Å; I370-D374 WeakPolarHBondContact O-CB 3.32Å; I370-D374 PolarHBondContact O-N 2.97Å; D374-F377 PolarHBondContact O-N 3.29Å; D374-A378 VanDerWaalsContact O-CB 3.31Å; D374-A378 WeakPolarHBondContact O-CB 3.42Å; D374-A378 PolarHBondContact O-N 2.89Å
375A93.9Very high92.9Very high56 Ų5659.8 Ų59.846%0.46335%0.346SS..Hα-helixtrans-61-45.2175.300000112S371 L373 T379S371-A375 WeakPolarHBondContact O-CB 3.5Å; S371-A375 PolarHBondContact O-N 2.97Å; L373-A375 VanDerWaalsContact C-N 3.32Å; L373-A375 PolarHBondContact O-N 3.39Å; A375-T379 PolarHBondContact O-N 3.37Å; A375-T379 VanDerWaalsContact O-N 3.1Å; A375-T379 PolarHBondContact O-OG1 2.98Å
376R95Very high91.1Very high162 Ų16257.3 Ų57.361%0.61134%0.335SS*.Hα-helixtrans-64.6-44176.2-69.3177.7-179.8-176.6-1.6112L282 R372 L373 T379 I380L282-R376 HydrophobicContact CD1-CB 4.12Å; R372-R376 PolarHBondContact O-N 3.28Å; L373-R376 PolarHBondContact O-N 2.97Å; R376-T379 PolarHBondContact O-N 3.18Å; R376-I380 WeakPolarHBondContact O-CG1 3.35Å; R376-I380 PolarHBondContact O-N 3.38Å
377F94Very high88.7Confident29 Ų2963.4 Ų63.413%0.12737%0.365CS..Hα-helixtrans-60.6-46.2178175.5-101.9000111.4Y279 L282 H283 L286 L373 D374 T379 I380 K381Y279-F377 HydrophobicContact CD2-CD2 4.05Å; Y279-F377 AromaticContact CD2-CE2 3.52Å; Y279-F377 HydrophobicContact CD2-CE2 3.52Å; Y279-F377 HydrophobicContact CD2-CZ 4.21Å; Y279-F377 HydrophobicContact CE1-CE2 4.28Å; Y279-F377 HydrophobicContact CE2-CD2 4.15Å; Y279-F377 HydrophobicContact CE2-CE1 4.49Å; Y279-F377 AromaticContact CE2-CE2 3.25Å; Y279-F377 HydrophobicContact CE2-CE2 3.25Å; Y279-F377 AromaticContact CE2-CZ 3.48Å; Y279-F377 HydrophobicContact CE2-CZ 3.48Å; Y279-F377 VanDerWaalsContact CE2-CZ 3.48Å; Y279-F377 HydrophobicContact CG-CE2 4.15Å; Y279-F377 AromaticContact CZ-CE2 3.67Å; Y279-F377 AromaticContact CZ-CZ 3.74Å; L282-F377 HydrophobicContact CB-CB 4.31Å; L282-F377 HydrophobicContact CB-CD2 4.04Å; L282-F377 HydrophobicContact CD1-CB 4.35Å; H283-F377 HydrophobicContact CB-CD2 4.47Å; H283-F377 HydrophobicContact CB-CE2 3.79Å; H283-F377 HydrophobicContact CB-CZ 4.39Å; H283-F377 AromaticContact CD2-CZ 3.96Å; L286-F377 HydrophobicContact CD1-CB 3.58Å; L286-F377 HydrophobicContact CD1-CD1 4.15Å; L286-F377 HydrophobicContact CD1-CD2 4.32Å; L286-F377 HydrophobicContact CD1-CG 3.76Å; L373-F377 WeakPolarHBondContact O-CB 3.28Å; L373-F377 PolarHBondContact O-N 2.99Å; D374-F377 PolarHBondContact O-N 3.29Å; F377-T379 PolarHBondContact O-N 3.33Å; F377-I380 PolarHBondContact O-N 2.97Å; F377-K381 HydrophobicContact CE1-CD 4.36Å; F377-K381 VanDerWaalsContact O-CB 3.25Å; F377-K381 WeakPolarHBondContact O-CB 3.27Å; F377-K381 PolarHBondContact O-N 3.48Å
378A92.3Very high86.2Confident56 Ų5666 Ų6646%0.46338%0.378SS..Hα-helixtrans-61.6-42.9177.100000112.2D374 K381 S382D374-A378 VanDerWaalsContact O-CB 3.31Å; D374-A378 WeakPolarHBondContact O-CB 3.42Å; D374-A378 PolarHBondContact O-N 2.89Å; A378-K381 PolarHBondContact O-N 2.68Å; A378-S382 WeakPolarHBondContact O-CB 3.45Å; A378-S382 PolarHBondContact O-N 3.26Å
379T92.6Very high83.2Confident71 Ų7171.9 Ų71.944%0.43640%0.395SS..Hα-helixtrans-63.2-45.2176.8-560000112V265 A375 R376 F377 S382 A383V265-T379 HydrophobicContact CB-CG2 4.03Å; V265-T379 HydrophobicContact CG2-CG2 3.46Å; V265-T379 VanDerWaalsContact CG2-CG2 3.46Å; A375-T379 PolarHBondContact O-N 3.37Å; A375-T379 VanDerWaalsContact O-N 3.1Å; A375-T379 PolarHBondContact O-OG1 2.98Å; R376-T379 PolarHBondContact O-N 3.18Å; F377-T379 PolarHBondContact O-N 3.33Å; T379-S382 PolarHBondContact O-N 3.43Å; T379-A383 PolarHBondContact O-N 3.05Å
380I92.2Very high80.4Confident19 Ų1975 Ų7510%0.09742%0.417CS..Hα-helixtrans-67.1-42.1177.8-67.6171.7000111.1L275 R278 Y279 L282 R376 F377 S382 A383 L384L275-I380 HydrophobicContact CB-CG2 4.39Å; L275-I380 HydrophobicContact CD2-CG1 4.35Å; R278-I380 HydrophobicContact CB-CD1 4.18Å; Y279-I380 HydrophobicContact CD2-CG2 4.49Å; L282-I380 HydrophobicContact CD1-CD1 3.78Å; R376-I380 WeakPolarHBondContact O-CG1 3.35Å; R376-I380 PolarHBondContact O-N 3.38Å; F377-I380 PolarHBondContact O-N 2.97Å; I380-S382 VanDerWaalsContact C-N 3.26Å; I380-S382 PolarHBondContact O-N 2.95Å; I380-A383 PolarHBondContact O-N 2.83Å; I380-A383 VanDerWaalsContact O-N 3.1Å; I380-L384 HydrophobicContact CG2-CD1 3.73Å; I380-L384 HydrophobicContact CG2-CG 4.17Å; I380-L384 WeakPolarHBondContact O-CG 3.46Å; I380-L384 PolarHBondContact O-N 3.45Å
381K90.3Very high77.3Confident62 Ų6280 Ų8027%0.2744%0.443SS..Hα-helixtrans-56.4-43.5175.9-175.3178.6178.6178.80111.3Y279 F377 A378 V386Y279-K381 HydrophobicContact CD2-CB 4.32Å; Y279-K381 HydrophobicContact CE2-CB 3.9Å; Y279-K381 HydrophobicContact CE2-CD 4.41Å; Y279-K381 HydrophobicContact CE2-CG 3.96Å; F377-K381 HydrophobicContact CE1-CD 4.36Å; F377-K381 VanDerWaalsContact O-CB 3.25Å; F377-K381 WeakPolarHBondContact O-CB 3.27Å; F377-K381 PolarHBondContact O-N 3.48Å; A378-K381 PolarHBondContact O-N 2.68Å; K381-V386 WeakPolarHBondContact CE-O 3.37Å; K381-V386 HydrophobicContact CG-CB 4.21Å; K381-V386 PolarHBondContact O-N 3.1Å
382S88.6Confident74.4Confident101 Ų10181.9 Ų81.971%0.70646%0.456SS*.Hα-helixtrans-65.8-39.6176.1-167.90000112.3A378 T379 I380 G385A378-S382 WeakPolarHBondContact O-CB 3.45Å; A378-S382 PolarHBondContact O-N 3.26Å; T379-S382 PolarHBondContact O-N 3.43Å; I380-S382 VanDerWaalsContact C-N 3.26Å; I380-S382 PolarHBondContact O-N 2.95Å; S382-G385 PolarHBondContact O-N 3.24Å
383A88.6Confident71.5Confident24 Ų2481.1 Ų81.120%0.19847%0.468CS..Hα-helixtrans-69.7-37.6-179.900000113.3V265 A267 T379 I380 G385V265-A383 HydrophobicContact CB-CB 3.97Å; V265-A383 HydrophobicContact CG1-CB 3.7Å; V265-A383 WeakPolarHBondContact O-CB 3.43Å; A267-A383 HydrophobicContact CB-CB 4.44Å; A267-A383 WeakPolarHBondContact CB-O 3.42Å; T379-A383 PolarHBondContact O-N 3.05Å; I380-A383 PolarHBondContact O-N 2.83Å; I380-A383 VanDerWaalsContact O-N 3.1Å; A383-G385 PolarHBondContact O-N 2.91Å
384L87.2Confident68.5Low23 Ų2384.9 Ų84.912%0.1250%0.495CS..THydrogen-bonded Turntrans-73.6-5.3177.6-71.9172.1000113.3A267 Q272 L275 L276 Y279 I380 V386A267-L384 HydrophobicContact CB-CD2 4.07Å; Q272-L384 HydrophobicContact CG-CD2 4.1Å; L275-L384 HydrophobicContact CB-CD2 3.82Å; L275-L384 HydrophobicContact CB-CG 4.29Å; L276-L384 HydrophobicContact CD1-CD1 4.11Å; Y279-L384 HydrophobicContact CD2-CD1 4.25Å; Y279-L384 HydrophobicContact CG-CD1 4.14Å; I380-L384 HydrophobicContact CG2-CD1 3.73Å; I380-L384 HydrophobicContact CG2-CG 4.17Å; I380-L384 WeakPolarHBondContact O-CG 3.46Å; I380-L384 PolarHBondContact O-N 3.45Å; L384-V386 HydrophobicContact CB-CG2 3.85Å; L384-V386 PolarHBondContact O-N 3.24Å
385G75.1Confident65.5Low50 Ų5088.4 Ų88.452%0.51552%0.524SS..THydrogen-bonded Turntrans66.718.4-17700000113.7S382 A383 L387S382-G385 PolarHBondContact O-N 3.24Å; A383-G385 PolarHBondContact O-N 2.91Å; G385-L387 PolarHBondContact O-N 3.49Å
386V59.7Low62.9Low61 Ų6190.7 Ų90.737%0.3754%0.536SS..  trans-75.273.7174.5-172.40000107.9K381 L384K381-V386 WeakPolarHBondContact CE-O 3.37Å; K381-V386 HydrophobicContact CG-CB 4.21Å; K381-V386 PolarHBondContact O-N 3.1Å; L384-V386 HydrophobicContact CB-CG2 3.85Å; L384-V386 PolarHBondContact O-N 3.24Å
387L43.9Very low60.1Low148 Ų14894.7 Ų94.778%0.77555%0.551SS**  trans-62.7131.8175.5-72.2170.3000108.6G385 Y389G385-L387 PolarHBondContact O-N 3.49Å; L387-Y389 PolarHBondContact O-N 3.03Å
388P43.3Very low57Low78 Ų7897 Ų9751%0.50658%0.584SS.*  trans-61.2121.5157.77.94.8000106.5V390P388-V390 HydrophobicContact CB-CG2 4.32Å; P388-V390 WeakPolarHBondContact O-CG2 3.41Å; P388-V390 PolarHBondContact O-N 3.46Å
389Y33.3Very low54.1Low207 Ų207106.5 Ų106.581%0.81261%0.607SS**  trans-56.9107.7161.4-177-96.3000106.8L387 D391L387-Y389 PolarHBondContact O-N 3.03Å; Y389-D391 WeakPolarHBondContact CE1-OD1 3.46Å; Y389-D391 PolarHBondContact OH-OD1 3.41Å
390V38.5Very low51.2Low120 Ų120108.5 Ų108.573%0.72762%0.624SS**  trans-114.7113.5172.9-133.90000105.6P388 S392P388-V390 HydrophobicContact CB-CG2 4.32Å; P388-V390 WeakPolarHBondContact O-CG2 3.41Å; P388-V390 PolarHBondContact O-N 3.46Å; V390-S392 PolarHBondContact O-N 3.12Å; V390-S392 VanDerWaalsContact O-N 3.07Å
391D30.1Very low48.5Very low121 Ų121113.9 Ų113.965%0.64766%0.661SS**  trans-54.4111.8172.9-76.5-46.3000110Y389 V393Y389-D391 WeakPolarHBondContact CE1-OD1 3.46Å; Y389-D391 PolarHBondContact OH-OD1 3.41Å; D391-V393 PolarHBondContact O-N 3.04Å
392S34.1Very low45.7Very low118 Ų118115.8 Ų115.883%0.82568%0.682SS**  trans-85.690.2172.955.20000109.6V390V390-S392 PolarHBondContact O-N 3.12Å; V390-S392 VanDerWaalsContact O-N 3.07Å
393V36.4Very low43Very low129 Ų129118.2 Ų118.278%0.78269%0.687SS**  trans-105.995.8156-177.40000108D391D391-V393 PolarHBondContact O-N 3.04Å
394S34.9Very low40.3Very low99 Ų99125 Ų12569%0.69272%0.719SS**  trans40.2106.4145.326.10000119.8S396S394-S396 PolarHBondContact O-N 2.8Å
395S32Very low37.7Very low122 Ų122129 Ų12985%0.85375%0.749SS**  trans-45123.8148.8-179.80000113
396S39.2Very low35.7Very low104 Ų104131.5 Ų131.573%0.72776%0.758SS**  trans-165.4122.1133.651.80000113S394S394-S396 PolarHBondContact O-N 2.8Å
397R35.1Very low34.4Very low246 Ų246134.6 Ų134.693%0.92877%0.773SS**  trans55.6107.3142.7-66.1177.7172.8177.3-2.1119.5
398G28.7Very low33.8Very low78 Ų78136 Ų13680%0.80477%0.772SS**  89.4137.2118.200000118.2
399R33.2Very low33.2Very low255 Ų255137.4 Ų137.496%0.96278%0.784SS**  trans89.2136.7165-84.6178.8174.7-149.3-1.9119.1
400S30.7Very low33Very low113 Ų113131.7 Ų131.779%0.7978%0.775SS**  trans-52.4151.7-172.8-45.10000115.1
401P34.8Very low32.8Very low133 Ų133131 Ų13186%0.86478%0.776SS**  trans-106122.2169.225.7-9.3000112.1
402S31.8Very low32.7Very low101 Ų101131.8 Ų131.871%0.70678%0.784SS**  trans-105.4144.1151.451.60000109.1
403D33.1Very low32.4Very low152 Ų152130.7 Ų130.781%0.81378%0.775SS**  trans83.8124.7157.3-52.6-32.9000121.8
404L30.8Very low32.1Very low166 Ų166130.6 Ų130.687%0.86977%0.771SS**  trans-60.1148.2174.3-68.1125.7000113.4
405S32.8Very low31.8Very low109 Ų109132.8 Ų132.876%0.76277%0.773SS**  172.8143.4116.446.60000113.3
406S33.8Very low31.9Very low101 Ų101135 Ų13571%0.70677%0.774SS**  trans13.8152145.768.70000120.2
407D32.9Very low31.4Very low126 Ų126137.4 Ų137.467%0.67478%0.778SS**  cis-172.6153.29.3-122.8-34.8000107.5
408K30.6Very low31.5Very low177 Ų177130.2 Ų130.277%0.7777%0.765SS**  trans29.2154.6143.6-66.1167.1-173.5170.60124.8
409S31.1Very low31.8Very low108 Ų108134.9 Ų134.976%0.75577%0.767SS**  trans96.6103.9157.377.20000115.1
410S28.7Very low31.7Very low87 Ų87129.5 Ų129.561%0.60876%0.757SS**  79.7116.773.771.60000114.5
411S33.3Very low31.7Very low107 Ų107132.8 Ų132.875%0.74876%0.76SS**  trans154.5120.1144.7-66.90000108.5
412V29.5Very low31.5Very low136 Ų136130.4 Ų130.482%0.82476%0.759SS**  60.7120.273.6179.60000108.5
413C27.2Very low31.5Very low95 Ų95129.7 Ų129.764%0.64276%0.759SS**  cis-174.4170.922.7-114.50000111.5
414N29.5Very low31.3Very low128 Ų128130.7 Ų130.768%0.68476%0.764SS**  trans74111.7145-61.7-11.6000121.4
415I29.2Very low31.4Very low144 Ų144129.8 Ų129.874%0.73876%0.758SS**  79.5121.592-64.6161.4000112.5
416I34Very low31.4Very low169 Ų169129.6 Ų129.687%0.86775%0.752SS**  -171.3131.1125.5-85.4147.1000109.6
417D29.4Very low31.1Very low155 Ų155128.6 Ų128.683%0.82975%0.75SS**  trans-68.7154.7174.3-105.9-38.2000113.8
418S37.2Very low31.1Very low94 Ų94132.2 Ų132.266%0.65776%0.756SS**  171.6108.3129.2168.80000113
419Q34.6Very low31.1Very low177 Ų177131.2 Ų131.283%0.82776%0.759SS**  trans53.3112.6133.1-50.9-177.91.100119.2
420N31.7Very low31.2Very low142 Ų142131.2 Ų131.276%0.75975%0.75SS**  176.8130.589.7-147.220.3000112.5
421E30.7Very low31.3Very low182 Ų182135.9 Ų135.985%0.8576%0.762SS**  trans25.1130.6154.2-65.9-173.7171.900123.5
422G29.7Very low31.3Very low83 Ų83137.1 Ų137.186%0.85676%0.756SS**  trans138.133.2143.500000119.9
423A31.9Very low31.2Very low85 Ų85135.1 Ų135.170%0.70275%0.748SS**  trans-159.9133.5159.700000111.2I425A423-I425 VanDerWaalsContact C-N 3.34Å; A423-I425 PolarHBondContact O-N 2.94Å
424L28.8Very low31.5Very low173 Ų173138.8 Ų138.891%0.90676%0.76SS**  trans-60.487.5176.3-163.885.4000110.2
425I32Very low31.6Very low147 Ų147137.8 Ų137.875%0.75476%0.759SS**  trans-89.2103.6169-60.4174.7000106.5A423 A427A423-I425 VanDerWaalsContact C-N 3.34Å; A423-I425 PolarHBondContact O-N 2.94Å; I425-A427 VanDerWaalsContact C-N 3.25Å; I425-A427 PolarHBondContact O-N 3.08Å
426V33Very low31.5Very low106 Ų106138.2 Ų138.264%0.64276%0.762SS**  trans-6991.8163.7-178.70000106.8Y428V426-Y428 HydrophobicContact CG1-CD2 3.64Å; V426-Y428 HydrophobicContact CG1-CE2 3.88Å; V426-Y428 PolarHBondContact O-N 3.24Å
427A28.2Very low31.2Very low79 Ų79140.9 Ų140.965%0.65376%0.761SS**  trans-77.394.1169.600000108.5I425I425-A427 VanDerWaalsContact C-N 3.25Å; I425-A427 PolarHBondContact O-N 3.08Å
428Y33Very low31.3Very low202 Ų202140.6 Ų140.679%0.79276%0.759SS**  trans-84.7118.3154.2-92.1-84.7000107.6V426 D430V426-Y428 HydrophobicContact CG1-CD2 3.64Å; V426-Y428 HydrophobicContact CG1-CE2 3.88Å; V426-Y428 PolarHBondContact O-N 3.24Å; Y428-D430 PolarHBondContact O-N 2.95Å
429N29.6Very low30.9Very low157 Ų157142.1 Ų142.184%0.8477%0.77SS**  trans-62.593.1176.7-77.6-22.7000110.1
430D34.7Very low30.9Very low107 Ų107140.4 Ų140.457%0.57276%0.759SS**  trans-83.6125.9166.6-88.9-28.5000110.2Y428 H432Y428-D430 PolarHBondContact O-N 2.95Å; D430-H432 PolarHBondContact O-N 3.46Å
431H30.3Very low30.9Very low186 Ų186139 Ų13986%0.86176%0.759SS**  trans-54.382.8161.9-92.3-89.8000110.2
432H32.3Very low31.2Very low132 Ų132142 Ų14261%0.61176%0.762SS**  trans-110.550.3178.3-115.5-72.5000111.8D430D430-H432 PolarHBondContact O-N 3.46Å
433S29.2Very low31.8Very low95 Ų95143 Ų14366%0.66474%0.74SS**  trans-95.499157.159.50000108
434L32.2Very low32.5Very low172 Ų172147.1 Ų147.190%0.90174%0.737SS**SBendtrans162.49.2156.7-88.1159.9000114.8
435V31.9Very low33.7Very low107 Ų107148.6 Ų148.665%0.64873%0.731SS**  trans-11764.2179.4-162.80000110.9
436N26.7Very low34.5Very low153 Ų153144.3 Ų144.382%0.81871%0.709SS**SBendtrans-163.297158.4-101.2-17.4000109
437R27.6Very low35.3Very low224 Ų224140.9 Ų140.985%0.84569%0.694SS**  trans152.760.2155.5-85.6-179.6-131.5-140.24.4112.1
438L30.9Very low36.4Very low150 Ų150138.2 Ų138.279%0.78567%0.673SS**  trans-144.888.4155.3-78.7174.3000107.7K440L438-K440 HydrophobicContact CB-CG 4.47Å; L438-K440 PolarHBondContact O-N 2.86Å
439S29.5Very low37Very low125 Ų125131.2 Ų131.287%0.87466%0.656SS**  trans-56.594.4151.1173.50000105.9
440K35.3Very low37.8Very low141 Ų141128.4 Ų128.461%0.61365%0.645SS**  trans-66.5124.9-179.7-78.4-174.9177.2-175.50107.2L438 R442L438-K440 HydrophobicContact CB-CG 4.47Å; L438-K440 PolarHBondContact O-N 2.86Å; K440-R442 PolarHBondContact O-N 2.72Å
441P32.1Very low38Very low114 Ų114126 Ų12674%0.7464%0.637SS**  trans-57.4131173.324.1-31.1000108.1R443P441-R443 PolarHBondContact O-N 3.29Å
442R35.2Very low38.5Very low245 Ų245122.1 Ų122.193%0.92562%0.622SS**  trans-47.3114.9176.1-158.3177173.5-165.5-1.7108.2K440 R444K440-R442 PolarHBondContact O-N 2.72Å; R442-R444 PolarHBondContact O-N 3.05Å
443R43.7Very low38.7Very low103 Ų103119.6 Ų119.639%0.38962%0.618SS.*PPolyproline II helixtrans-49.5125.1-176.1-74.6-170.9-172.71757.8109.4E294 P441E294-R443 VanDerWaalsContact CD-CZ 3.48Å; E294-R443 VanDerWaalsContact CG-NH2 3.27Å; E294-R443 IonicContact OE1-CZ 3.2Å; E294-R443 IonicContact OE1-NE 2.82Å; E294-R443 PolarHBondContact OE1-NE 3.47Å; E294-R443 IonicContact OE1-NH2 3.77Å; E294-R443 PolarHBondContact OE1-NH2 3.01Å; E294-R443 IonicContact OE2-CZ 3.85Å; E294-R443 IonicContact OE2-NE 3.53Å; E294-R443 IonicContact OE2-NH2 3.96Å; P441-R443 PolarHBondContact O-N 3.29Å
444R47.2Very low39.3Very low171 Ų171123.6 Ų123.665%0.64563%0.626SS**PPolyproline II helixtrans-61.9141.7173.3-68.5-176.6176.8-172.9-0.6108.2W297 R442 A448W297-R444 WeakPolarHBondContact CH2-O 3.4Å; W297-R444 WeakPolarHBondContact CZ2-O 3.34Å; R442-R444 PolarHBondContact O-N 3.05Å; R444-A448 HydrophobicContact CB-CB 4.44Å
445R52.1Low40.1Very low205 Ų205122.8 Ų122.877%0.77462%0.615SS**PPolyproline II helixtrans-66.9143.3-177.8-163.7179.9-112.3178.4-4.2109.8G447 A448R445-G447 PolarHBondContact O-N 3.36Å; R445-A448 WeakPolarHBondContact O-CB 3.31Å; R445-A448 PolarHBondContact O-N 3.36Å; R445-A448 VanDerWaalsContact O-N 3.12Å
446I49Very low41.2Very low57 Ų57128.1 Ų128.129%0.29262%0.624SS.*THydrogen-bonded Turntrans-55.2137.5176.6-55.7171.7000109.3W297 Y356 F360 F363W297-I446 HydrophobicContact CE3-CD1 4.3Å; W297-I446 HydrophobicContact CE3-CG1 4.08Å; W297-I446 HydrophobicContact CH2-CB 4.15Å; W297-I446 HydrophobicContact CH2-CD1 4.14Å; W297-I446 HydrophobicContact CH2-CG1 3.14Å; W297-I446 HydrophobicContact CZ2-CG1 4.3Å; W297-I446 HydrophobicContact CZ3-CB 4.37Å; W297-I446 HydrophobicContact CZ3-CD1 3.49Å; W297-I446 VanDerWaalsContact CZ3-CD1 3.49Å; W297-I446 HydrophobicContact CZ3-CG1 3.01Å; Y356-I446 WeakPolarHBondContact OH-CG2 3.5Å; F360-I446 HydrophobicContact CD2-CD1 4.06Å; F360-I446 HydrophobicContact CE2-CD1 3.43Å; F360-I446 VanDerWaalsContact CE2-CD1 3.43Å; F360-I446 HydrophobicContact CE2-CG1 4.49Å; F360-I446 HydrophobicContact CE2-CG2 4Å; F360-I446 HydrophobicContact CZ-CD1 4.44Å; F363-I446 HydrophobicContact CD1-CD1 3.96Å; F363-I446 HydrophobicContact CE1-CD1 3.75Å
447G50.9Low42.9Very low33 Ų33123.4 Ų123.434%0.3460%0.598SS.*THydrogen-bonded Turntrans82.212.6-174.300000114.2E304 R445 A449E304-G447 WeakPolarHBondContact OE1-CA 3.31Å; R445-G447 PolarHBondContact O-N 3.36Å; G447-A449 VanDerWaalsContact C-N 3.35Å
448A50.7Low45.1Very low24 Ų24120.1 Ų120.120%0.19859%0.59CS.*  trans-83.1-8.6177.400000114.4R232 R444 R445 T450 S451R232-A448 VanDerWaalsContact NH2-C 3.33Å; R232-A448 PolarHBondContact NH2-O 2.82Å; R444-A448 HydrophobicContact CB-CB 4.44Å; R445-A448 WeakPolarHBondContact O-CB 3.31Å; R445-A448 PolarHBondContact O-N 3.36Å; R445-A448 VanDerWaalsContact O-N 3.12Å; A448-T450 PolarHBondContact O-N 3.19Å; A448-T450 VanDerWaalsContact O-N 3.12Å; A448-S451 PolarHBondContact O-N 3.04Å; A448-S451 PolarHBondContact O-OG 3.2Å
449A46.1Very low47.7Very low54 Ų54113.5 Ų113.545%0.44656%0.555SS.*THydrogen-bonded Turntrans-65.8-15.2-174.400000114.1G447G447-A449 VanDerWaalsContact C-N 3.35Å
450T47.1Very low50.6Low99 Ų99107.8 Ų107.861%0.60751%0.514SS*.THydrogen-bonded Turntrans-84.7-9-176.853.50000114.9I308 A448I308-T450 HydrophobicContact CD1-CG2 4.3Å; A448-T450 PolarHBondContact O-N 3.19Å; A448-T450 VanDerWaalsContact O-N 3.12Å
451S38.6Very low52.9Low56 Ų56102.9 Ų102.939%0.39250%0.504SS..SBendtrans-96.195.7170.765.40000109.4R232 A448 P453R232-S451 PolarHBondContact NH1-OG 3.22Å; R232-S451 VanDerWaalsContact NH1-OG 3.1Å; R232-S451 PolarHBondContact NH2-OG 2.91Å; A448-S451 PolarHBondContact O-N 3.04Å; A448-S451 PolarHBondContact O-OG 3.2Å; S451-P453 WeakPolarHBondContact O-CD 3.41Å
452N39.9Very low55.3Low105 Ų10597.7 Ų97.756%0.56147%0.471SS*.  trans-45.6102.2176.5-172.523000111.6E454N452-E454 PolarHBondContact O-N 3.16Å
453P38Very low57.5Low79 Ų7986.5 Ų86.551%0.51343%0.43SS..  trans-89.6100.6170.125.1-7.7000106.5S451 K455S451-P453 WeakPolarHBondContact O-CD 3.41Å; P453-K455 PolarHBondContact O-N 2.78Å
454E39.9Very low59.2Low179 Ų17981.7 Ų81.784%0.83641%0.412SS*.  trans44.162163.6-62.3176.6173.400115.1N452 R456N452-E454 PolarHBondContact O-N 3.16Å; E454-R456 PolarHBondContact O-N 2.94Å
455K50.5Low60.5Low154 Ų15476 Ų7667%0.6739%0.393SS*.  trans-64.288.1150.9-86.2-174.1178.8-177.50106.8P453 I457 M470P453-K455 PolarHBondContact O-N 2.78Å; K455-I457 PolarHBondContact O-N 3.29Å; K455-M470 HydrophobicContact CB-CE 3.83Å; K455-M470 VanDerWaalsContact O-CE 3.29Å; K455-M470 WeakPolarHBondContact O-CE 3.29Å
456R53.7Low61.7Low220 Ų22070.1 Ų70.183%0.8337%0.374SS*.  trans-53111.8164.2-94.9-174.5176.9-177.2-1.4106.7E454 K458E454-R456 PolarHBondContact O-N 2.94Å; R456-K458 PolarHBondContact O-N 3.37Å; R456-K458 VanDerWaalsContact O-N 3.16Å
457I64.2Low63.2Low54 Ų5469 Ų6928%0.27737%0.366SS..  trans-65116.8177.9-53163.4000105.7K455 L459 Y467 M470K455-I457 PolarHBondContact O-N 3.29Å; I457-L459 PolarHBondContact O-N 2.98Å; I457-L459 VanDerWaalsContact O-N 3.08Å; I457-Y467 HydrophobicContact CB-CD2 4.41Å; I457-Y467 HydrophobicContact CG2-CD2 3.58Å; I457-Y467 HydrophobicContact CG2-CE2 4.48Å; I457-Y467 HydrophobicContact CG2-CG 4.22Å; I457-M470 HydrophobicContact CD1-CB 3.44Å; I457-M470 VanDerWaalsContact CD1-CB 3.44Å; I457-M470 HydrophobicContact CD1-CE 4.1Å; I457-M470 HydrophobicContact CD1-CG 4.47Å; I457-M470 HydrophobicContact CD1-SD 4.41Å; I457-M470 HydrophobicContact CG1-CB 3.94Å; I457-M470 HydrophobicContact CG1-CE 3.53Å; I457-M470 HydrophobicContact CG1-CG 4.49Å; I457-M470 HydrophobicContact CG1-SD 3.81Å
458K73.3Confident64.4Low155 Ų15568.3 Ų68.367%0.67436%0.356SS*.  trans-67.8109.5169.9-77.8-170.1175.5-174.30107.4R456 G462R456-K458 PolarHBondContact O-N 3.37Å; R456-K458 VanDerWaalsContact O-N 3.16Å; K458-G462 WeakPolarHBondContact O-CA 3.48Å
459L85.7Confident65.5Low10 Ų1072 Ų725%0.05237%0.369CS..SBendtrans-68.4-52.3178.2-179.368.3000109.6I457 Y467 P476 I478 F513 E514 Y539I457-L459 PolarHBondContact O-N 2.98Å; I457-L459 VanDerWaalsContact O-N 3.08Å; L459-Y467 HydrophobicContact CD1-CD2 3.72Å; L459-Y467 HydrophobicContact CD1-CE2 3.42Å; L459-Y467 VanDerWaalsContact CD1-CE2 3.42Å; L459-P476 HydrophobicContact CD1-CB 4.36Å; L459-I478 HydrophobicContact CD1-CG2 3.94Å; L459-I478 HydrophobicContact CD2-CB 4.16Å; L459-I478 HydrophobicContact CD2-CD1 4.35Å; L459-I478 HydrophobicContact CD2-CG2 4Å; L459-I478 HydrophobicContact CG-CG2 4.28Å; L459-F513 HydrophobicContact CD2-CB 3.59Å; L459-E514 HydrophobicContact CB-CG 4.45Å; L459-Y539 HydrophobicContact CD1-CE2 3.69Å; L459-Y539 HydrophobicContact CG-CD2 4.24Å; L459-Y539 HydrophobicContact CG-CE2 3.77Å; L459-Y539 VanDerWaalsContact O-CE2 3.27Å; L459-Y539 WeakPolarHBondContact O-CE2 3.43Å
460F88.9Confident66.7Low6 Ų673.4 Ų73.43%0.02637%0.367CS..THydrogen-bonded Turntrans-87.5137.6172.3-68.8-102.6000109.9G462 I478 K510 F513 E514 V535 L538 Y539 E542F460-G462 PolarHBondContact O-N 3.48Å; F460-I478 HydrophobicContact CE1-CD1 4.21Å; F460-I478 HydrophobicContact CE2-CD1 3.69Å; F460-I478 HydrophobicContact CZ-CD1 3.31Å; F460-K510 HydrophobicContact CD1-CD 3.93Å; F460-K510 HydrophobicContact CD1-CG 4.17Å; F460-K510 HydrophobicContact CD2-CD 4.32Å; F460-K510 HydrophobicContact CD2-CG 3.78Å; F460-K510 HydrophobicContact CE1-CB 4.29Å; F460-K510 HydrophobicContact CE1-CD 4.04Å; F460-K510 HydrophobicContact CE1-CG 4.02Å; F460-K510 HydrophobicContact CE2-CB 4.01Å; F460-K510 HydrophobicContact CE2-CD 4.43Å; F460-K510 HydrophobicContact CE2-CG 3.63Å; F460-K510 HydrophobicContact CG-CD 4.07Å; F460-K510 HydrophobicContact CG-CG 4.06Å; F460-K510 HydrophobicContact CZ-CB 3.8Å; F460-K510 HydrophobicContact CZ-CD 4.28Å; F460-K510 HydrophobicContact CZ-CG 3.74Å; F460-F513 HydrophobicContact CE2-CB 4.41Å; F460-E514 HydrophobicContact CD2-CG 3.72Å; F460-E514 HydrophobicContact CE2-CG 4.34Å; F460-V535 HydrophobicContact CE1-CG2 4.35Å; F460-V535 HydrophobicContact CZ-CG2 3.8Å; F460-L538 HydrophobicContact CD1-CG 4.32Å; F460-L538 HydrophobicContact CE1-CB 4.31Å; F460-L538 HydrophobicContact CE1-CD2 4.24Å; F460-L538 HydrophobicContact CE1-CG 4.02Å; F460-Y539 HydrophobicContact CD1-CD2 4.28Å; F460-Y539 HydrophobicContact CE1-CD2 4.26Å; F460-Y539 HydrophobicContact CG-CD2 4.44Å; F460-Y539 HydrophobicContact CZ-CD2 4.39Å; F460-E542 WeakPolarHBondContact CB-OE2 3.49Å; F460-E542 HydrophobicContact CD1-CB 4.44Å; F460-E542 WeakPolarHBondContact CD1-OE2 3.42Å
461G84.1Confident68Low38 Ų3870.4 Ų70.439%0.39235%0.35SS..THydrogen-bonded Turntrans80.1-7.6-174.100000115.1E542G461-E542 WeakPolarHBondContact CA-O 3.46Å; G461-E542 PolarHBondContact N-O 3.35Å
462G82.3Confident69.5Low5 Ų573.8 Ų73.85%0.05236%0.364CS..SBendtrans-84.5170-179.600000113.8K458 F460 R544K458-G462 WeakPolarHBondContact O-CA 3.48Å; F460-G462 PolarHBondContact O-N 3.48Å; G462-R544 WeakPolarHBondContact O-CB 3.43Å; G462-R544 PolarHBondContact O-N 3.46Å
463S82Confident71Confident9 Ų972 Ų726%0.06335%0.352CS..  trans-84.7135.1165173.70000109.8E465 E466 Y467S463-E465 PolarHBondContact O-N 3.5Å; S463-E465 PolarHBondContact OG-N 3.15Å; S463-E466 PolarHBondContact O-N 2.98Å; S463-Y467 PolarHBondContact O-N 3.04Å; S463-Y467 VanDerWaalsContact O-N 3.08Å
464L79.7Confident72.7Confident3 Ų374.1 Ų74.12%0.01636%0.355CS..Hα-helixtrans-62.1-32.9175.3-170.561.4000111.3Y467 V468 P476 I479 Y539 L543 L547 I593L464-Y467 PolarHBondContact O-N 3.07Å; L464-V468 WeakPolarHBondContact O-CG2 3.39Å; L464-V468 PolarHBondContact O-N 3.4Å; L464-P476 HydrophobicContact CD1-CG 3.24Å; L464-I479 HydrophobicContact CD1-CD1 4.47Å; L464-Y539 WeakPolarHBondContact CD1-OH 3.31Å; L464-L543 HydrophobicContact CB-CD2 4.41Å; L464-L547 HydrophobicContact CD2-CD1 3.84Å; L464-I593 HydrophobicContact CD1-CD1 4.47Å; L464-I593 HydrophobicContact CD2-CB 3.79Å; L464-I593 HydrophobicContact CD2-CD1 3.72Å; L464-I593 HydrophobicContact CD2-CG1 4.37Å; L464-I593 HydrophobicContact CD2-CG2 3.75Å; L464-I593 HydrophobicContact CG-CD1 3.8Å
465E74.3Confident74.7Confident50 Ų5067 Ų6723%0.23432%0.323CS..Hα-helixtrans-62.9-50.4174.2-75.5156.2-166.600111.3S463 Y467 V468 E469 Q589 S590S463-E465 PolarHBondContact O-N 3.5Å; S463-E465 PolarHBondContact OG-N 3.15Å; E465-Y467 PolarHBondContact O-N 2.96Å; E465-V468 PolarHBondContact O-N 3.16Å; E465-E469 WeakPolarHBondContact O-CB 3.46Å; E465-E469 WeakPolarHBondContact O-CG 3.4Å; E465-E469 PolarHBondContact O-N 3.02Å; E465-Q589 HydrophobicContact CG-CB 3.71Å; E465-S590 PolarHBondContact OE1-OG 3.43Å
466E77.9Confident76.3Confident83 Ų8359.7 Ų59.739%0.38829%0.291SS..Hα-helixtrans-58.4-38.8176.5-70.5173.1176.400111.5S463 M470 R544S463-E466 PolarHBondContact O-N 2.98Å; E466-M470 WeakPolarHBondContact O-CB 3.48Å; E466-M470 WeakPolarHBondContact O-CG 3.41Å; E466-M470 PolarHBondContact O-N 3.43Å; E466-R544 IonicContact OE1-CZ 3.62Å; E466-R544 IonicContact OE1-NH1 2.84Å; E466-R544 PolarHBondContact OE1-NH1 3.1Å; E466-R544 IonicContact OE2-CZ 3.11Å; E466-R544 IonicContact OE2-NH1 3.66Å; E466-R544 PolarHBondContact OE2-NH1 3.03Å; E466-R544 IonicContact OE2-NH2 2.66Å
467Y79Confident78Confident32 Ų3251.7 Ų51.713%0.12527%0.265CS..Hα-helixtrans-65.2-49.7177.8-177-80.9000112.5I457 L459 S463 L464 E465 E469 M470 S471 P476I457-Y467 HydrophobicContact CB-CD2 4.41Å; I457-Y467 HydrophobicContact CG2-CD2 3.58Å; I457-Y467 HydrophobicContact CG2-CE2 4.48Å; I457-Y467 HydrophobicContact CG2-CG 4.22Å; L459-Y467 HydrophobicContact CD1-CD2 3.72Å; L459-Y467 HydrophobicContact CD1-CE2 3.42Å; L459-Y467 VanDerWaalsContact CD1-CE2 3.42Å; S463-Y467 PolarHBondContact O-N 3.04Å; S463-Y467 VanDerWaalsContact O-N 3.08Å; L464-Y467 PolarHBondContact O-N 3.07Å; E465-Y467 PolarHBondContact O-N 2.96Å; Y467-E469 VanDerWaalsContact C-N 3.3Å; Y467-E469 PolarHBondContact O-N 3.34Å; Y467-M470 PolarHBondContact O-N 2.88Å; Y467-S471 WeakPolarHBondContact CD1-OG 3.35Å; Y467-S471 WeakPolarHBondContact CE1-OG 3.1Å; Y467-S471 VanDerWaalsContact O-CB 3.27Å; Y467-S471 WeakPolarHBondContact O-CB 3.34Å; Y467-S471 PolarHBondContact O-N 3.04Å; Y467-S471 PolarHBondContact O-OG 2.87Å; Y467-P476 HydrophobicContact CD1-CB 4.03Å; Y467-P476 HydrophobicContact CD1-CG 3.65Å; Y467-P476 HydrophobicContact CE1-CB 3.61Å; Y467-P476 HydrophobicContact CE1-CG 3.74Å; Y467-P476 HydrophobicContact CG-CG 4.35Å
468V76.9Confident79.2Confident19 Ų1949.1 Ų49.112%0.11525%0.251CS..Hα-helixtrans-63.1-40.5-178.4172.80000110.8L464 E465 M470 D472 I593L464-V468 WeakPolarHBondContact O-CG2 3.39Å; L464-V468 PolarHBondContact O-N 3.4Å; E465-V468 PolarHBondContact O-N 3.16Å; V468-M470 VanDerWaalsContact C-N 3.31Å; V468-M470 PolarHBondContact O-N 3.06Å; V468-D472 WeakPolarHBondContact O-CA 3.48Å; V468-D472 PolarHBondContact O-N 3.23Å; V468-D472 VanDerWaalsContact O-N 3.09Å; V468-I593 HydrophobicContact CG2-CD1 3.42Å; V468-I593 VanDerWaalsContact CG2-CD1 3.42Å
469E72.9Confident80Confident101 Ų10141.8 Ų41.847%0.47222%0.219SC..Hα-helixtrans-65.1-33.9179.8-69.7173.2168.300113.7K315 E465 Y467K315-E469 VanDerWaalsContact CD-OE1 3.3Å; K315-E469 WeakPolarHBondContact CD-OE1 3.37Å; K315-E469 VanDerWaalsContact CE-OE1 3.23Å; K315-E469 WeakPolarHBondContact CE-OE1 3.4Å; K315-E469 WeakPolarHBondContact CE-OE2 3.46Å; K315-E469 IonicContact NZ-OE1 3.98Å; K315-E469 PolarHBondContact NZ-OE1 3.35Å; K315-E469 IonicContact NZ-OE2 2.69Å; K315-E469 PolarHBondContact NZ-OE2 3.12Å; E465-E469 WeakPolarHBondContact O-CB 3.46Å; E465-E469 WeakPolarHBondContact O-CG 3.4Å; E465-E469 PolarHBondContact O-N 3.02Å; Y467-E469 VanDerWaalsContact C-N 3.3Å; Y467-E469 PolarHBondContact O-N 3.34Å
470M72.7Confident80Confident84 Ų8446.1 Ų46.141%0.41424%0.235SC..Hα-helixtrans-93.5-30.3-177.4-70.7-17356.200113.5K455 I457 E466 Y467 V468K455-M470 HydrophobicContact CB-CE 3.83Å; K455-M470 VanDerWaalsContact O-CE 3.29Å; K455-M470 WeakPolarHBondContact O-CE 3.29Å; I457-M470 HydrophobicContact CD1-CB 3.44Å; I457-M470 VanDerWaalsContact CD1-CB 3.44Å; I457-M470 HydrophobicContact CD1-CE 4.1Å; I457-M470 HydrophobicContact CD1-CG 4.47Å; I457-M470 HydrophobicContact CD1-SD 4.41Å; I457-M470 HydrophobicContact CG1-CB 3.94Å; I457-M470 HydrophobicContact CG1-CE 3.53Å; I457-M470 HydrophobicContact CG1-CG 4.49Å; I457-M470 HydrophobicContact CG1-SD 3.81Å; E466-M470 WeakPolarHBondContact O-CB 3.48Å; E466-M470 WeakPolarHBondContact O-CG 3.41Å; E466-M470 PolarHBondContact O-N 3.43Å; Y467-M470 PolarHBondContact O-N 2.88Å; V468-M470 VanDerWaalsContact C-N 3.31Å; V468-M470 PolarHBondContact O-N 3.06Å
471S73.5Confident80.1Confident37 Ų3746 Ų4626%0.25924%0.235SC..Hα-helixtrans-90.6-15.1-178.364.30000114Y467 Q473Y467-S471 WeakPolarHBondContact CD1-OG 3.35Å; Y467-S471 WeakPolarHBondContact CE1-OG 3.1Å; Y467-S471 VanDerWaalsContact O-CB 3.27Å; Y467-S471 WeakPolarHBondContact O-CB 3.34Å; Y467-S471 PolarHBondContact O-N 3.04Å; Y467-S471 PolarHBondContact O-OG 2.87Å; S471-Q473 PolarHBondContact O-N 2.83Å; S471-Q473 VanDerWaalsContact O-N 3.08Å; S471-Q473 PolarHBondContact OG-N 3.32Å
472D70.3Confident80.4Confident126 Ų12644.2 Ų44.267%0.67422%0.216SC*.  trans54.219.9-169.5-152.832.4000113.3R223 V468R223-D472 IonicContact NH1-OD1 3.06Å; V468-D472 WeakPolarHBondContact O-CA 3.48Å; V468-D472 PolarHBondContact O-N 3.23Å; V468-D472 VanDerWaalsContact O-N 3.09Å
473Q72.1Confident80.7Confident67 Ų6745.1 Ų45.131%0.31322%0.22SC..  trans-101.1116.4174.9-70.4-164.14.600109.6S471 I475 R480S471-Q473 PolarHBondContact O-N 2.83Å; S471-Q473 VanDerWaalsContact O-N 3.08Å; S471-Q473 PolarHBondContact OG-N 3.32Å; Q473-I475 PolarHBondContact O-N 2.7Å; Q473-R480 VanDerWaalsContact CB-NH2 3.3Å
474E72.8Confident80.9Confident124 Ų12448.8 Ų48.858%0.57923%0.232SC*.SBendtrans-57.6-33.1177.9-67.4-170.5161.100113.1I593E474-I593 WeakPolarHBondContact O-CD1 3.21Å; E474-I593 VanDerWaalsContact O-CG1 3.28Å; E474-I593 WeakPolarHBondContact O-CG1 3.33Å
475I81.1Confident81.3Confident30 Ų3048.9 Ų48.915%0.15423%0.232CC..SBendtrans-129.3123.5179.8-54.2178.3000108Q473 I479 R480 I593Q473-I475 PolarHBondContact O-N 2.7Å; I475-I479 HydrophobicContact CG2-CB 3.76Å; I475-I479 HydrophobicContact CG2-CD1 4.45Å; I475-I479 HydrophobicContact CG2-CG2 3.43Å; I475-I479 VanDerWaalsContact CG2-CG2 3.43Å; I475-R480 HydrophobicContact CB-CG 3.98Å; I475-R480 HydrophobicContact CG2-CG 3.73Å; I475-R480 PolarHBondContact O-NE 3.46Å; I475-R480 PolarHBondContact O-NH2 3.14Å; I475-I593 HydrophobicContact CG1-CG2 4.42Å
476P85.7Confident81.9Confident0 Ų046.5 Ų46.50%022%0.221CC..  trans-52.8145.1177.2-27.531.8000114.1L459 L464 Y467 I478 I479 R480 Y539L459-P476 HydrophobicContact CD1-CB 4.36Å; L464-P476 HydrophobicContact CD1-CG 3.24Å; Y467-P476 HydrophobicContact CD1-CB 4.03Å; Y467-P476 HydrophobicContact CD1-CG 3.65Å; Y467-P476 HydrophobicContact CE1-CB 3.61Å; Y467-P476 HydrophobicContact CE1-CG 3.74Å; Y467-P476 HydrophobicContact CG-CG 4.35Å; P476-I478 VanDerWaalsContact C-N 3.27Å; P476-I478 HydrophobicContact CB-CG2 3.93Å; P476-I478 PolarHBondContact O-N 3.17Å; P476-I479 HydrophobicContact CB-CD1 4.25Å; P476-I479 HydrophobicContact CG-CD1 3.9Å; P476-I479 WeakPolarHBondContact O-CB 3.43Å; P476-I479 PolarHBondContact O-N 2.94Å; P476-R480 PolarHBondContact O-N 3.33Å; P476-Y539 WeakPolarHBondContact CG-OH 3.31Å
477L87.8Confident82.1Confident53 Ų5343.8 Ų43.828%0.27721%0.212SC..Hα-helixtrans-54.7-41.5179.7-176.861.1000112.6I479 R480 S481 D518L477-I479 VanDerWaalsContact C-N 3.31Å; L477-I479 PolarHBondContact O-N 2.92Å; L477-R480 PolarHBondContact O-N 3.28Å; L477-S481 WeakPolarHBondContact O-CB 3.46Å; L477-S481 PolarHBondContact O-N 3.05Å; L477-D518 HydrophobicContact CD2-CB 4.06Å; L477-D518 HydrophobicContact CG-CB 4.45Å
478I90.7Very high82.4Confident0 Ų047.5 Ų47.50%023%0.233CC..Hα-helixtrans-55.6-45.3175.5-177165.8000112.2L459 F460 P476 C482 F513 V535 Y539L459-I478 HydrophobicContact CD1-CG2 3.94Å; L459-I478 HydrophobicContact CD2-CB 4.16Å; L459-I478 HydrophobicContact CD2-CD1 4.35Å; L459-I478 HydrophobicContact CD2-CG2 4Å; L459-I478 HydrophobicContact CG-CG2 4.28Å; F460-I478 HydrophobicContact CE1-CD1 4.21Å; F460-I478 HydrophobicContact CE2-CD1 3.69Å; F460-I478 HydrophobicContact CZ-CD1 3.31Å; P476-I478 VanDerWaalsContact C-N 3.27Å; P476-I478 HydrophobicContact CB-CG2 3.93Å; P476-I478 PolarHBondContact O-N 3.17Å; I478-C482 WeakPolarHBondContact O-CB 3.33Å; I478-C482 PolarHBondContact O-N 3.35Å; I478-C482 PolarHBondContact O-SG 3.17Å; I478-F513 HydrophobicContact CB-CB 4.47Å; I478-F513 HydrophobicContact CB-CD1 3.97Å; I478-F513 HydrophobicContact CB-CD2 4.19Å; I478-F513 HydrophobicContact CB-CE1 4.2Å; I478-F513 HydrophobicContact CB-CE2 4.42Å; I478-F513 HydrophobicContact CB-CG 3.97Å; I478-F513 HydrophobicContact CB-CZ 4.43Å; I478-F513 HydrophobicContact CD1-CB 4.29Å; I478-F513 HydrophobicContact CD1-CD2 3.78Å; I478-F513 HydrophobicContact CD1-CE2 4.35Å; I478-F513 HydrophobicContact CD1-CG 4.12Å; I478-F513 HydrophobicContact CG1-CD1 4.43Å; I478-F513 HydrophobicContact CG1-CD2 3.75Å; I478-F513 HydrophobicContact CG1-CE2 3.9Å; I478-F513 HydrophobicContact CG1-CG 4.05Å; I478-F513 HydrophobicContact CG1-CZ 4.31Å; I478-V535 HydrophobicContact CD1-CG2 4.25Å; I478-Y539 HydrophobicContact CD1-CD2 3.95Å; I478-Y539 HydrophobicContact CD1-CG 3.92Å; I478-Y539 HydrophobicContact CG2-CD1 4.13Å; I478-Y539 HydrophobicContact CG2-CD2 3.9Å; I478-Y539 HydrophobicContact CG2-CE1 4.06Å; I478-Y539 HydrophobicContact CG2-CE2 3.81Å; I478-Y539 HydrophobicContact CG2-CG 4.05Å
479I89.4Confident82.8Confident0 Ų049.3 Ų49.30%024%0.24CC..Hα-helixtrans-63.6-54.7176.9-70.6166.1000108.2L464 I475 P476 L477 S481 I483 L536 Y539 F540 T597L464-I479 HydrophobicContact CD1-CD1 4.47Å; I475-I479 HydrophobicContact CG2-CB 3.76Å; I475-I479 HydrophobicContact CG2-CD1 4.45Å; I475-I479 HydrophobicContact CG2-CG2 3.43Å; I475-I479 VanDerWaalsContact CG2-CG2 3.43Å; P476-I479 HydrophobicContact CB-CD1 4.25Å; P476-I479 HydrophobicContact CG-CD1 3.9Å; P476-I479 WeakPolarHBondContact O-CB 3.43Å; P476-I479 PolarHBondContact O-N 2.94Å; L477-I479 VanDerWaalsContact C-N 3.31Å; L477-I479 PolarHBondContact O-N 2.92Å; I479-S481 PolarHBondContact O-N 2.85Å; I479-I483 HydrophobicContact CG2-CD1 3.34Å; I479-I483 HydrophobicContact CG2-CG1 4.3Å; I479-I483 WeakPolarHBondContact O-CB 3.3Å; I479-I483 WeakPolarHBondContact O-CD1 3.42Å; I479-I483 WeakPolarHBondContact O-CG1 3.38Å; I479-I483 PolarHBondContact O-N 3.44Å; I479-L536 HydrophobicContact CG1-CD1 4.42Å; I479-Y539 HydrophobicContact CD1-CD1 4.32Å; I479-Y539 HydrophobicContact CD1-CE1 3.54Å; I479-Y539 HydrophobicContact CG1-CD1 4.01Å; I479-Y539 HydrophobicContact CG1-CE1 3.66Å; I479-F540 HydrophobicContact CD1-CE1 3.87Å; I479-F540 HydrophobicContact CD1-CZ 4.3Å; I479-F540 HydrophobicContact CG1-CE1 4Å; I479-F540 HydrophobicContact CG1-CZ 4.03Å; I479-T597 HydrophobicContact CG2-CG2 3.65Å
480R86.4Confident83.1Confident102 Ų10244.6 Ų44.639%0.38522%0.219SC..Hα-helixtrans-57.4-45.8-177.4-74.7-168.2-87.1-138.44.8113.6Q473 I475 P476 L477 R484Q473-R480 VanDerWaalsContact CB-NH2 3.3Å; I475-R480 HydrophobicContact CB-CG 3.98Å; I475-R480 HydrophobicContact CG2-CG 3.73Å; I475-R480 PolarHBondContact O-NE 3.46Å; I475-R480 PolarHBondContact O-NH2 3.14Å; P476-R480 PolarHBondContact O-N 3.33Å; L477-R480 PolarHBondContact O-N 3.28Å; R480-R484 WeakPolarHBondContact O-CB 3.35Å; R480-R484 PolarHBondContact O-N 3.38Å
481S90Very high83.2Confident3 Ų343.5 Ų43.52%0.02121%0.214CC..Hα-helixtrans-75.3-43.8-174.4-155.50000112.3L477 I479 I483 R484 M485 D518 L520L477-S481 WeakPolarHBondContact O-CB 3.46Å; L477-S481 PolarHBondContact O-N 3.05Å; I479-S481 PolarHBondContact O-N 2.85Å; S481-I483 VanDerWaalsContact C-N 3.28Å; S481-I483 PolarHBondContact O-N 3.47Å; S481-R484 PolarHBondContact O-N 3.37Å; S481-R484 PolarHBondContact OG-NH2 3.48Å; S481-M485 PolarHBondContact O-N 2.95Å; S481-D518 WeakPolarHBondContact CB-OD1 3.49Å; S481-D518 WeakPolarHBondContact CB-OD2 3.35Å; S481-D518 PolarHBondContact OG-OD1 3.28Å; S481-D518 PolarHBondContact OG-OD2 2.98Å; S481-L520 WeakPolarHBondContact OG-CB 3.36Å
482C90.8Very high83.4Confident0 Ų050.8 Ų50.80%024%0.243CC..Hα-helixtrans-59.5-43.3174.2-67.10000110.8I478 M485 L486 L520 V532 L536I478-C482 WeakPolarHBondContact O-CB 3.33Å; I478-C482 PolarHBondContact O-N 3.35Å; I478-C482 PolarHBondContact O-SG 3.17Å; C482-M485 PolarHBondContact O-N 3.06Å; C482-L486 WeakPolarHBondContact O-CB 3.29Å; C482-L486 WeakPolarHBondContact O-CG 3.44Å; C482-L486 PolarHBondContact O-N 2.95Å; C482-L520 HydrophobicContact CB-CD1 4.48Å; C482-V532 HydrophobicContact CB-CG1 3.86Å; C482-L536 HydrophobicContact CB-CB 4.01Å; C482-L536 HydrophobicContact CB-CD1 4.03Å; C482-L536 HydrophobicContact CB-CD2 4.09Å; C482-L536 HydrophobicContact CB-CG 4.26Å
483I87.9Confident83.9Confident24 Ų2447.9 Ų47.912%0.12323%0.226CC..Hα-helixtrans-63.6-45.2179.2-71.1-179.5000112.1I479 S481 M485 L486 S487 L536 T597 H601I479-I483 HydrophobicContact CG2-CD1 3.34Å; I479-I483 HydrophobicContact CG2-CG1 4.3Å; I479-I483 WeakPolarHBondContact O-CB 3.3Å; I479-I483 WeakPolarHBondContact O-CD1 3.42Å; I479-I483 WeakPolarHBondContact O-CG1 3.38Å; I479-I483 PolarHBondContact O-N 3.44Å; S481-I483 VanDerWaalsContact C-N 3.28Å; S481-I483 PolarHBondContact O-N 3.47Å; I483-M485 VanDerWaalsContact C-N 3.33Å; I483-M485 PolarHBondContact O-N 3.07Å; I483-L486 PolarHBondContact O-N 3.01Å; I483-S487 WeakPolarHBondContact O-CB 3.33Å; I483-S487 PolarHBondContact O-N 2.82Å; I483-S487 PolarHBondContact O-OG 3.48Å; I483-L536 HydrophobicContact CG1-CD2 4.3Å; I483-T597 HydrophobicContact CD1-CG2 3.18Å; I483-H601 VanDerWaalsContact CB-CE1 3.48Å; I483-H601 WeakPolarHBondContact CB-CE1 3.33Å; I483-H601 WeakPolarHBondContact CD1-NE2 3.3Å; I483-H601 WeakPolarHBondContact CG1-CE1 3.39Å; I483-H601 WeakPolarHBondContact CG1-NE2 3.49Å; I483-H601 WeakPolarHBondContact CG2-CE1 3.23Å; I483-H601 WeakPolarHBondContact CG2-ND1 3.48Å
484R87.5Confident84.2Confident86 Ų8653.1 Ų53.133%0.32525%0.25SS..Hα-helixtrans-54.6-51.4174.2177.7-177.559.478.75.1110.3R480 S481 L486 S487 L488 L520R480-R484 WeakPolarHBondContact O-CB 3.35Å; R480-R484 PolarHBondContact O-N 3.38Å; S481-R484 PolarHBondContact O-N 3.37Å; S481-R484 PolarHBondContact OG-NH2 3.48Å; R484-L486 PolarHBondContact O-N 3.47Å; R484-S487 PolarHBondContact O-N 3.14Å; R484-L488 HydrophobicContact CG-CD1 3.96Å; R484-L488 WeakPolarHBondContact O-CG 3.45Å; R484-L488 PolarHBondContact O-N 3.36Å; R484-L520 PolarHBondContact NH2-O 3.3Å
485M87.4Confident84.5Confident5 Ų548 Ų483%0.02523%0.23CC..Hα-helixtrans-60.6-45.6178.9-77.5-56.2-66.200113.2S481 C482 I483 S487 L488 F489 L520 V523 V532S481-M485 PolarHBondContact O-N 2.95Å; C482-M485 PolarHBondContact O-N 3.06Å; I483-M485 VanDerWaalsContact C-N 3.33Å; I483-M485 PolarHBondContact O-N 3.07Å; M485-S487 VanDerWaalsContact C-N 3.28Å; M485-S487 PolarHBondContact O-N 3.43Å; M485-L488 PolarHBondContact O-N 3.49Å; M485-F489 HydrophobicContact CE-CD2 3.4Å; M485-F489 VanDerWaalsContact CE-CD2 3.4Å; M485-F489 HydrophobicContact CE-CE2 3.53Å; M485-F489 PolarHBondContact O-N 2.84Å; M485-F489 HydrophobicContact SD-CD2 4.01Å; M485-F489 HydrophobicContact SD-CE2 3.79Å; M485-L520 HydrophobicContact CG-CB 3.87Å; M485-L520 HydrophobicContact CG-CD1 4.04Å; M485-L520 HydrophobicContact CG-CG 4.39Å; M485-V523 HydrophobicContact CE-CB 3.59Å; M485-V523 HydrophobicContact CE-CG1 3.3Å; M485-V523 HydrophobicContact SD-CB 3.99Å; M485-V523 HydrophobicContact SD-CG1 4.35Å; M485-V532 HydrophobicContact CB-CG1 4.06Å
486L88.1Confident84.3Confident0 Ų047.1 Ų47.10%023%0.226CC..Iπ-helixtrans-67.7-29.7178.9-65.9172.5000112.6C482 I483 R484 G490 L491 V496 F497 V529 V532 A533 L536 L607C482-L486 WeakPolarHBondContact O-CB 3.29Å; C482-L486 WeakPolarHBondContact O-CG 3.44Å; C482-L486 PolarHBondContact O-N 2.95Å; I483-L486 PolarHBondContact O-N 3.01Å; R484-L486 PolarHBondContact O-N 3.47Å; L486-G490 CarbonylContact O-C 3.59Å; L486-G490 WeakPolarHBondContact O-CA 3.49Å; L486-G490 PolarHBondContact O-N 2.85Å; L486-L491 PolarHBondContact O-N 3.29Å; L486-V496 HydrophobicContact CD2-CG1 3.56Å; L486-F497 HydrophobicContact CD1-CE1 4.05Å; L486-F497 HydrophobicContact CD1-CZ 3.85Å; L486-V529 HydrophobicContact CD2-CG1 4.16Å; L486-V532 HydrophobicContact CD1-CG1 4.45Å; L486-V532 HydrophobicContact CD2-CB 4.43Å; L486-V532 HydrophobicContact CD2-CG1 4.12Å; L486-V532 HydrophobicContact CG-CG1 3.96Å; L486-A533 HydrophobicContact CD2-CB 3.97Å; L486-L536 HydrophobicContact CD1-CD2 3.69Å; L486-L607 HydrophobicContact CB-CD1 4.06Å
487S82.1Confident84.2Confident27 Ų2749.6 Ų49.619%0.18924%0.238CC..Iπ-helixtrans-75.2-35.2175.4-51.80000111.6I483 R484 M485 L491I483-S487 WeakPolarHBondContact O-CB 3.33Å; I483-S487 PolarHBondContact O-N 2.82Å; I483-S487 PolarHBondContact O-OG 3.48Å; R484-S487 PolarHBondContact O-N 3.14Å; M485-S487 VanDerWaalsContact C-N 3.28Å; M485-S487 PolarHBondContact O-N 3.43Å; S487-L491 VanDerWaalsContact O-CD1 3.29Å; S487-L491 WeakPolarHBondContact O-CD1 3.47Å
488L83.9Confident83.9Confident110 Ų11058 Ų5858%0.57627%0.266SS*.Iπ-helixtrans-75.1-42.8178.7-71.6171.2000112.8R484 M485R484-L488 HydrophobicContact CG-CD1 3.96Å; R484-L488 WeakPolarHBondContact O-CG 3.45Å; R484-L488 PolarHBondContact O-N 3.36Å; M485-L488 PolarHBondContact O-N 3.49Å
489F85.7Confident83.6Confident56 Ų5661.4 Ų61.425%0.24629%0.286CS..Iπ-helixtrans-123-20.7-169.4-55.2-68.2000114.2M485 T524 D525 A526 V529M485-F489 HydrophobicContact CE-CD2 3.4Å; M485-F489 VanDerWaalsContact CE-CD2 3.4Å; M485-F489 HydrophobicContact CE-CE2 3.53Å; M485-F489 PolarHBondContact O-N 2.84Å; M485-F489 HydrophobicContact SD-CD2 4.01Å; M485-F489 HydrophobicContact SD-CE2 3.79Å; F489-T524 WeakPolarHBondContact CE1-O 3.35Å; F489-T524 WeakPolarHBondContact CZ-O 3.21Å; F489-D525 WeakPolarHBondContact CD2-O 3.32Å; F489-A526 HydrophobicContact CB-CB 3.8Å; F489-A526 HydrophobicContact CD1-CB 4.31Å; F489-A526 HydrophobicContact CG-CB 4.29Å; F489-V529 HydrophobicContact CB-CG2 3.7Å
490G79.8Confident83.3Confident3 Ų366.2 Ų66.23%0.03132%0.32CS..Iπ-helixtrans-84.2-21.1-172.800000115.2L486 H492 H493 V496L486-G490 CarbonylContact O-C 3.59Å; L486-G490 WeakPolarHBondContact O-CA 3.49Å; L486-G490 PolarHBondContact O-N 2.85Å; G490-H492 VanDerWaalsContact C-N 3.27Å; G490-H492 PolarHBondContact O-N 3.03Å; G490-H493 PolarHBondContact O-N 2.9Å; G490-H493 VanDerWaalsContact O-N 3.15Å; G490-V496 WeakPolarHBondContact O-CG2 3.36Å
491L74.8Confident83.3Confident60 Ų6062 Ų6231%0.31431%0.308SS..THydrogen-bonded Turntrans-60.5-34.2-172.6-69.5175.6000113.8L486 S487 D605 A606 L607L486-L491 PolarHBondContact O-N 3.29Å; S487-L491 VanDerWaalsContact O-CD1 3.29Å; S487-L491 WeakPolarHBondContact O-CD1 3.47Å; L491-D605 HydrophobicContact CD1-CB 4.32Å; L491-D605 WeakPolarHBondContact CD2-O 3.21Å; L491-A606 HydrophobicContact CD2-CB 4.49Å; L491-L607 HydrophobicContact CD2-CD1 3.83Å; L491-L607 HydrophobicContact CD2-CG 3.92Å
492H76.2Confident83.4Confident190 Ų19064.1 Ų64.188%0.8832%0.323SS*.THydrogen-bonded Turntrans-103.6-0.2179.7-59.4-58.9000113.6G490G490-H492 VanDerWaalsContact C-N 3.27Å; G490-H492 PolarHBondContact O-N 3.03Å
493H81.1Confident83.5Confident65 Ų6569.6 Ų69.630%0.30135%0.348SS..SBendtrans-82.4128.7-176.8-16675.7000111.1G490 G495 V496 V529 N530G490-H493 PolarHBondContact O-N 2.9Å; G490-H493 VanDerWaalsContact O-N 3.15Å; H493-G495 PolarHBondContact O-N 2.97Å; H493-G495 VanDerWaalsContact O-N 3.17Å; H493-V496 HydrophobicContact CB-CG2 3.68Å; H493-V496 VanDerWaalsContact O-CG2 3.24Å; H493-V496 WeakPolarHBondContact O-CG2 3.4Å; H493-V529 HydrophobicContact CB-CG1 3.94Å; H493-N530 PolarHBondContact CD2-OD1 2.87Å; H493-N530 VanDerWaalsContact CD2-OD1 3.29Å; H493-N530 PolarHBondContact NE2-ND2 3.4Å; H493-N530 PolarHBondContact NE2-OD1 3.45Å
494Q78.4Confident83.7Confident177 Ų17775.3 Ų75.383%0.82738%0.378SS*.THydrogen-bonded Turntrans-70.7118.1-174.8-171.7177.42.600110.7
495G79.3Confident84Confident16 Ų1674.5 Ų74.517%0.16538%0.378CS..THydrogen-bonded Turntrans80.127.9169.700000115.5H493 F497 R498 V499H493-G495 PolarHBondContact O-N 2.97Å; H493-G495 VanDerWaalsContact O-N 3.17Å; G495-F497 PolarHBondContact O-N 3.39Å; G495-R498 PolarHBondContact O-N 3.29Å; G495-V499 PolarHBondContact O-N 3.46Å
496V78Confident84.3Confident12 Ų1274.7 Ų74.77%0.07338%0.379CS..THydrogen-bonded Turntrans-41.6-40.1-179.81780000115.4L486 G490 H493 V529 A533L486-V496 HydrophobicContact CD2-CG1 3.56Å; G490-V496 WeakPolarHBondContact O-CG2 3.36Å; H493-V496 HydrophobicContact CB-CG2 3.68Å; H493-V496 VanDerWaalsContact O-CG2 3.24Å; H493-V496 WeakPolarHBondContact O-CG2 3.4Å; V496-V529 HydrophobicContact CB-CG1 4.44Å; V496-V529 HydrophobicContact CG1-CG1 4.04Å; V496-V529 HydrophobicContact CG2-CG1 3.79Å; V496-A533 HydrophobicContact CG1-CB 3.65Å; V496-A533 WeakPolarHBondContact O-CB 3.48Å
497F83.1Confident84.6Confident53 Ų5377.9 Ų77.923%0.23240%0.396CS..THydrogen-bonded Turntrans-108.45.4176.6-62.9-62.8000114.7L486 G495 A533 K537 L607 L611L486-F497 HydrophobicContact CD1-CE1 4.05Å; L486-F497 HydrophobicContact CD1-CZ 3.85Å; G495-F497 PolarHBondContact O-N 3.39Å; F497-A533 HydrophobicContact CD1-CB 3.7Å; F497-A533 HydrophobicContact CE1-CB 3.77Å; F497-K537 HydrophobicContact CD1-CD 4.33Å; F497-K537 VanDerWaalsContact CD1-CE 3.46Å; F497-K537 HydrophobicContact CD1-CG 4.19Å; F497-K537 WeakPolarHBondContact O-CE 3.34Å; F497-K537 PolarHBondContact O-NZ 3.11Å; F497-L607 HydrophobicContact CD2-CD2 4.25Å; F497-L607 HydrophobicContact CE2-CD2 3.36Å; F497-L607 HydrophobicContact CZ-CD2 3.97Å; F497-L611 HydrophobicContact CB-CD2 4.03Å; F497-L611 HydrophobicContact CD2-CD2 4.06Å; F497-L611 HydrophobicContact CD2-CG 4.43Å; F497-L611 HydrophobicContact CE2-CD1 4.43Å; F497-L611 HydrophobicContact CG-CD2 4.14Å
498R81.2Confident85.1Confident230 Ų23079 Ų7987%0.86841%0.407SS*.THydrogen-bonded Turntrans-112-37.9-179.3-170.1178.4178.1-157.5-0.9112.5G495G495-R498 PolarHBondContact O-N 3.29Å
499V83.5Confident85.7Confident70 Ų7074.6 Ų74.642%0.42438%0.384SS..SBendtrans-81.6129.6172.6-179.20000107.8G495G495-V499 PolarHBondContact O-N 3.46Å
500S83.8Confident86Confident101 Ų10174.1 Ų74.171%0.70638%0.381SS*.  trans-75.7133.3176.4-61.50000110.1
501G87.2Confident86.6Confident13 Ų1379.3 Ų79.313%0.13441%0.405CS..  trans-71.7176.5167.700000112.7Q503 S531G501-Q503 PolarHBondContact O-N 3.04Å; G501-S531 WeakPolarHBondContact CA-OG 3.32Å
502S92Very high87.5Confident48 Ų4876.7 Ų76.734%0.33639%0.392SS..  trans-62.6122.6174.4174.80000109.6L504 E505 I506 S531S502-L504 PolarHBondContact O-N 3.24Å; S502-E505 VanDerWaalsContact CB-CD 3.48Å; S502-E505 WeakPolarHBondContact CB-OE2 3.38Å; S502-E505 PolarHBondContact O-N 3.32Å; S502-E505 VanDerWaalsContact O-N 3.16Å; S502-I506 WeakPolarHBondContact O-CG1 3.36Å; S502-I506 PolarHBondContact O-N 3.41Å; S502-S531 PolarHBondContact N-OG 2.71Å
503Q92.3Very high88.2Confident116 Ų11668.1 Ų68.154%0.54235%0.352SS..Hα-helixtrans-63.6-28.5-178.8-165.159.539.900112G501 N507G501-Q503 PolarHBondContact O-N 3.04Å; Q503-N507 PolarHBondContact NE2-OD1 3.28Å; Q503-N507 WeakPolarHBondContact O-CB 3.49Å; Q503-N507 PolarHBondContact O-N 3.39Å; Q503-N507 VanDerWaalsContact O-N 3.09Å; Q503-N507 PolarHBondContact O-ND2 3.07Å
504L92.1Very high88.6Confident143 Ų14369.4 Ų69.475%0.74936%0.358SS*.Hα-helixtrans-65.9-46.6174.5-67.5173.3000111.3S502 N507 A508S502-L504 PolarHBondContact O-N 3.24Å; L504-N507 PolarHBondContact O-N 3.48Å; L504-A508 WeakPolarHBondContact O-CB 3.44Å; L504-A508 PolarHBondContact O-N 2.99Å
505E93Very high88.9Confident70 Ų7067.5 Ų67.533%0.32734%0.343SS..Hα-helixtrans-65.7-42.9176.8-72.5160.4-154.800111.8S502 N507 A508 F509 S531S502-E505 VanDerWaalsContact CB-CD 3.48Å; S502-E505 WeakPolarHBondContact CB-OE2 3.38Å; S502-E505 PolarHBondContact O-N 3.32Å; S502-E505 VanDerWaalsContact O-N 3.16Å; E505-N507 VanDerWaalsContact C-N 3.29Å; E505-N507 PolarHBondContact O-N 3.16Å; E505-A508 PolarHBondContact O-N 3.47Å; E505-F509 HydrophobicContact CB-CE2 4.31Å; E505-F509 VanDerWaalsContact O-CD2 3.32Å; E505-F509 WeakPolarHBondContact O-CD2 3.39Å; E505-F509 WeakPolarHBondContact O-CG 3.29Å; E505-F509 PolarHBondContact O-N 3.3Å; E505-S531 VanDerWaalsContact OE2-CB 3.23Å; E505-S531 WeakPolarHBondContact OE2-CB 3.26Å; E505-S531 PolarHBondContact OE2-OG 3.35Å
506I94.2Very high89.1Confident9 Ų969.6 Ų69.65%0.04637%0.365CS..Hα-helixtrans-57.8-44.2176.7-68.2166.5000110.8S502 K510 S531 V535 L538S502-I506 WeakPolarHBondContact O-CG1 3.36Å; S502-I506 PolarHBondContact O-N 3.41Å; I506-K510 WeakPolarHBondContact O-CB 3.23Å; I506-K510 PolarHBondContact O-N 2.93Å; I506-S531 WeakPolarHBondContact CG1-O 3.48Å; I506-V535 HydrophobicContact CG2-CB 4.22Å; I506-L538 HydrophobicContact CG2-CD2 3.86Å
507N94Very high89.6Confident67 Ų6773.6 Ų73.636%0.35838%0.383SS..Hα-helixtrans-69-40.2177.7-69.7-12.6000111.7Q503 L504 E505 K510 E511Q503-N507 PolarHBondContact NE2-OD1 3.28Å; Q503-N507 WeakPolarHBondContact O-CB 3.49Å; Q503-N507 PolarHBondContact O-N 3.39Å; Q503-N507 VanDerWaalsContact O-N 3.09Å; Q503-N507 PolarHBondContact O-ND2 3.07Å; L504-N507 PolarHBondContact O-N 3.48Å; E505-N507 VanDerWaalsContact C-N 3.29Å; E505-N507 PolarHBondContact O-N 3.16Å; N507-K510 WeakPolarHBondContact O-CB 3.44Å; N507-K510 PolarHBondContact O-N 3.37Å; N507-E511 WeakPolarHBondContact O-CG 3.3Å; N507-E511 PolarHBondContact O-N 3.08Å
508A94.1Very high90Very high51 Ų5173.2 Ų73.242%0.42138%0.383SS..Hα-helixtrans-61.8-43.8175.500000112.1L504 E505 E511 A512L504-A508 WeakPolarHBondContact O-CB 3.44Å; L504-A508 PolarHBondContact O-N 2.99Å; E505-A508 PolarHBondContact O-N 3.47Å; A508-E511 PolarHBondContact O-N 2.86Å; A508-A512 WeakPolarHBondContact O-CB 3.47Å; A508-A512 PolarHBondContact O-N 2.93Å
509F95.3Very high90.5Very high17 Ų1764.3 Ų64.38%0.07536%0.355CS..Hα-helixtrans-62.5-43.3173.8-67.1-34.8000111.8E505 E511 A512 F513 P519 L520 D528 V532 V535E505-F509 HydrophobicContact CB-CE2 4.31Å; E505-F509 VanDerWaalsContact O-CD2 3.32Å; E505-F509 WeakPolarHBondContact O-CD2 3.39Å; E505-F509 WeakPolarHBondContact O-CG 3.29Å; E505-F509 PolarHBondContact O-N 3.3Å; F509-E511 PolarHBondContact O-N 3.4Å; F509-A512 PolarHBondContact O-N 3.45Å; F509-F513 HydrophobicContact CB-CD2 4.48Å; F509-F513 WeakPolarHBondContact O-CB 3.38Å; F509-F513 WeakPolarHBondContact O-CD2 3.46Å; F509-F513 PolarHBondContact O-N 3.2Å; F509-P519 HydrophobicContact CB-CG 4.4Å; F509-P519 HydrophobicContact CD1-CB 3.71Å; F509-P519 HydrophobicContact CD1-CG 3.62Å; F509-P519 HydrophobicContact CE1-CB 4.1Å; F509-P519 HydrophobicContact CE1-CG 4.37Å; F509-P519 HydrophobicContact CG-CG 4.4Å; F509-L520 HydrophobicContact CD1-CD2 4.15Å; F509-L520 HydrophobicContact CE1-CD2 3.68Å; F509-L520 HydrophobicContact CE2-CD2 4.33Å; F509-L520 HydrophobicContact CZ-CD2 3.78Å; F509-D528 HydrophobicContact CE2-CB 4.21Å; F509-D528 HydrophobicContact CZ-CB 3.98Å; F509-V532 HydrophobicContact CE2-CG2 4.06Å; F509-V532 HydrophobicContact CZ-CG2 4.47Å; F509-V535 HydrophobicContact CB-CB 4.1Å; F509-V535 HydrophobicContact CB-CG1 4.02Å; F509-V535 HydrophobicContact CB-CG2 3.91Å; F509-V535 HydrophobicContact CD2-CG1 4.13Å; F509-V535 HydrophobicContact CG-CG1 4.46Å
510K93.5Very high90.8Very high46 Ų4661 Ų6120%0.234%0.335CS..Hα-helixtrans-56.1-50.6175.3168.4168.7178.8175.20111.2F460 I506 N507 F513 E514 V535 L538 E542F460-K510 HydrophobicContact CD1-CD 3.93Å; F460-K510 HydrophobicContact CD1-CG 4.17Å; F460-K510 HydrophobicContact CD2-CD 4.32Å; F460-K510 HydrophobicContact CD2-CG 3.78Å; F460-K510 HydrophobicContact CE1-CB 4.29Å; F460-K510 HydrophobicContact CE1-CD 4.04Å; F460-K510 HydrophobicContact CE1-CG 4.02Å; F460-K510 HydrophobicContact CE2-CB 4.01Å; F460-K510 HydrophobicContact CE2-CD 4.43Å; F460-K510 HydrophobicContact CE2-CG 3.63Å; F460-K510 HydrophobicContact CG-CD 4.07Å; F460-K510 HydrophobicContact CG-CG 4.06Å; F460-K510 HydrophobicContact CZ-CB 3.8Å; F460-K510 HydrophobicContact CZ-CD 4.28Å; F460-K510 HydrophobicContact CZ-CG 3.74Å; I506-K510 WeakPolarHBondContact O-CB 3.23Å; I506-K510 PolarHBondContact O-N 2.93Å; N507-K510 WeakPolarHBondContact O-CB 3.44Å; N507-K510 PolarHBondContact O-N 3.37Å; K510-F513 PolarHBondContact O-N 2.98Å; K510-E514 WeakPolarHBondContact O-CG 3.47Å; K510-E514 PolarHBondContact O-N 2.83Å; K510-V535 HydrophobicContact CB-CG2 4.29Å; K510-L538 HydrophobicContact CD-CD2 3.81Å; K510-E542 IonicContact NZ-OE1 3.75Å; K510-E542 PolarHBondContact NZ-OE1 2.76Å; K510-E542 IonicContact NZ-OE2 3.88Å; K510-E542 PolarHBondContact NZ-OE2 3.15Å
511E92.2Very high90.9Very high112 Ų11258.5 Ų58.552%0.52332%0.321SS..Hα-helixtrans-64.8-40.5-179.3-70.3179.3-171.900112.7N507 A508 F509 E514 R515N507-E511 WeakPolarHBondContact O-CG 3.3Å; N507-E511 PolarHBondContact O-N 3.08Å; A508-E511 PolarHBondContact O-N 2.86Å; F509-E511 PolarHBondContact O-N 3.4Å; E511-E514 PolarHBondContact O-N 3.41Å; E511-R515 WeakPolarHBondContact O-CG 3.43Å; E511-R515 PolarHBondContact O-N 3.43Å; E511-R515 IonicContact OE2-NH1 3.1Å
512A91.9Very high90.8Very high5 Ų565.1 Ų65.14%0.04135%0.353CS..Hα-helixtrans-62.2-47.9175.800000111.7A508 F509 E514 R515 G516 E517 P519A508-A512 WeakPolarHBondContact O-CB 3.47Å; A508-A512 PolarHBondContact O-N 2.93Å; F509-A512 PolarHBondContact O-N 3.45Å; A512-E514 VanDerWaalsContact C-N 3.33Å; A512-E514 PolarHBondContact O-N 2.87Å; A512-R515 PolarHBondContact O-N 2.98Å; A512-R515 VanDerWaalsContact O-N 3.12Å; A512-G516 PolarHBondContact O-N 3.08Å; A512-E517 HydrophobicContact CB-CB 4.33Å; A512-E517 WeakPolarHBondContact O-CB 3.41Å; A512-E517 PolarHBondContact O-N 3.27Å; A512-P519 HydrophobicContact CB-CB 3.89Å; A512-P519 HydrophobicContact CB-CG 3.77Å
513F92.4Very high90.4Very high9 Ų964.3 Ų64.34%0.03935%0.346CS..Hα-helixtrans-64.1-35.1175.6-77.1-58.7000112.7L459 F460 I478 F509 K510 R515 G516 E517 P519 L520L459-F513 HydrophobicContact CD2-CB 3.59Å; F460-F513 HydrophobicContact CE2-CB 4.41Å; I478-F513 HydrophobicContact CB-CB 4.47Å; I478-F513 HydrophobicContact CB-CD1 3.97Å; I478-F513 HydrophobicContact CB-CD2 4.19Å; I478-F513 HydrophobicContact CB-CE1 4.2Å; I478-F513 HydrophobicContact CB-CE2 4.42Å; I478-F513 HydrophobicContact CB-CG 3.97Å; I478-F513 HydrophobicContact CB-CZ 4.43Å; I478-F513 HydrophobicContact CD1-CB 4.29Å; I478-F513 HydrophobicContact CD1-CD2 3.78Å; I478-F513 HydrophobicContact CD1-CE2 4.35Å; I478-F513 HydrophobicContact CD1-CG 4.12Å; I478-F513 HydrophobicContact CG1-CD1 4.43Å; I478-F513 HydrophobicContact CG1-CD2 3.75Å; I478-F513 HydrophobicContact CG1-CE2 3.9Å; I478-F513 HydrophobicContact CG1-CG 4.05Å; I478-F513 HydrophobicContact CG1-CZ 4.31Å; F509-F513 HydrophobicContact CB-CD2 4.48Å; F509-F513 WeakPolarHBondContact O-CB 3.38Å; F509-F513 WeakPolarHBondContact O-CD2 3.46Å; F509-F513 PolarHBondContact O-N 3.2Å; K510-F513 PolarHBondContact O-N 2.98Å; F513-R515 VanDerWaalsContact C-N 3.31Å; F513-R515 PolarHBondContact O-N 2.89Å; F513-G516 PolarHBondContact O-N 3.13Å; F513-G516 VanDerWaalsContact O-N 3.1Å; F513-E517 WeakPolarHBondContact CD1-O 3.07Å; F513-P519 HydrophobicContact CD2-CG 4.17Å; F513-P519 HydrophobicContact CE1-CG 4.46Å; F513-P519 HydrophobicContact CE2-CG 3.86Å; F513-P519 HydrophobicContact CZ-CG 4.02Å; F513-L520 HydrophobicContact CE2-CD1 4.27Å; F513-L520 HydrophobicContact CE2-CG 4.48Å; F513-L520 HydrophobicContact CZ-CD1 3.98Å; F513-L520 HydrophobicContact CZ-CG 4.14Å
514E88.5Confident89.8Confident92 Ų9264.5 Ų64.543%0.4336%0.355SS..Hα-helixtrans-66.7-29.3173-78.5-152.5151.500113.5L459 F460 K510 E511 A512 G516L459-E514 HydrophobicContact CB-CG 4.45Å; F460-E514 HydrophobicContact CD2-CG 3.72Å; F460-E514 HydrophobicContact CE2-CG 4.34Å; K510-E514 WeakPolarHBondContact O-CG 3.47Å; K510-E514 PolarHBondContact O-N 2.83Å; E511-E514 PolarHBondContact O-N 3.41Å; A512-E514 VanDerWaalsContact C-N 3.33Å; A512-E514 PolarHBondContact O-N 2.87Å; E514-G516 PolarHBondContact O-N 3.22Å
515R85.2Confident89.4Confident138 Ų13861.6 Ų61.652%0.52134%0.341SS..Hα-helixtrans-76.1-8.3171.3-70.3-171.1-58.5-90.1-1.9113.3E511 A512 F513 E517E511-R515 WeakPolarHBondContact O-CG 3.43Å; E511-R515 PolarHBondContact O-N 3.43Å; E511-R515 IonicContact OE2-NH1 3.1Å; A512-R515 PolarHBondContact O-N 2.98Å; A512-R515 VanDerWaalsContact O-N 3.12Å; F513-R515 VanDerWaalsContact C-N 3.31Å; F513-R515 PolarHBondContact O-N 2.89Å; R515-E517 HydrophobicContact CB-CG 4.34Å; R515-E517 IonicContact CZ-OE2 3.32Å; R515-E517 IonicContact NE-OE1 3.44Å; R515-E517 PolarHBondContact NE-OE1 3.48Å; R515-E517 IonicContact NE-OE2 2.61Å; R515-E517 PolarHBondContact NE-OE2 3.31Å; R515-E517 IonicContact NH2-OE2 3.3Å; R515-E517 PolarHBondContact NH2-OE2 2.86Å
516G84.1Confident88.9Confident60 Ų6060.2 Ų60.262%0.61934%0.341SS*.THydrogen-bonded Turntrans84.611.6-175.800000114A512 F513 E514A512-G516 PolarHBondContact O-N 3.08Å; F513-G516 PolarHBondContact O-N 3.13Å; F513-G516 VanDerWaalsContact O-N 3.1Å; E514-G516 PolarHBondContact O-N 3.22Å
517E88.4Confident88.5Confident95 Ų9563.6 Ų63.644%0.44437%0.365SS..  trans-83.4155.2173.9-62.6157.9-163.700110.1A512 F513 R515 P519A512-E517 HydrophobicContact CB-CB 4.33Å; A512-E517 WeakPolarHBondContact O-CB 3.41Å; A512-E517 PolarHBondContact O-N 3.27Å; F513-E517 WeakPolarHBondContact CD1-O 3.07Å; R515-E517 HydrophobicContact CB-CG 4.34Å; R515-E517 IonicContact CZ-OE2 3.32Å; R515-E517 IonicContact NE-OE1 3.44Å; R515-E517 PolarHBondContact NE-OE1 3.48Å; R515-E517 IonicContact NE-OE2 2.61Å; R515-E517 PolarHBondContact NE-OE2 3.31Å; R515-E517 IonicContact NH2-OE2 3.3Å; R515-E517 PolarHBondContact NH2-OE2 2.86Å; E517-P519 WeakPolarHBondContact O-CD 3.47Å
518D90.8Very high88.2Confident46 Ų4662.1 Ų62.125%0.24636%0.358CS..  trans-108.891.6168.6-171.4-4.8000109.3L477 S481 L520 A521L477-D518 HydrophobicContact CD2-CB 4.06Å; L477-D518 HydrophobicContact CG-CB 4.45Å; S481-D518 WeakPolarHBondContact CB-OD1 3.49Å; S481-D518 WeakPolarHBondContact CB-OD2 3.35Å; S481-D518 PolarHBondContact OG-OD1 3.28Å; S481-D518 PolarHBondContact OG-OD2 2.98Å; D518-L520 PolarHBondContact O-N 3.34Å; D518-L520 WeakPolarHBondContact OD1-CB 3.41Å; D518-L520 PolarHBondContact OD1-N 3.35Å; D518-L520 VanDerWaalsContact OD1-N 3.1Å; D518-A521 HydrophobicContact CB-CB 4.18Å; D518-A521 PolarHBondContact O-N 3.49Å
519P91Very high88.1Confident42 Ų4259.9 Ų59.927%0.27334%0.338SS..THydrogen-bonded Turntrans-65.6-9.4-17930.6-37.5000112.7F509 A512 F513 E517F509-P519 HydrophobicContact CB-CG 4.4Å; F509-P519 HydrophobicContact CD1-CB 3.71Å; F509-P519 HydrophobicContact CD1-CG 3.62Å; F509-P519 HydrophobicContact CE1-CB 4.1Å; F509-P519 HydrophobicContact CE1-CG 4.37Å; F509-P519 HydrophobicContact CG-CG 4.4Å; A512-P519 HydrophobicContact CB-CB 3.89Å; A512-P519 HydrophobicContact CB-CG 3.77Å; F513-P519 HydrophobicContact CD2-CG 4.17Å; F513-P519 HydrophobicContact CE1-CG 4.46Å; F513-P519 HydrophobicContact CE2-CG 3.86Å; F513-P519 HydrophobicContact CZ-CG 4.02Å; E517-P519 WeakPolarHBondContact O-CD 3.47Å
520L91.2Very high87.8Confident0 Ų060.7 Ų60.70%034%0.343CS..THydrogen-bonded Turntrans-102.4-1.7-177.2-54.5-179000113S481 C482 R484 M485 F509 F513 D518 D522 V523 V532S481-L520 WeakPolarHBondContact OG-CB 3.36Å; C482-L520 HydrophobicContact CB-CD1 4.48Å; R484-L520 PolarHBondContact NH2-O 3.3Å; M485-L520 HydrophobicContact CG-CB 3.87Å; M485-L520 HydrophobicContact CG-CD1 4.04Å; M485-L520 HydrophobicContact CG-CG 4.39Å; F509-L520 HydrophobicContact CD1-CD2 4.15Å; F509-L520 HydrophobicContact CE1-CD2 3.68Å; F509-L520 HydrophobicContact CE2-CD2 4.33Å; F509-L520 HydrophobicContact CZ-CD2 3.78Å; F513-L520 HydrophobicContact CE2-CD1 4.27Å; F513-L520 HydrophobicContact CE2-CG 4.48Å; F513-L520 HydrophobicContact CZ-CD1 3.98Å; F513-L520 HydrophobicContact CZ-CG 4.14Å; D518-L520 PolarHBondContact O-N 3.34Å; D518-L520 WeakPolarHBondContact OD1-CB 3.41Å; D518-L520 PolarHBondContact OD1-N 3.35Å; D518-L520 VanDerWaalsContact OD1-N 3.1Å; L520-D522 VanDerWaalsContact C-N 3.33Å; L520-D522 PolarHBondContact O-N 3.35Å; L520-V523 HydrophobicContact CD2-CG2 4.32Å; L520-V523 PolarHBondContact O-N 3.35Å; L520-V532 HydrophobicContact CD1-CG1 3.91Å; L520-V532 HydrophobicContact CD1-CG2 4.01Å; L520-V532 HydrophobicContact CD2-CG2 3.69Å
521A86.2Confident87.8Confident50 Ų5058.6 Ų58.641%0.41334%0.335SS..THydrogen-bonded Turntrans-56-44.3-173.400000113D518D518-A521 HydrophobicContact CB-CB 4.18Å; D518-A521 PolarHBondContact O-N 3.49Å
522D84.7Confident87.9Confident152 Ų15253.3 Ų53.381%0.81331%0.31SS*.THydrogen-bonded Turntrans-103.56.5-174.5-61-39.1000113.9L520 T524L520-D522 VanDerWaalsContact C-N 3.33Å; L520-D522 PolarHBondContact O-N 3.35Å; D522-T524 PolarHBondContact O-N 3.12Å
523V83.2Confident87.8Confident30 Ų3053.1 Ų53.118%0.18231%0.308CS..  trans-74.3123.8-179.3-173.40000109.6M485 L520M485-V523 HydrophobicContact CE-CB 3.59Å; M485-V523 HydrophobicContact CE-CG1 3.3Å; M485-V523 HydrophobicContact SD-CB 3.99Å; M485-V523 HydrophobicContact SD-CG1 4.35Å; L520-V523 HydrophobicContact CD2-CG2 4.32Å; L520-V523 PolarHBondContact O-N 3.35Å
524T79.9Confident87.8Confident120 Ų12053.2 Ų53.274%0.73631%0.312SS*.  trans-121.35-173.249.50000113.9F489 D522F489-T524 WeakPolarHBondContact CE1-O 3.35Å; F489-T524 WeakPolarHBondContact CZ-O 3.21Å; D522-T524 PolarHBondContact O-N 3.12Å
525D84.3Confident88.1Confident83 Ų8348.8 Ų48.844%0.44429%0.291SS..SBendtrans-127.2176.4177.670.929.9000112.8F489 S527F489-D525 WeakPolarHBondContact CD2-O 3.32Å; D525-S527 VanDerWaalsContact OD1-CB 3.26Å; D525-S527 WeakPolarHBondContact OD1-CB 3.24Å; D525-S527 PolarHBondContact OD1-N 3.02Å; D525-S527 PolarHBondContact OD1-OG 3.17Å
526A82.2Confident88.4Confident41 Ų4142.5 Ų42.534%0.33927%0.268SS..SBendtrans-93.99.2-177.700000113.9F489 D528 V529F489-A526 HydrophobicContact CB-CB 3.8Å; F489-A526 HydrophobicContact CD1-CB 4.31Å; F489-A526 HydrophobicContact CG-CB 4.29Å; A526-D528 PolarHBondContact O-N 2.65Å; A526-V529 HydrophobicContact CB-CG2 4.01Å; A526-V529 VanDerWaalsContact O-CG2 3.25Å; A526-V529 WeakPolarHBondContact O-CG2 3.39Å; A526-V529 PolarHBondContact O-N 3.47Å
527S85.3Confident88.7Confident79 Ų7943.3 Ų43.355%0.55225%0.254SS*.THydrogen-bonded Turntrans-61.1-43.6-169.758.60000112.5D525D525-S527 VanDerWaalsContact OD1-CB 3.26Å; D525-S527 WeakPolarHBondContact OD1-CB 3.24Å; D525-S527 PolarHBondContact OD1-N 3.02Å; D525-S527 PolarHBondContact OD1-OG 3.17Å
528D88.5Confident88.8Confident37 Ų3739.4 Ų39.420%0.19824%0.237CC..THydrogen-bonded Turntrans-94.310.5-173.2-61.1-29.6000114F509 A526 N530 S531 V532F509-D528 HydrophobicContact CE2-CB 4.21Å; F509-D528 HydrophobicContact CZ-CB 3.98Å; A526-D528 PolarHBondContact O-N 2.65Å; D528-N530 VanDerWaalsContact C-N 3.28Å; D528-N530 PolarHBondContact O-N 3.41Å; D528-N530 VanDerWaalsContact O-N 3.14Å; D528-S531 CarbonylContact O-C 3.58Å; D528-S531 WeakPolarHBondContact O-CA 3.36Å; D528-S531 WeakPolarHBondContact O-CB 3.32Å; D528-S531 PolarHBondContact O-N 3.05Å; D528-V532 HydrophobicContact CB-CG2 4.26Å; D528-V532 WeakPolarHBondContact O-CG2 3.16Å; D528-V532 PolarHBondContact O-N 2.94Å
529V90.5Very high88.9Confident3 Ų337.3 Ų37.32%0.01823%0.225CC..Hα-helixtrans-53.9-41.9-171.3166.60000113L486 F489 H493 V496 A526 S531 A533L486-V529 HydrophobicContact CD2-CG1 4.16Å; F489-V529 HydrophobicContact CB-CG2 3.7Å; H493-V529 HydrophobicContact CB-CG1 3.94Å; V496-V529 HydrophobicContact CB-CG1 4.44Å; V496-V529 HydrophobicContact CG1-CG1 4.04Å; V496-V529 HydrophobicContact CG2-CG1 3.79Å; A526-V529 HydrophobicContact CB-CG2 4.01Å; A526-V529 VanDerWaalsContact O-CG2 3.25Å; A526-V529 WeakPolarHBondContact O-CG2 3.39Å; A526-V529 PolarHBondContact O-N 3.47Å; V529-S531 VanDerWaalsContact C-N 3.34Å; V529-A533 VanDerWaalsContact O-CB 3.31Å; V529-A533 WeakPolarHBondContact O-CB 3.31Å; V529-A533 PolarHBondContact O-N 3.37Å
530N90.4Very high88.8Confident34 Ų3438 Ų3818%0.18222%0.224CC..Hα-helixtrans-68-34.9178.5-68-30.1000111.9H493 D528 G534H493-N530 PolarHBondContact CD2-OD1 2.87Å; H493-N530 VanDerWaalsContact CD2-OD1 3.29Å; H493-N530 PolarHBondContact NE2-ND2 3.4Å; H493-N530 PolarHBondContact NE2-OD1 3.45Å; D528-N530 VanDerWaalsContact C-N 3.28Å; D528-N530 PolarHBondContact O-N 3.41Å; D528-N530 VanDerWaalsContact O-N 3.14Å; N530-G534 PolarHBondContact O-N 2.89Å
531S93.3Very high88.6Confident3 Ų347.1 Ų47.12%0.02126%0.259CS..Hα-helixtrans-76.1-38.9178.5-59.90000111.6G501 S502 E505 I506 D528 V529 G534 V535G501-S531 WeakPolarHBondContact CA-OG 3.32Å; S502-S531 PolarHBondContact N-OG 2.71Å; E505-S531 VanDerWaalsContact OE2-CB 3.23Å; E505-S531 WeakPolarHBondContact OE2-CB 3.26Å; E505-S531 PolarHBondContact OE2-OG 3.35Å; I506-S531 WeakPolarHBondContact CG1-O 3.48Å; D528-S531 CarbonylContact O-C 3.58Å; D528-S531 WeakPolarHBondContact O-CA 3.36Å; D528-S531 WeakPolarHBondContact O-CB 3.32Å; D528-S531 PolarHBondContact O-N 3.05Å; V529-S531 VanDerWaalsContact C-N 3.34Å; S531-G534 CarbonylContact O-C 3.49Å; S531-G534 WeakPolarHBondContact O-CA 3.28Å; S531-G534 PolarHBondContact O-N 2.95Å; S531-G534 VanDerWaalsContact O-N 3.14Å; S531-V535 PolarHBondContact O-N 3.27Å
532V93Very high88.8Confident1 Ų147.6 Ų47.61%0.00625%0.252CS..Hα-helixtrans-60.5-45.5170.5175.20000110.9C482 M485 L486 F509 L520 D528 G534 V535 L536C482-V532 HydrophobicContact CB-CG1 3.86Å; M485-V532 HydrophobicContact CB-CG1 4.06Å; L486-V532 HydrophobicContact CD1-CG1 4.45Å; L486-V532 HydrophobicContact CD2-CB 4.43Å; L486-V532 HydrophobicContact CD2-CG1 4.12Å; L486-V532 HydrophobicContact CG-CG1 3.96Å; F509-V532 HydrophobicContact CE2-CG2 4.06Å; F509-V532 HydrophobicContact CZ-CG2 4.47Å; L520-V532 HydrophobicContact CD1-CG1 3.91Å; L520-V532 HydrophobicContact CD1-CG2 4.01Å; L520-V532 HydrophobicContact CD2-CG2 3.69Å; D528-V532 HydrophobicContact CB-CG2 4.26Å; D528-V532 WeakPolarHBondContact O-CG2 3.16Å; D528-V532 PolarHBondContact O-N 2.94Å; V532-G534 VanDerWaalsContact C-N 3.28Å; V532-G534 PolarHBondContact O-N 2.85Å; V532-V535 VanDerWaalsContact O-CG1 3.29Å; V532-V535 WeakPolarHBondContact O-CG1 3.29Å; V532-V535 PolarHBondContact O-N 3.35Å; V532-L536 WeakPolarHBondContact O-CB 3.38Å; V532-L536 PolarHBondContact O-N 3.32Å
533A91.1Very high88.8Confident0 Ų041 Ų410%022%0.217CC..Hα-helixtrans-65.4-34174.500000112.6L486 V496 F497 V529 K537L486-A533 HydrophobicContact CD2-CB 3.97Å; V496-A533 HydrophobicContact CG1-CB 3.65Å; V496-A533 WeakPolarHBondContact O-CB 3.48Å; F497-A533 HydrophobicContact CD1-CB 3.7Å; F497-A533 HydrophobicContact CE1-CB 3.77Å; V529-A533 VanDerWaalsContact O-CB 3.31Å; V529-A533 WeakPolarHBondContact O-CB 3.31Å; V529-A533 PolarHBondContact O-N 3.37Å; A533-K537 WeakPolarHBondContact O-CB 3.48Å; A533-K537 WeakPolarHBondContact O-CG 3.28Å; A533-K537 PolarHBondContact O-N 3.48Å
534G92.3Very high88.7Confident11 Ų1146.6 Ų46.611%0.11324%0.235CC..Hα-helixtrans-63.6-49.217400000113.1N530 S531 V532 K537 L538N530-G534 PolarHBondContact O-N 2.89Å; S531-G534 CarbonylContact O-C 3.49Å; S531-G534 WeakPolarHBondContact O-CA 3.28Å; S531-G534 PolarHBondContact O-N 2.95Å; S531-G534 VanDerWaalsContact O-N 3.14Å; V532-G534 VanDerWaalsContact C-N 3.28Å; V532-G534 PolarHBondContact O-N 2.85Å; G534-K537 PolarHBondContact O-N 2.95Å; G534-L538 WeakPolarHBondContact O-CB 3.36Å; G534-L538 PolarHBondContact O-N 2.9Å
535V93.8Very high88.5Confident0 Ų044.7 Ų44.70%022%0.217CC..Hα-helixtrans-68.5-35.5179.371.40000112F460 I478 I506 F509 K510 S531 V532 L538 Y539F460-V535 HydrophobicContact CE1-CG2 4.35Å; F460-V535 HydrophobicContact CZ-CG2 3.8Å; I478-V535 HydrophobicContact CD1-CG2 4.25Å; I506-V535 HydrophobicContact CG2-CB 4.22Å; F509-V535 HydrophobicContact CB-CB 4.1Å; F509-V535 HydrophobicContact CB-CG1 4.02Å; F509-V535 HydrophobicContact CB-CG2 3.91Å; F509-V535 HydrophobicContact CD2-CG1 4.13Å; F509-V535 HydrophobicContact CG-CG1 4.46Å; K510-V535 HydrophobicContact CB-CG2 4.29Å; S531-V535 PolarHBondContact O-N 3.27Å; V532-V535 VanDerWaalsContact O-CG1 3.29Å; V532-V535 WeakPolarHBondContact O-CG1 3.29Å; V532-V535 PolarHBondContact O-N 3.35Å; V535-L538 WeakPolarHBondContact O-CB 3.41Å; V535-L538 PolarHBondContact O-N 3.08Å; V535-Y539 WeakPolarHBondContact O-CB 3.41Å; V535-Y539 PolarHBondContact O-N 3.47Å
536L92.1Very high88.2Confident5 Ų544 Ų443%0.02622%0.217CC..Hα-helixtrans-64.4-43.3173.8-175.361.1000111.7I479 C482 I483 L486 V532 Y539 F540I479-L536 HydrophobicContact CG1-CD1 4.42Å; C482-L536 HydrophobicContact CB-CB 4.01Å; C482-L536 HydrophobicContact CB-CD1 4.03Å; C482-L536 HydrophobicContact CB-CD2 4.09Å; C482-L536 HydrophobicContact CB-CG 4.26Å; I483-L536 HydrophobicContact CG1-CD2 4.3Å; L486-L536 HydrophobicContact CD1-CD2 3.69Å; V532-L536 WeakPolarHBondContact O-CB 3.38Å; V532-L536 PolarHBondContact O-N 3.32Å; L536-Y539 PolarHBondContact O-N 3.44Å; L536-F540 HydrophobicContact CD1-CD2 4.21Å; L536-F540 HydrophobicContact CD1-CE2 3.55Å; L536-F540 HydrophobicContact CD1-CZ 3.9Å; L536-F540 HydrophobicContact CD2-CE2 4.27Å; L536-F540 HydrophobicContact CG-CD2 4.15Å; L536-F540 HydrophobicContact CG-CE2 3.69Å; L536-F540 VanDerWaalsContact O-CD2 3.31Å; L536-F540 WeakPolarHBondContact O-CD2 3.32Å; L536-F540 PolarHBondContact O-N 3.49Å
537K90.4Very high88Confident77 Ų7743 Ų4334%0.33521%0.206SC..Hα-helixtrans-61.5-43.7172.3-82.3-173.7-113.2159.70111.9F497 A533 G534 Y539 F540 R541F497-K537 HydrophobicContact CD1-CD 4.33Å; F497-K537 VanDerWaalsContact CD1-CE 3.46Å; F497-K537 HydrophobicContact CD1-CG 4.19Å; F497-K537 WeakPolarHBondContact O-CE 3.34Å; F497-K537 PolarHBondContact O-NZ 3.11Å; A533-K537 WeakPolarHBondContact O-CB 3.48Å; A533-K537 WeakPolarHBondContact O-CG 3.28Å; A533-K537 PolarHBondContact O-N 3.48Å; G534-K537 PolarHBondContact O-N 2.95Å; K537-Y539 VanDerWaalsContact C-N 3.3Å; K537-Y539 PolarHBondContact O-N 3.45Å; K537-F540 PolarHBondContact O-N 2.93Å; K537-R541 VanDerWaalsContact O-CB 3.31Å; K537-R541 WeakPolarHBondContact O-CB 3.43Å; K537-R541 PolarHBondContact O-N 3.4Å
538L91.5Very high87.5Confident14 Ų1442.3 Ų42.37%0.07319%0.193CC..Hα-helixtrans-59.5-44.2179.1-176.461.9000110.9F460 I506 K510 G534 V535 R541 E542F460-L538 HydrophobicContact CD1-CG 4.32Å; F460-L538 HydrophobicContact CE1-CB 4.31Å; F460-L538 HydrophobicContact CE1-CD2 4.24Å; F460-L538 HydrophobicContact CE1-CG 4.02Å; I506-L538 HydrophobicContact CG2-CD2 3.86Å; K510-L538 HydrophobicContact CD-CD2 3.81Å; G534-L538 WeakPolarHBondContact O-CB 3.36Å; G534-L538 PolarHBondContact O-N 2.9Å; V535-L538 WeakPolarHBondContact O-CB 3.41Å; V535-L538 PolarHBondContact O-N 3.08Å; L538-R541 PolarHBondContact O-N 3.01Å; L538-E542 HydrophobicContact CD1-CG 4.14Å; L538-E542 VanDerWaalsContact CD1-OE1 3.28Å; L538-E542 WeakPolarHBondContact CD1-OE1 3.39Å; L538-E542 WeakPolarHBondContact O-CB 3.06Å; L538-E542 WeakPolarHBondContact O-CG 3.44Å; L538-E542 PolarHBondContact O-N 3.46Å
539Y91.5Very high86.7Confident2 Ų241.1 Ų41.11%0.00819%0.187CC..Hα-helixtrans-58.2-54.9177.1176.9-105.1000111.9L459 F460 L464 P476 I478 I479 V535 L536 K537 R541 E542 L543L459-Y539 HydrophobicContact CD1-CE2 3.69Å; L459-Y539 HydrophobicContact CG-CD2 4.24Å; L459-Y539 HydrophobicContact CG-CE2 3.77Å; L459-Y539 VanDerWaalsContact O-CE2 3.27Å; L459-Y539 WeakPolarHBondContact O-CE2 3.43Å; F460-Y539 HydrophobicContact CD1-CD2 4.28Å; F460-Y539 HydrophobicContact CE1-CD2 4.26Å; F460-Y539 HydrophobicContact CG-CD2 4.44Å; F460-Y539 HydrophobicContact CZ-CD2 4.39Å; L464-Y539 WeakPolarHBondContact CD1-OH 3.31Å; P476-Y539 WeakPolarHBondContact CG-OH 3.31Å; I478-Y539 HydrophobicContact CD1-CD2 3.95Å; I478-Y539 HydrophobicContact CD1-CG 3.92Å; I478-Y539 HydrophobicContact CG2-CD1 4.13Å; I478-Y539 HydrophobicContact CG2-CD2 3.9Å; I478-Y539 HydrophobicContact CG2-CE1 4.06Å; I478-Y539 HydrophobicContact CG2-CE2 3.81Å; I478-Y539 HydrophobicContact CG2-CG 4.05Å; I479-Y539 HydrophobicContact CD1-CD1 4.32Å; I479-Y539 HydrophobicContact CD1-CE1 3.54Å; I479-Y539 HydrophobicContact CG1-CD1 4.01Å; I479-Y539 HydrophobicContact CG1-CE1 3.66Å; V535-Y539 WeakPolarHBondContact O-CB 3.41Å; V535-Y539 PolarHBondContact O-N 3.47Å; L536-Y539 PolarHBondContact O-N 3.44Å; K537-Y539 VanDerWaalsContact C-N 3.3Å; K537-Y539 PolarHBondContact O-N 3.45Å; Y539-R541 VanDerWaalsContact C-N 3.26Å; Y539-R541 PolarHBondContact O-N 3.48Å; Y539-E542 PolarHBondContact O-N 3.2Å; Y539-E542 VanDerWaalsContact O-N 3.16Å; Y539-L543 HydrophobicContact CE1-CD1 4.44Å; Y539-L543 HydrophobicContact CE1-CD2 4.05Å; Y539-L543 HydrophobicContact CE1-CG 4.43Å; Y539-L543 HydrophobicContact CE2-CD2 4.11Å; Y539-L543 PolarHBondContact O-N 3.46Å; Y539-L543 VanDerWaalsContact O-N 3.13Å
540F88.8Confident85.9Confident55 Ų5548 Ų4824%0.24122%0.224CC..Hα-helixtrans-62.8-32.2179.9-69-48.4000113.4I479 L536 K537 L543 L547I479-F540 HydrophobicContact CD1-CE1 3.87Å; I479-F540 HydrophobicContact CD1-CZ 4.3Å; I479-F540 HydrophobicContact CG1-CE1 4Å; I479-F540 HydrophobicContact CG1-CZ 4.03Å; L536-F540 HydrophobicContact CD1-CD2 4.21Å; L536-F540 HydrophobicContact CD1-CE2 3.55Å; L536-F540 HydrophobicContact CD1-CZ 3.9Å; L536-F540 HydrophobicContact CD2-CE2 4.27Å; L536-F540 HydrophobicContact CG-CD2 4.15Å; L536-F540 HydrophobicContact CG-CE2 3.69Å; L536-F540 VanDerWaalsContact O-CD2 3.31Å; L536-F540 WeakPolarHBondContact O-CD2 3.32Å; L536-F540 PolarHBondContact O-N 3.49Å; K537-F540 PolarHBondContact O-N 2.93Å; F540-L543 HydrophobicContact CD1-CD1 3.99Å; F540-L547 HydrophobicContact CD1-CB 4.4Å; F540-L547 HydrophobicContact CD1-CD1 4.38Å; F540-L547 HydrophobicContact CD1-CD2 3.88Å; F540-L547 HydrophobicContact CD1-CG 4.46Å; F540-L547 HydrophobicContact CE1-CD1 4.13Å; F540-L547 HydrophobicContact CE1-CD2 3.59Å; F540-L547 HydrophobicContact CE1-CG 4.39Å; F540-L547 HydrophobicContact CZ-CD2 4.08Å
541R88.3Confident85.2Confident193 Ų19352.4 Ų52.473%0.72824%0.238SC*.Hα-helixtrans-71.4-34.6176.5-174.6178.569.1-176.93.5112.6K537 L538 Y539K537-R541 VanDerWaalsContact O-CB 3.31Å; K537-R541 WeakPolarHBondContact O-CB 3.43Å; K537-R541 PolarHBondContact O-N 3.4Å; L538-R541 PolarHBondContact O-N 3.01Å; Y539-R541 VanDerWaalsContact C-N 3.26Å; Y539-R541 PolarHBondContact O-N 3.48Å
542E89.3Confident84.1Confident59 Ų5952.2 Ų52.228%0.27624%0.237SC..Hα-helixtrans-90-1.1-178.5-70.2-173.8179.400113.2F460 G461 K510 L538 Y539 R544F460-E542 WeakPolarHBondContact CB-OE2 3.49Å; F460-E542 HydrophobicContact CD1-CB 4.44Å; F460-E542 WeakPolarHBondContact CD1-OE2 3.42Å; G461-E542 WeakPolarHBondContact CA-O 3.46Å; G461-E542 PolarHBondContact N-O 3.35Å; K510-E542 IonicContact NZ-OE1 3.75Å; K510-E542 PolarHBondContact NZ-OE1 2.76Å; K510-E542 IonicContact NZ-OE2 3.88Å; K510-E542 PolarHBondContact NZ-OE2 3.15Å; L538-E542 HydrophobicContact CD1-CG 4.14Å; L538-E542 VanDerWaalsContact CD1-OE1 3.28Å; L538-E542 WeakPolarHBondContact CD1-OE1 3.39Å; L538-E542 WeakPolarHBondContact O-CB 3.06Å; L538-E542 WeakPolarHBondContact O-CG 3.44Å; L538-E542 PolarHBondContact O-N 3.46Å; Y539-E542 PolarHBondContact O-N 3.2Å; Y539-E542 VanDerWaalsContact O-N 3.16Å; E542-R544 PolarHBondContact O-N 3.05Å
543L84.7Confident83.1Confident14 Ų1458.2 Ų58.27%0.07326%0.264CS..SBendtrans-58.4138.6171.5-72.4176.6000110.5L464 Y539 F540 E545 L547L464-L543 HydrophobicContact CB-CD2 4.41Å; Y539-L543 HydrophobicContact CE1-CD1 4.44Å; Y539-L543 HydrophobicContact CE1-CD2 4.05Å; Y539-L543 HydrophobicContact CE1-CG 4.43Å; Y539-L543 HydrophobicContact CE2-CD2 4.11Å; Y539-L543 PolarHBondContact O-N 3.46Å; Y539-L543 VanDerWaalsContact O-N 3.13Å; F540-L543 HydrophobicContact CD1-CD1 3.99Å; L543-E545 WeakPolarHBondContact CB-O 3.28Å; L543-E545 PolarHBondContact O-N 3.19Å; L543-L547 HydrophobicContact CD1-CB 4.42Å; L543-L547 HydrophobicContact CD1-CD1 4.37Å
544R82.1Confident82.2Confident147 Ų14764.1 Ų64.156%0.55530%0.295SS*.SBendtrans-56.4-38.1178.1-177.8-177.2-68.1158.76.3111.8G462 E466 E542G462-R544 WeakPolarHBondContact O-CB 3.43Å; G462-R544 PolarHBondContact O-N 3.46Å; E466-R544 IonicContact OE1-CZ 3.62Å; E466-R544 IonicContact OE1-NH1 2.84Å; E466-R544 PolarHBondContact OE1-NH1 3.1Å; E466-R544 IonicContact OE2-CZ 3.11Å; E466-R544 IonicContact OE2-NH1 3.66Å; E466-R544 PolarHBondContact OE2-NH1 3.03Å; E466-R544 IonicContact OE2-NH2 2.66Å; E542-R544 PolarHBondContact O-N 3.05Å
545E75.9Confident81.1Confident81 Ų8166.2 Ų66.238%0.37930%0.302SS..SBendtrans-118.4136172.1-64.9-176.9-173.400108.5L543 L547L543-E545 WeakPolarHBondContact CB-O 3.28Å; L543-E545 PolarHBondContact O-N 3.19Å; E545-L547 PolarHBondContact O-N 3.5Å
546P77.9Confident79.9Confident67 Ų6767.7 Ų67.744%0.43531%0.308SS..  trans-59.514317726.7-33.8000109.6F548P546-F548 CarbonylContact O-C 3.6Å; P546-F548 PolarHBondContact O-N 2.91Å
547L77.3Confident79Confident20 Ų2070.5 Ų70.511%0.10533%0.326CS..SBendtrans-51.3-32.3-178.5-170.369.5000112.5L464 F540 L543 E545 S590 S591L464-L547 HydrophobicContact CD2-CD1 3.84Å; F540-L547 HydrophobicContact CD1-CB 4.4Å; F540-L547 HydrophobicContact CD1-CD1 4.38Å; F540-L547 HydrophobicContact CD1-CD2 3.88Å; F540-L547 HydrophobicContact CD1-CG 4.46Å; F540-L547 HydrophobicContact CE1-CD1 4.13Å; F540-L547 HydrophobicContact CE1-CD2 3.59Å; F540-L547 HydrophobicContact CE1-CG 4.39Å; F540-L547 HydrophobicContact CZ-CD2 4.08Å; L543-L547 HydrophobicContact CD1-CB 4.42Å; L543-L547 HydrophobicContact CD1-CD1 4.37Å; E545-L547 PolarHBondContact O-N 3.5Å; L547-S590 WeakPolarHBondContact CD1-O 3.5Å; L547-S591 VanDerWaalsContact O-CA 3.31Å; L547-S591 WeakPolarHBondContact O-CA 3.3Å; L547-S591 PolarHBondContact O-OG 3.09Å
548F74.9Confident78.1Confident66 Ų6670.9 Ų70.929%0.28933%0.328SS..SBendtrans-116.9107.8168-58-62000109.2P546 F556 F577P546-F548 CarbonylContact O-C 3.6Å; P546-F548 PolarHBondContact O-N 2.91Å; F548-F556 HydrophobicContact CB-CE2 3.79Å; F548-F556 HydrophobicContact CB-CZ 4.08Å; F548-F556 HydrophobicContact CD1-CE1 4.05Å; F548-F556 AromaticContact CD1-CE2 3.91Å; F548-F556 HydrophobicContact CD1-CE2 3.91Å; F548-F556 AromaticContact CD1-CZ 3.3Å; F548-F556 HydrophobicContact CD1-CZ 3.3Å; F548-F556 HydrophobicContact CE1-CE1 4.25Å; F548-F556 AromaticContact CE1-CZ 3.87Å; F548-F556 HydrophobicContact CE1-CZ 3.87Å; F548-F556 HydrophobicContact CG-CE1 4.49Å; F548-F556 HydrophobicContact CG-CE2 4.05Å; F548-F556 AromaticContact CG-CZ 3.81Å; F548-F556 HydrophobicContact CG-CZ 3.81Å; F548-F577 AromaticContact CE1-CE1 3.98Å; F548-F577 HydrophobicContact CE1-CE1 3.98Å; F548-F577 HydrophobicContact CE2-CE1 4.37Å; F548-F577 HydrophobicContact CZ-CD1 4.45Å; F548-F577 AromaticContact CZ-CE1 3.58Å; F548-F577 HydrophobicContact CZ-CE1 3.58Å; F548-F577 HydrophobicContact CZ-CZ 4.27Å
549P70.9Confident76.9Confident11 Ų1170.7 Ų70.77%0.07133%0.328CS..  trans-57.5143.5176.5-26.334.5000112.6Y551 M552 N588 S591P549-Y551 HydrophobicContact CB-CD1 3.44Å; P549-Y551 VanDerWaalsContact CB-CD1 3.44Å; P549-Y551 HydrophobicContact CB-CE1 3.13Å; P549-Y551 HydrophobicContact CB-CG 4.31Å; P549-Y551 HydrophobicContact CG-CD1 4.47Å; P549-Y551 HydrophobicContact CG-CE1 3.71Å; P549-Y551 PolarHBondContact O-N 3.24Å; P549-Y551 VanDerWaalsContact O-N 3.14Å; P549-M552 WeakPolarHBondContact O-CB 3.13Å; P549-M552 PolarHBondContact O-N 3.48Å; P549-N588 VanDerWaalsContact CG-ND2 3.29Å; P549-N588 WeakPolarHBondContact CG-ND2 3.41Å; P549-S591 WeakPolarHBondContact CD-OG 3.5Å
550L75Confident75.7Confident149 Ų14973.2 Ų73.278%0.7835%0.35SS*.G310 helixtrans-58.8-30-177.2-66.8171.4000113.4M552 F553L550-M552 PolarHBondContact O-N 2.79Å; L550-F553 WeakPolarHBondContact O-CB 3.45Å; L550-F553 PolarHBondContact O-N 2.97Å
551Y75.8Confident74.8Confident125 Ų12575.7 Ų75.749%0.4937%0.372SS..G310 helixtrans-67-20.9177.570.1-101.2000113.3P549 F553P549-Y551 HydrophobicContact CB-CD1 3.44Å; P549-Y551 VanDerWaalsContact CB-CD1 3.44Å; P549-Y551 HydrophobicContact CB-CE1 3.13Å; P549-Y551 HydrophobicContact CB-CG 4.31Å; P549-Y551 HydrophobicContact CG-CD1 4.47Å; P549-Y551 HydrophobicContact CG-CE1 3.71Å; P549-Y551 PolarHBondContact O-N 3.24Å; P549-Y551 VanDerWaalsContact O-N 3.14Å; Y551-F553 VanDerWaalsContact C-N 3.27Å
552M68.7Low73.8Confident0 Ų071.8 Ų71.80%036%0.361CS..G310 helixtrans-81.5-10.5175-62.3-167.676.700111.8P549 L550 D554 Q555 F556 R585 V586 S591P549-M552 WeakPolarHBondContact O-CB 3.13Å; P549-M552 PolarHBondContact O-N 3.48Å; L550-M552 PolarHBondContact O-N 2.79Å; M552-D554 VanDerWaalsContact C-N 3.3Å; M552-D554 PolarHBondContact O-N 3.26Å; M552-Q555 CarbonylContact O-C 3.59Å; M552-Q555 WeakPolarHBondContact O-CA 3.32Å; M552-Q555 WeakPolarHBondContact O-CB 3.11Å; M552-Q555 PolarHBondContact O-N 3.24Å; M552-F556 HydrophobicContact CB-CD2 3.66Å; M552-F556 HydrophobicContact CB-CE2 3.36Å; M552-F556 HydrophobicContact CB-CZ 4.42Å; M552-F556 HydrophobicContact CE-CE2 4.4Å; M552-F556 HydrophobicContact CE-CZ 4.44Å; M552-F556 HydrophobicContact CG-CE2 4.37Å; M552-F556 WeakPolarHBondContact O-CD2 3.47Å; M552-F556 PolarHBondContact O-N 3.43Å; M552-F556 HydrophobicContact SD-CE2 4.24Å; M552-R585 VanDerWaalsContact CE-O 3.24Å; M552-R585 WeakPolarHBondContact CE-O 3.32Å; M552-V586 HydrophobicContact CE-CB 4.4Å; M552-V586 HydrophobicContact CE-CG2 4.11Å; M552-S591 PolarHBondContact SD-OG 3.19Å
553F71.9Confident72.2Confident127 Ų12770.7 Ų70.756%0.55736%0.357SS*.Hα-helixtrans-53.3-45.5-175.6-176.7-96.7000112.1L550 Y551 Q555 F556 V557L550-F553 WeakPolarHBondContact O-CB 3.45Å; L550-F553 PolarHBondContact O-N 2.97Å; Y551-F553 VanDerWaalsContact C-N 3.27Å; F553-Q555 VanDerWaalsContact C-N 3.28Å; F553-Q555 PolarHBondContact O-N 3.47Å; F553-F556 WeakPolarHBondContact O-CB 3.35Å; F553-F556 PolarHBondContact O-N 2.96Å; F553-F556 VanDerWaalsContact O-N 3.11Å; F553-V557 HydrophobicContact CD1-CG2 3.98Å; F553-V557 HydrophobicContact CE1-CG2 3.62Å; F553-V557 HydrophobicContact CE2-CG2 4.44Å; F553-V557 HydrophobicContact CZ-CG2 3.88Å; F553-V557 WeakPolarHBondContact O-CG2 3.37Å; F553-V557 PolarHBondContact O-N 2.94Å
554D73.7Confident70.8Confident124 Ų12474.7 Ų74.766%0.66338%0.384SS*.Hα-helixtrans-62.8-36.2178.5-64.5-30.7000112.2M552 V557 E558M552-D554 VanDerWaalsContact C-N 3.3Å; M552-D554 PolarHBondContact O-N 3.26Å; D554-V557 PolarHBondContact O-N 2.85Å; D554-E558 WeakPolarHBondContact O-CB 3.39Å; D554-E558 PolarHBondContact O-N 2.89Å
555Q69.4Low69.4Low54 Ų5476.2 Ų76.225%0.25240%0.399SS..Hα-helixtrans-70.1-38.7175.1-55179.620.200111.3M552 F553 V557 E558 C559M552-Q555 CarbonylContact O-C 3.59Å; M552-Q555 WeakPolarHBondContact O-CA 3.32Å; M552-Q555 WeakPolarHBondContact O-CB 3.11Å; M552-Q555 PolarHBondContact O-N 3.24Å; F553-Q555 VanDerWaalsContact C-N 3.28Å; F553-Q555 PolarHBondContact O-N 3.47Å; Q555-V557 VanDerWaalsContact C-N 3.34Å; Q555-E558 PolarHBondContact O-N 3.47Å; Q555-C559 VanDerWaalsContact O-CB 3.3Å; Q555-C559 WeakPolarHBondContact O-CB 3.45Å; Q555-C559 PolarHBondContact O-N 3.39Å; Q555-C559 PolarHBondContact O-SG 2.99Å
556F68.6Low68.1Low32 Ų3275.3 Ų75.314%0.1440%0.402CS..Hα-helixtrans-61.9-43.2173.7-75.7-74.3000110.5F548 M552 F553 A560 F576 F577 L580F548-F556 HydrophobicContact CB-CE2 3.79Å; F548-F556 HydrophobicContact CB-CZ 4.08Å; F548-F556 HydrophobicContact CD1-CE1 4.05Å; F548-F556 AromaticContact CD1-CE2 3.91Å; F548-F556 HydrophobicContact CD1-CE2 3.91Å; F548-F556 AromaticContact CD1-CZ 3.3Å; F548-F556 HydrophobicContact CD1-CZ 3.3Å; F548-F556 HydrophobicContact CE1-CE1 4.25Å; F548-F556 AromaticContact CE1-CZ 3.87Å; F548-F556 HydrophobicContact CE1-CZ 3.87Å; F548-F556 HydrophobicContact CG-CE1 4.49Å; F548-F556 HydrophobicContact CG-CE2 4.05Å; F548-F556 AromaticContact CG-CZ 3.81Å; F548-F556 HydrophobicContact CG-CZ 3.81Å; M552-F556 HydrophobicContact CB-CD2 3.66Å; M552-F556 HydrophobicContact CB-CE2 3.36Å; M552-F556 HydrophobicContact CB-CZ 4.42Å; M552-F556 HydrophobicContact CE-CE2 4.4Å; M552-F556 HydrophobicContact CE-CZ 4.44Å; M552-F556 HydrophobicContact CG-CE2 4.37Å; M552-F556 WeakPolarHBondContact O-CD2 3.47Å; M552-F556 PolarHBondContact O-N 3.43Å; M552-F556 HydrophobicContact SD-CE2 4.24Å; F553-F556 WeakPolarHBondContact O-CB 3.35Å; F553-F556 PolarHBondContact O-N 2.96Å; F553-F556 VanDerWaalsContact O-N 3.11Å; F556-A560 VanDerWaalsContact O-CB 3.29Å; F556-A560 WeakPolarHBondContact O-CB 3.41Å; F556-A560 PolarHBondContact O-N 2.99Å; F556-F576 HydrophobicContact CB-CZ 4.08Å; F556-F576 AromaticContact CD1-CE1 3.42Å; F556-F576 HydrophobicContact CD1-CE1 3.42Å; F556-F576 VanDerWaalsContact CD1-CE1 3.42Å; F556-F576 AromaticContact CD1-CZ 3.37Å; F556-F576 HydrophobicContact CD1-CZ 3.37Å; F556-F576 AromaticContact CE1-CE1 3.81Å; F556-F576 HydrophobicContact CE1-CE1 3.81Å; F556-F576 HydrophobicContact CE1-CZ 4.18Å; F556-F576 HydrophobicContact CG-CZ 4.18Å; F556-F576 VanDerWaalsContact O-CE2 3.31Å; F556-F576 WeakPolarHBondContact O-CE2 3.49Å; F556-F576 WeakPolarHBondContact O-CZ 3.42Å; F556-F577 HydrophobicContact CE1-CE1 4.24Å; F556-L580 HydrophobicContact CD1-CD1 3.71Å; F556-L580 HydrophobicContact CE1-CD1 3.24Å; F556-L580 HydrophobicContact CZ-CD1 4.02Å
557V73.3Confident66.7Low64 Ų6480.5 Ų80.539%0.38843%0.426SS..Hα-helixtrans-65.3-47.9176.21740000111F553 D554 Q555 C559 A560 C561F553-V557 HydrophobicContact CD1-CG2 3.98Å; F553-V557 HydrophobicContact CE1-CG2 3.62Å; F553-V557 HydrophobicContact CE2-CG2 4.44Å; F553-V557 HydrophobicContact CZ-CG2 3.88Å; F553-V557 WeakPolarHBondContact O-CG2 3.37Å; F553-V557 PolarHBondContact O-N 2.94Å; D554-V557 PolarHBondContact O-N 2.85Å; Q555-V557 VanDerWaalsContact C-N 3.34Å; V557-C559 PolarHBondContact O-N 3.42Å; V557-A560 PolarHBondContact O-N 3.2Å; V557-A560 VanDerWaalsContact O-N 3.14Å; V557-C561 PolarHBondContact O-N 3.35Å; V557-C561 PolarHBondContact O-SG 2.87Å
558E71.3Confident65.4Low84 Ų8485.3 Ų85.339%0.39345%0.448SS..Hα-helixtrans-59.7-45.8179.3-166.9-161.2178.700111.7D554 Q555 A560 C561 K562 R585D554-E558 WeakPolarHBondContact O-CB 3.39Å; D554-E558 PolarHBondContact O-N 2.89Å; Q555-E558 PolarHBondContact O-N 3.47Å; E558-A560 VanDerWaalsContact C-N 3.32Å; E558-A560 PolarHBondContact O-N 3.3Å; E558-C561 PolarHBondContact O-N 3.19Å; E558-K562 WeakPolarHBondContact O-CG 3.31Å; E558-K562 PolarHBondContact O-N 3.38Å; E558-K562 WeakPolarHBondContact OE1-CE 3.39Å; E558-K562 IonicContact OE1-NZ 3.51Å; E558-K562 PolarHBondContact OE1-NZ 3.46Å; E558-R585 IonicContact OE2-NH1 3.85Å; E558-R585 PolarHBondContact OE2-NH1 3.07Å; E558-R585 VanDerWaalsContact OE2-NH1 3.15Å
559C65.7Low64.3Low10 Ų1087.8 Ų87.87%0.06846%0.46CS..Hα-helixtrans-66.7-34.4177.3-76.90000111.5Q555 V557 K562 F576Q555-C559 VanDerWaalsContact O-CB 3.3Å; Q555-C559 WeakPolarHBondContact O-CB 3.45Å; Q555-C559 PolarHBondContact O-N 3.39Å; Q555-C559 PolarHBondContact O-SG 2.99Å; V557-C559 PolarHBondContact O-N 3.42Å; C559-K562 PolarHBondContact O-N 2.89Å; C559-F576 HydrophobicContact CB-CD2 3.46Å; C559-F576 VanDerWaalsContact CB-CD2 3.46Å; C559-F576 HydrophobicContact CB-CE2 3.1Å; C559-F576 HydrophobicContact CB-CZ 4.07Å
560A66.8Low63.4Low56 Ų5689.5 Ų89.546%0.46347%0.473SS..Hα-helixtrans-68.1-37176.600000111.5F556 V557 E558 K562 L563 F576F556-A560 VanDerWaalsContact O-CB 3.29Å; F556-A560 WeakPolarHBondContact O-CB 3.41Å; F556-A560 PolarHBondContact O-N 2.99Å; V557-A560 PolarHBondContact O-N 3.2Å; V557-A560 VanDerWaalsContact O-N 3.14Å; E558-A560 VanDerWaalsContact C-N 3.32Å; E558-A560 PolarHBondContact O-N 3.3Å; A560-K562 VanDerWaalsContact C-N 3.27Å; A560-K562 PolarHBondContact O-N 3.37Å; A560-L563 PolarHBondContact O-N 3.45Å; A560-F576 HydrophobicContact CB-CE2 4.33Å
561C69.9Low62.5Low106 Ų10686.1 Ų86.172%0.71646%0.455SS*.Hα-helixtrans-67.3-23.2175.3-67.80000113.8V557 E558V557-C561 PolarHBondContact O-N 3.35Å; V557-C561 PolarHBondContact O-SG 2.87Å; E558-C561 PolarHBondContact O-N 3.19Å
562K65.8Low61.6Low112 Ų11281 Ų8149%0.48744%0.437SS..THydrogen-bonded Turntrans-91.3-5.2-179-70.6178.5-173171.90114.2E558 C559 A560E558-K562 WeakPolarHBondContact O-CG 3.31Å; E558-K562 PolarHBondContact O-N 3.38Å; E558-K562 WeakPolarHBondContact OE1-CE 3.39Å; E558-K562 IonicContact OE1-NZ 3.51Å; E558-K562 PolarHBondContact OE1-NZ 3.46Å; C559-K562 PolarHBondContact O-N 2.89Å; A560-K562 VanDerWaalsContact C-N 3.27Å; A560-K562 PolarHBondContact O-N 3.37Å
563L57.7Low61.3Low36 Ų3682.4 Ų82.419%0.18845%0.447CS..SBendtrans-76.6123.9177.5-70.5164.4000109.2A560 M565 C572 F576A560-L563 PolarHBondContact O-N 3.45Å; L563-M565 PolarHBondContact O-N 2.9Å; L563-C572 HydrophobicContact CB-CB 4.34Å; L563-C572 HydrophobicContact CD1-CB 4.13Å; L563-C572 HydrophobicContact CD2-CB 4.11Å; L563-C572 VanDerWaalsContact CD2-O 3.31Å; L563-C572 WeakPolarHBondContact CD2-O 3.45Å; L563-C572 HydrophobicContact CG-CB 4.42Å; L563-F576 HydrophobicContact CD1-CB 4.01Å; L563-F576 HydrophobicContact CD1-CD2 3.96Å; L563-F576 HydrophobicContact CD1-CG 4.37Å; L563-F576 HydrophobicContact CD2-CB 4.48Å
564P54.8Low60.9Low98 Ų9877.5 Ų77.564%0.63643%0.427SS*.  trans-60.8123.4170.424.6-29.9000107.8S566 C572P564-S566 PolarHBondContact O-N 3.17Å; P564-C572 PolarHBondContact O-SG 3.14Å
565M51.3Low60.4Low178 Ų17876 Ų7688%0.87742%0.419SS*.  trans-68.869.8174-67.5-78.3-72.800109.2L563L563-M565 PolarHBondContact O-N 2.9Å
566S49.5Very low60.4Low62 Ų6274.4 Ų74.443%0.43441%0.411SS..  trans-85.314916464.90000108.5P564 Q568P564-S566 PolarHBondContact O-N 3.17Å; S566-Q568 PolarHBondContact O-N 3.07Å
567N47.7Very low60.4Low177 Ų17773.8 Ų73.895%0.94741%0.408SS*.SBendtrans-62.39.3-177.4-78.1-18.2000114.8
568Q51.1Low60.1Low120 Ų12071.9 Ų71.956%0.56140%0.396SS*.  trans-109.279.2172.9-75172.9-25.600109.8S566 S570 D571 C572S566-Q568 PolarHBondContact O-N 3.07Å; Q568-S570 PolarHBondContact O-N 3.32Å; Q568-D571 PolarHBondContact O-N 2.71Å; Q568-C572 PolarHBondContact O-N 3.4Å
569Q52.4Low59.8Low119 Ų11974 Ų7456%0.55640%0.4SS*.Hα-helixtrans-64.6-24.9-178-132.316113.200113.4S573 V609Q569-S573 PolarHBondContact O-N 2.81Å; Q569-S573 PolarHBondContact O-OG 3.26Å; Q569-V609 HydrophobicContact CB-CG1 4.03Å; Q569-V609 HydrophobicContact CB-CG2 4.34Å; Q569-V609 HydrophobicContact CG-CG1 4.17Å
570S51.9Low59.8Low47 Ų4773.5 Ų73.533%0.32940%0.397SS..Hα-helixtrans-64.5-45.7175.550.60000112.1Q568 S573 L574Q568-S570 PolarHBondContact O-N 3.32Å; S570-S573 PolarHBondContact O-N 3.11Å; S570-L574 PolarHBondContact O-N 3.06Å
571D55.9Low59.8Low78 Ų7875.8 Ų75.842%0.41739%0.393SS..Hα-helixtrans-70-36.5-179.3-80.2-4.4000111.5Q568 L574 N575Q568-D571 PolarHBondContact O-N 2.71Å; D571-L574 PolarHBondContact O-N 3.41Å; D571-N575 VanDerWaalsContact O-CB 3.25Å; D571-N575 WeakPolarHBondContact O-CB 3.29Å; D571-N575 PolarHBondContact O-N 3.49Å; D571-N575 PolarHBondContact O-ND2 2.98Å
572C57.2Low59.6Low16 Ų1676 Ų7611%0.10839%0.387CS..Hα-helixtrans-62.2-45.5175.3-690000111.4L563 P564 Q568 F576L563-C572 HydrophobicContact CB-CB 4.34Å; L563-C572 HydrophobicContact CD1-CB 4.13Å; L563-C572 HydrophobicContact CD2-CB 4.11Å; L563-C572 VanDerWaalsContact CD2-O 3.31Å; L563-C572 WeakPolarHBondContact CD2-O 3.45Å; L563-C572 HydrophobicContact CG-CB 4.42Å; P564-C572 PolarHBondContact O-SG 3.14Å; Q568-C572 PolarHBondContact O-N 3.4Å; C572-F576 VanDerWaalsContact O-CB 3.27Å; C572-F576 WeakPolarHBondContact O-CB 3.48Å; C572-F576 PolarHBondContact O-N 3.46Å
573S61.4Low59.4Low30 Ų3074.3 Ų74.321%0.2138%0.381CS..Hα-helixtrans-68-40.6179.4-55.70000111.8Q569 S570 F576 F577Q569-S573 PolarHBondContact O-N 2.81Å; Q569-S573 PolarHBondContact O-OG 3.26Å; S570-S573 PolarHBondContact O-N 3.11Å; S573-F576 WeakPolarHBondContact O-CB 3.4Å; S573-F576 PolarHBondContact O-N 3.05Å; S573-F577 WeakPolarHBondContact O-CD2 3.49Å; S573-F577 PolarHBondContact O-N 3.29Å; S573-F577 VanDerWaalsContact O-N 3.15Å
574L62.6Low59.4Low25 Ų2573.9 Ų73.913%0.13139%0.385CS..Hα-helixtrans-64.5-47.9177.6-178.758.3000110.7S570 D571 F576 F577 L578 A599 L602 R603S570-L574 PolarHBondContact O-N 3.06Å; D571-L574 PolarHBondContact O-N 3.41Å; L574-F576 PolarHBondContact O-N 3.4Å; L574-F577 PolarHBondContact O-N 2.96Å; L574-L578 HydrophobicContact CD1-CD1 3.93Å; L574-L578 HydrophobicContact CD1-CG 3.97Å; L574-L578 HydrophobicContact CD2-CD1 4.34Å; L574-L578 HydrophobicContact CG-CD1 3.74Å; L574-L578 HydrophobicContact CG-CG 4.21Å; L574-L578 WeakPolarHBondContact O-CB 3.45Å; L574-L578 VanDerWaalsContact O-CG 3.24Å; L574-L578 WeakPolarHBondContact O-CG 3.37Å; L574-L578 PolarHBondContact O-N 3.36Å; L574-A599 HydrophobicContact CD1-CB 4.01Å; L574-A599 WeakPolarHBondContact CD1-O 3.49Å; L574-L602 HydrophobicContact CB-CB 3.91Å; L574-L602 HydrophobicContact CD1-CB 3.73Å; L574-L602 HydrophobicContact CG-CB 4.33Å; L574-R603 HydrophobicContact CD1-CG 3.78Å; L574-R603 HydrophobicContact CD2-CG 3.74Å; L574-R603 HydrophobicContact CG-CG 4.43Å
575N63.9Low59.6Low92 Ų9272.4 Ų72.449%0.49237%0.367SS..Hα-helixtrans-60.2-32.7176.6-80-51.4000112.1D571 R579D571-N575 VanDerWaalsContact O-CB 3.25Å; D571-N575 WeakPolarHBondContact O-CB 3.29Å; D571-N575 PolarHBondContact O-N 3.49Å; D571-N575 PolarHBondContact O-ND2 2.98Å; N575-R579 VanDerWaalsContact O-CB 3.24Å; N575-R579 WeakPolarHBondContact O-CB 3.38Å; N575-R579 PolarHBondContact O-N 3.42Å
576F68.9Low60Low21 Ų2164 Ų649%0.09233%0.326CS..Hα-helixtrans-63.8-52.8175.5176.6-91.9000112.8F556 C559 A560 L563 C572 S573 L574 R579 L580F556-F576 HydrophobicContact CB-CZ 4.08Å; F556-F576 AromaticContact CD1-CE1 3.42Å; F556-F576 HydrophobicContact CD1-CE1 3.42Å; F556-F576 VanDerWaalsContact CD1-CE1 3.42Å; F556-F576 AromaticContact CD1-CZ 3.37Å; F556-F576 HydrophobicContact CD1-CZ 3.37Å; F556-F576 AromaticContact CE1-CE1 3.81Å; F556-F576 HydrophobicContact CE1-CE1 3.81Å; F556-F576 HydrophobicContact CE1-CZ 4.18Å; F556-F576 HydrophobicContact CG-CZ 4.18Å; F556-F576 VanDerWaalsContact O-CE2 3.31Å; F556-F576 WeakPolarHBondContact O-CE2 3.49Å; F556-F576 WeakPolarHBondContact O-CZ 3.42Å; C559-F576 HydrophobicContact CB-CD2 3.46Å; C559-F576 VanDerWaalsContact CB-CD2 3.46Å; C559-F576 HydrophobicContact CB-CE2 3.1Å; C559-F576 HydrophobicContact CB-CZ 4.07Å; A560-F576 HydrophobicContact CB-CE2 4.33Å; L563-F576 HydrophobicContact CD1-CB 4.01Å; L563-F576 HydrophobicContact CD1-CD2 3.96Å; L563-F576 HydrophobicContact CD1-CG 4.37Å; L563-F576 HydrophobicContact CD2-CB 4.48Å; C572-F576 VanDerWaalsContact O-CB 3.27Å; C572-F576 WeakPolarHBondContact O-CB 3.48Å; C572-F576 PolarHBondContact O-N 3.46Å; S573-F576 WeakPolarHBondContact O-CB 3.4Å; S573-F576 PolarHBondContact O-N 3.05Å; L574-F576 PolarHBondContact O-N 3.4Å; F576-R579 PolarHBondContact O-N 2.98Å; F576-L580 HydrophobicContact CD1-CD1 3.88Å; F576-L580 HydrophobicContact CE1-CD1 3.44Å; F576-L580 VanDerWaalsContact CE1-CD1 3.44Å; F576-L580 HydrophobicContact CZ-CD1 3.85Å; F576-L580 WeakPolarHBondContact O-CG 3.36Å; F576-L580 PolarHBondContact O-N 3.38Å
577F68.8Low60.3Low19 Ų1963.3 Ų63.38%0.08332%0.321CS..Hα-helixtrans-70-33.8178.6-71.4-72.3000112.3F548 F556 S573 L574 R581 C595 A598 A599 L602 L608F548-F577 AromaticContact CE1-CE1 3.98Å; F548-F577 HydrophobicContact CE1-CE1 3.98Å; F548-F577 HydrophobicContact CE2-CE1 4.37Å; F548-F577 HydrophobicContact CZ-CD1 4.45Å; F548-F577 AromaticContact CZ-CE1 3.58Å; F548-F577 HydrophobicContact CZ-CE1 3.58Å; F548-F577 HydrophobicContact CZ-CZ 4.27Å; F556-F577 HydrophobicContact CE1-CE1 4.24Å; S573-F577 WeakPolarHBondContact O-CD2 3.49Å; S573-F577 PolarHBondContact O-N 3.29Å; S573-F577 VanDerWaalsContact O-N 3.15Å; L574-F577 PolarHBondContact O-N 2.96Å; F577-R581 WeakPolarHBondContact O-CB 3.49Å; F577-R581 PolarHBondContact O-N 2.91Å; F577-C595 HydrophobicContact CD1-CB 4.31Å; F577-A598 HydrophobicContact CB-CB 4.44Å; F577-A598 HydrophobicContact CD1-CB 3.75Å; F577-A598 HydrophobicContact CD2-CB 3.69Å; F577-A598 HydrophobicContact CE1-CB 3.82Å; F577-A598 HydrophobicContact CE2-CB 3.76Å; F577-A598 HydrophobicContact CG-CB 3.69Å; F577-A598 HydrophobicContact CZ-CB 3.82Å; F577-A599 HydrophobicContact CB-CB 4.37Å; F577-L602 HydrophobicContact CD2-CD1 3.41Å; F577-L602 VanDerWaalsContact CD2-CD1 3.41Å; F577-L602 HydrophobicContact CE2-CD1 3.8Å; F577-L608 HydrophobicContact CE2-CD1 4.42Å
578L67.8Low61.2Low23 Ų2355.9 Ų55.912%0.1228%0.281CS..Hα-helixtrans-65.8-42.1172.5-69.1178.4000111.4L574 R581 D582 A599L574-L578 HydrophobicContact CD1-CD1 3.93Å; L574-L578 HydrophobicContact CD1-CG 3.97Å; L574-L578 HydrophobicContact CD2-CD1 4.34Å; L574-L578 HydrophobicContact CG-CD1 3.74Å; L574-L578 HydrophobicContact CG-CG 4.21Å; L574-L578 WeakPolarHBondContact O-CB 3.45Å; L574-L578 VanDerWaalsContact O-CG 3.24Å; L574-L578 WeakPolarHBondContact O-CG 3.37Å; L574-L578 PolarHBondContact O-N 3.36Å; L578-R581 WeakPolarHBondContact O-CB 3.36Å; L578-R581 PolarHBondContact O-N 2.86Å; L578-D582 VanDerWaalsContact O-CB 3.27Å; L578-D582 WeakPolarHBondContact O-CB 3.3Å; L578-D582 PolarHBondContact O-N 2.89Å; L578-A599 HydrophobicContact CD2-CB 4Å; L578-A599 HydrophobicContact CG-CB 4.5Å
579R65.8Low61.9Low129 Ų12953.3 Ų53.349%0.48727%0.269SS..Hα-helixtrans-61.8-47.2173.1-100.6-172.4-179.3159.32.1111.9N575 F576 R581 D582 E583N575-R579 VanDerWaalsContact O-CB 3.24Å; N575-R579 WeakPolarHBondContact O-CB 3.38Å; N575-R579 PolarHBondContact O-N 3.42Å; F576-R579 PolarHBondContact O-N 2.98Å; R579-R581 PolarHBondContact O-N 3.41Å; R579-D582 PolarHBondContact O-N 3.27Å; R579-E583 WeakPolarHBondContact CD-OE1 3.44Å; R579-E583 IonicContact NE-OE1 2.62Å; R579-E583 WeakPolarHBondContact O-CB 3.39Å; R579-E583 VanDerWaalsContact O-CG 3.27Å; R579-E583 WeakPolarHBondContact O-CG 3.36Å; R579-E583 PolarHBondContact O-N 3.41Å
580L65.3Low62.5Low0 Ų047.7 Ų47.70%024%0.243CC..Hα-helixtrans-57.6-41178.3-76.5172.6000111.2F556 F576 R585 V586F556-L580 HydrophobicContact CD1-CD1 3.71Å; F556-L580 HydrophobicContact CE1-CD1 3.24Å; F556-L580 HydrophobicContact CZ-CD1 4.02Å; F576-L580 HydrophobicContact CD1-CD1 3.88Å; F576-L580 HydrophobicContact CE1-CD1 3.44Å; F576-L580 VanDerWaalsContact CE1-CD1 3.44Å; F576-L580 HydrophobicContact CZ-CD1 3.85Å; F576-L580 WeakPolarHBondContact O-CG 3.36Å; F576-L580 PolarHBondContact O-N 3.38Å; L580-R585 HydrophobicContact CD2-CB 4.21Å; L580-R585 PolarHBondContact O-N 2.86Å; L580-V586 HydrophobicContact CB-CG2 3.8Å; L580-V586 WeakPolarHBondContact O-CG2 3.25Å
581R65.7Low63.3Low103 Ų10345.5 Ų45.539%0.38923%0.227SC..Hα-helixtrans-65.6-51.2174.5-172.7-166.771.1175.42.9112.4F577 L578 R579 G584F577-R581 WeakPolarHBondContact O-CB 3.49Å; F577-R581 PolarHBondContact O-N 2.91Å; L578-R581 WeakPolarHBondContact O-CB 3.36Å; L578-R581 PolarHBondContact O-N 2.86Å; R579-R581 PolarHBondContact O-N 3.41Å; R581-G584 PolarHBondContact O-N 2.93Å
582D65.9Low63.8Low111 Ų11144.5 Ų44.559%0.59422%0.218SC*.Hα-helixtrans-76-30.1-170.7-66.2-8.1000112.1L578 R579 G584L578-D582 VanDerWaalsContact O-CB 3.27Å; L578-D582 WeakPolarHBondContact O-CB 3.3Å; L578-D582 PolarHBondContact O-N 2.89Å; R579-D582 PolarHBondContact O-N 3.27Å; D582-G584 PolarHBondContact O-N 3.45Å
583E62.6Low64.3Low77 Ų7743.8 Ų43.836%0.3621%0.212SC..THydrogen-bonded Turntrans-79.11174.3-65.4-179.8-174.700112.9R579 R585R579-E583 WeakPolarHBondContact CD-OE1 3.44Å; R579-E583 IonicContact NE-OE1 2.62Å; R579-E583 WeakPolarHBondContact O-CB 3.39Å; R579-E583 VanDerWaalsContact O-CG 3.27Å; R579-E583 WeakPolarHBondContact O-CG 3.36Å; R579-E583 PolarHBondContact O-N 3.41Å; E583-R585 HydrophobicContact CB-CG 4Å; E583-R585 PolarHBondContact O-N 3.3Å; E583-R585 VanDerWaalsContact O-N 3.09Å; E583-R585 IonicContact OE2-CZ 2.73Å; E583-R585 IonicContact OE2-NE 3.88Å; E583-R585 PolarHBondContact OE2-NE 3.39Å; E583-R585 IonicContact OE2-NH2 3.3Å; E583-R585 PolarHBondContact OE2-NH2 3.12Å
584G57.5Low64.7Low26 Ų2642.4 Ų42.427%0.26820%0.203SC..THydrogen-bonded Turntrans65.212.8177.900000114.2R581 D582 V586R581-G584 PolarHBondContact O-N 2.93Å; D582-G584 PolarHBondContact O-N 3.45Å; G584-V586 PolarHBondContact O-N 3.19Å
585R59.4Low65Low67 Ų6741.3 Ų41.325%0.25320%0.197SC..  trans-70.1-12.8-179.1-63.7-161.5-155.6-158.77.1113.2M552 E558 L580 E583 C587M552-R585 VanDerWaalsContact CE-O 3.24Å; M552-R585 WeakPolarHBondContact CE-O 3.32Å; E558-R585 IonicContact OE2-NH1 3.85Å; E558-R585 PolarHBondContact OE2-NH1 3.07Å; E558-R585 VanDerWaalsContact OE2-NH1 3.15Å; L580-R585 HydrophobicContact CD2-CB 4.21Å; L580-R585 PolarHBondContact O-N 2.86Å; E583-R585 HydrophobicContact CB-CG 4Å; E583-R585 PolarHBondContact O-N 3.3Å; E583-R585 VanDerWaalsContact O-N 3.09Å; E583-R585 IonicContact OE2-CZ 2.73Å; E583-R585 IonicContact OE2-NE 3.88Å; E583-R585 PolarHBondContact OE2-NE 3.39Å; E583-R585 IonicContact OE2-NH2 3.3Å; E583-R585 PolarHBondContact OE2-NH2 3.12Å; R585-C587 PolarHBondContact O-N 3.18Å; R585-C587 PolarHBondContact O-SG 2.99Å; R585-C587 VanDerWaalsContact O-SG 3.38Å
586V59.5Low65.2Low3 Ų340 Ų402%0.01819%0.188CC..  trans-93.196.1-179.1-170.50000110M552 L580 G584 S591 R592 C595M552-V586 HydrophobicContact CE-CB 4.4Å; M552-V586 HydrophobicContact CE-CG2 4.11Å; L580-V586 HydrophobicContact CB-CG2 3.8Å; L580-V586 WeakPolarHBondContact O-CG2 3.25Å; G584-V586 PolarHBondContact O-N 3.19Å; V586-S591 WeakPolarHBondContact CG1-O 3.4Å; V586-R592 HydrophobicContact CB-CG 4.2Å; V586-R592 HydrophobicContact CG1-CB 4.29Å; V586-R592 HydrophobicContact CG1-CG 3.72Å; V586-R592 PolarHBondContact O-NE 3.1Å; V586-C595 VanDerWaalsContact CG2-SG 3.59Å
587C55.8Low65Low47 Ų4739.4 Ų39.432%0.31819%0.187SC..  trans-83-34.3-167-470000114N317 R585N317-C587 PolarHBondContact ND2-O 3.38Å; R585-C587 PolarHBondContact O-N 3.18Å; R585-C587 PolarHBondContact O-SG 2.99Å; R585-C587 VanDerWaalsContact O-SG 3.38Å
588N65.3Low64.9Low20 Ų2038.7 Ų38.711%0.10719%0.185CC..SBendtrans-104.8155.9-17876.32.1000112.8P549 S590 S591 R592P549-N588 VanDerWaalsContact CG-ND2 3.29Å; P549-N588 WeakPolarHBondContact CG-ND2 3.41Å; N588-S590 VanDerWaalsContact C-N 3.27Å; N588-S590 PolarHBondContact O-N 2.72Å; N588-S591 PolarHBondContact O-N 2.78Å; N588-S591 WeakPolarHBondContact OD1-CB 3.04Å; N588-S591 PolarHBondContact OD1-N 3.41Å; N588-S591 PolarHBondContact OD1-OG 3.08Å; N588-R592 PolarHBondContact O-N 3.35Å; N588-R592 VanDerWaalsContact O-N 3.12Å
589Q65.3Low64.8Low67 Ų6737.9 Ų37.931%0.31318%0.181SC..Hα-helixtrans-64.4-37.4-175.7-16970.25.500110.5E465 S591 R592 I593E465-Q589 HydrophobicContact CG-CB 3.71Å; Q589-S591 PolarHBondContact O-N 3.22Å; Q589-R592 WeakPolarHBondContact O-CB 3.5Å; Q589-R592 PolarHBondContact O-N 2.83Å; Q589-R592 VanDerWaalsContact O-N 3.14Å; Q589-I593 HydrophobicContact CG-CD1 3.92Å; Q589-I593 HydrophobicContact CG-CG1 4.48Å; Q589-I593 WeakPolarHBondContact O-CG1 3.46Å; Q589-I593 PolarHBondContact O-N 3.25Å
590S66.6Low64.5Low1 Ų134 Ų341%0.00718%0.177CC..Hα-helixtrans-54.5-49.4176.9-60.80000112.2E465 L547 N588 R592 I593 G594E465-S590 PolarHBondContact OE1-OG 3.43Å; L547-S590 WeakPolarHBondContact CD1-O 3.5Å; N588-S590 VanDerWaalsContact C-N 3.27Å; N588-S590 PolarHBondContact O-N 2.72Å; S590-R592 PolarHBondContact O-N 3.3Å; S590-I593 PolarHBondContact O-N 3.34Å; S590-G594 PolarHBondContact O-N 2.88Å
591S67.4Low64.2Low0 Ų035 Ų350%018%0.181CC..Hα-helixtrans-71.8-29.9179.2-54.80000112.5L547 P549 M552 V586 N588 Q589 G594 C595L547-S591 VanDerWaalsContact O-CA 3.31Å; L547-S591 WeakPolarHBondContact O-CA 3.3Å; L547-S591 PolarHBondContact O-OG 3.09Å; P549-S591 WeakPolarHBondContact CD-OG 3.5Å; M552-S591 PolarHBondContact SD-OG 3.19Å; V586-S591 WeakPolarHBondContact CG1-O 3.4Å; N588-S591 PolarHBondContact O-N 2.78Å; N588-S591 WeakPolarHBondContact OD1-CB 3.04Å; N588-S591 PolarHBondContact OD1-N 3.41Å; N588-S591 PolarHBondContact OD1-OG 3.08Å; Q589-S591 PolarHBondContact O-N 3.22Å; S591-G594 CarbonylContact O-C 3.46Å; S591-G594 PolarHBondContact O-N 2.88Å; S591-C595 WeakPolarHBondContact O-CB 3.44Å; S591-C595 PolarHBondContact O-N 2.65Å; S591-C595 PolarHBondContact O-SG 2.94Å
592R67.3Low63.9Low58 Ų5830.7 Ų30.722%0.21917%0.166CC..Hα-helixtrans-65.9-45.8173.5-87.7-178.4-166.5-168.9-4.6111.3C319 V586 N588 Q589 S590 G594 C595 Q596C319-R592 VanDerWaalsContact CB-NH1 3.29Å; C319-R592 PolarHBondContact SG-NH1 3.36Å; V586-R592 HydrophobicContact CB-CG 4.2Å; V586-R592 HydrophobicContact CG1-CB 4.29Å; V586-R592 HydrophobicContact CG1-CG 3.72Å; V586-R592 PolarHBondContact O-NE 3.1Å; N588-R592 PolarHBondContact O-N 3.35Å; N588-R592 VanDerWaalsContact O-N 3.12Å; Q589-R592 WeakPolarHBondContact O-CB 3.5Å; Q589-R592 PolarHBondContact O-N 2.83Å; Q589-R592 VanDerWaalsContact O-N 3.14Å; S590-R592 PolarHBondContact O-N 3.3Å; R592-G594 PolarHBondContact O-N 2.83Å; R592-C595 CarbonylContact O-C 3.5Å; R592-C595 PolarHBondContact O-N 3.42Å; R592-Q596 VanDerWaalsContact O-CB 3.31Å; R592-Q596 WeakPolarHBondContact O-CB 3.37Å; R592-Q596 VanDerWaalsContact O-CG 3.3Å; R592-Q596 WeakPolarHBondContact O-CG 3.38Å; R592-Q596 PolarHBondContact O-N 3.21Å
593I67.7Low63.5Low0 Ų032.6 Ų32.60%017%0.165CC..Hα-helixtrans-62.2-41.1174.3-65.7165.2000108.8L464 V468 E474 I475 Q589 S590 C595 Q596 T597L464-I593 HydrophobicContact CD1-CD1 4.47Å; L464-I593 HydrophobicContact CD2-CB 3.79Å; L464-I593 HydrophobicContact CD2-CD1 3.72Å; L464-I593 HydrophobicContact CD2-CG1 4.37Å; L464-I593 HydrophobicContact CD2-CG2 3.75Å; L464-I593 HydrophobicContact CG-CD1 3.8Å; V468-I593 HydrophobicContact CG2-CD1 3.42Å; V468-I593 VanDerWaalsContact CG2-CD1 3.42Å; E474-I593 WeakPolarHBondContact O-CD1 3.21Å; E474-I593 VanDerWaalsContact O-CG1 3.28Å; E474-I593 WeakPolarHBondContact O-CG1 3.33Å; I475-I593 HydrophobicContact CG1-CG2 4.42Å; Q589-I593 HydrophobicContact CG-CD1 3.92Å; Q589-I593 HydrophobicContact CG-CG1 4.48Å; Q589-I593 WeakPolarHBondContact O-CG1 3.46Å; Q589-I593 PolarHBondContact O-N 3.25Å; S590-I593 PolarHBondContact O-N 3.34Å; I593-C595 PolarHBondContact O-N 3.33Å; I593-Q596 PolarHBondContact O-N 3.36Å; I593-T597 WeakPolarHBondContact O-CB 3.48Å; I593-T597 PolarHBondContact O-N 2.77Å; I593-T597 PolarHBondContact O-OG1 3.33Å
594G70.2Confident63.2Low2 Ų237.5 Ų37.52%0.02118%0.18CC..Hα-helixtrans-55.4-50.1171.700000113.1S590 S591 R592 T597 A598S590-G594 PolarHBondContact O-N 2.88Å; S591-G594 CarbonylContact O-C 3.46Å; S591-G594 PolarHBondContact O-N 2.88Å; R592-G594 PolarHBondContact O-N 2.83Å; G594-T597 PolarHBondContact O-N 3.1Å; G594-A598 WeakPolarHBondContact O-CB 3.1Å; G594-A598 PolarHBondContact O-N 3.32Å
595C68.8Low62.8Low1 Ų141.7 Ų41.71%0.00720%0.196CC..Hα-helixtrans-69-38.4178.5-66.30000112.7F577 V586 S591 R592 I593 A599F577-C595 HydrophobicContact CD1-CB 4.31Å; V586-C595 VanDerWaalsContact CG2-SG 3.59Å; S591-C595 WeakPolarHBondContact O-CB 3.44Å; S591-C595 PolarHBondContact O-N 2.65Å; S591-C595 PolarHBondContact O-SG 2.94Å; R592-C595 CarbonylContact O-C 3.5Å; R592-C595 PolarHBondContact O-N 3.42Å; I593-C595 PolarHBondContact O-N 3.33Å; C595-A599 WeakPolarHBondContact O-CB 3.24Å; C595-A599 PolarHBondContact O-N 2.91Å
596Q67.1Low62.2Low64 Ų6441.6 Ų41.630%0.29921%0.209SC..Hα-helixtrans-66.1-44.4175.5-78.8177-18.400110.8R592 I593 A599 A600R592-Q596 VanDerWaalsContact O-CB 3.31Å; R592-Q596 WeakPolarHBondContact O-CB 3.37Å; R592-Q596 VanDerWaalsContact O-CG 3.3Å; R592-Q596 WeakPolarHBondContact O-CG 3.38Å; R592-Q596 PolarHBondContact O-N 3.21Å; I593-Q596 PolarHBondContact O-N 3.36Å; Q596-A599 PolarHBondContact O-N 3.08Å; Q596-A600 WeakPolarHBondContact O-CB 3.36Å; Q596-A600 PolarHBondContact O-N 3.17Å
597T65.9Low61.6Low9 Ų942.4 Ų42.46%0.05521%0.214CC..Hα-helixtrans-64-47.7177.2-58.40000109.7I479 I483 I593 G594 A600 H601I479-T597 HydrophobicContact CG2-CG2 3.65Å; I483-T597 HydrophobicContact CD1-CG2 3.18Å; I593-T597 WeakPolarHBondContact O-CB 3.48Å; I593-T597 PolarHBondContact O-N 2.77Å; I593-T597 PolarHBondContact O-OG1 3.33Å; G594-T597 PolarHBondContact O-N 3.1Å; T597-A600 PolarHBondContact O-N 2.81Å; T597-H601 WeakPolarHBondContact O-CB 3.34Å; T597-H601 PolarHBondContact O-CD2 3.12Å; T597-H601 PolarHBondContact O-N 3.28Å
598A66.5Low60.9Low5 Ų542.2 Ų42.24%0.04121%0.209CC..Hα-helixtrans-61.9-45.417600000112.3F577 G594 H601 L602 L608F577-A598 HydrophobicContact CB-CB 4.44Å; F577-A598 HydrophobicContact CD1-CB 3.75Å; F577-A598 HydrophobicContact CD2-CB 3.69Å; F577-A598 HydrophobicContact CE1-CB 3.82Å; F577-A598 HydrophobicContact CE2-CB 3.76Å; F577-A598 HydrophobicContact CG-CB 3.69Å; F577-A598 HydrophobicContact CZ-CB 3.82Å; G594-A598 WeakPolarHBondContact O-CB 3.1Å; G594-A598 PolarHBondContact O-N 3.32Å; A598-H601 PolarHBondContact O-N 3.43Å; A598-L602 VanDerWaalsContact O-CB 3.28Å; A598-L602 WeakPolarHBondContact O-CB 3.4Å; A598-L602 WeakPolarHBondContact O-CD1 3.37Å; A598-L602 WeakPolarHBondContact O-CG 3.31Å; A598-L602 PolarHBondContact O-N 3.09Å; A598-L608 HydrophobicContact CB-CD1 3.56Å
599A64.8Low59.8Low5 Ų543.5 Ų43.54%0.04122%0.218CC..Hα-helixtrans-69.3-39.4178.700000112.4L574 F577 L578 C595 Q596 H601 L602 R603L574-A599 HydrophobicContact CD1-CB 4.01Å; L574-A599 WeakPolarHBondContact CD1-O 3.49Å; F577-A599 HydrophobicContact CB-CB 4.37Å; L578-A599 HydrophobicContact CD2-CB 4Å; L578-A599 HydrophobicContact CG-CB 4.5Å; C595-A599 WeakPolarHBondContact O-CB 3.24Å; C595-A599 PolarHBondContact O-N 2.91Å; Q596-A599 PolarHBondContact O-N 3.08Å; A599-H601 VanDerWaalsContact C-N 3.29Å; A599-H601 PolarHBondContact O-N 2.79Å; A599-L602 PolarHBondContact O-N 2.95Å; A599-R603 WeakPolarHBondContact O-CB 3.44Å; A599-R603 VanDerWaalsContact O-CG 3.29Å; A599-R603 WeakPolarHBondContact O-CG 3.37Å; A599-R603 PolarHBondContact O-N 3.4Å
600A60Low58.5Low49 Ų4950.5 Ų50.541%0.40524%0.241SC..Hα-helixtrans-63.9-37.8175.900000111.4Q596 T597Q596-A600 WeakPolarHBondContact O-CB 3.36Å; Q596-A600 PolarHBondContact O-N 3.17Å; T597-A600 PolarHBondContact O-N 2.81Å
601H59.5Low57.2Low21 Ų2155.2 Ų55.210%0.09727%0.266CS..Hα-helixtrans-68.6-47.6172-87.8-65.3000113.6I483 T597 A598 A599 R603 R604 D605I483-H601 VanDerWaalsContact CB-CE1 3.48Å; I483-H601 WeakPolarHBondContact CB-CE1 3.33Å; I483-H601 WeakPolarHBondContact CD1-NE2 3.3Å; I483-H601 WeakPolarHBondContact CG1-CE1 3.39Å; I483-H601 WeakPolarHBondContact CG1-NE2 3.49Å; I483-H601 WeakPolarHBondContact CG2-CE1 3.23Å; I483-H601 WeakPolarHBondContact CG2-ND1 3.48Å; T597-H601 WeakPolarHBondContact O-CB 3.34Å; T597-H601 PolarHBondContact O-CD2 3.12Å; T597-H601 PolarHBondContact O-N 3.28Å; A598-H601 PolarHBondContact O-N 3.43Å; A599-H601 VanDerWaalsContact C-N 3.29Å; A599-H601 PolarHBondContact O-N 2.79Å; H601-R603 PolarHBondContact O-N 2.84Å; H601-R604 CarbonylContact O-C 3.58Å; H601-R604 WeakPolarHBondContact O-CA 3.23Å; H601-R604 PolarHBondContact O-N 3.31Å; H601-D605 PolarHBondContact O-N 3.45Å
602L59.5Low55.6Low11 Ų1160 Ų606%0.05830%0.299CS..Hα-helixtrans-67-26.3-178.1-75.5162.7000111.7L574 F577 A598 A599 R604 L608L574-L602 HydrophobicContact CB-CB 3.91Å; L574-L602 HydrophobicContact CD1-CB 3.73Å; L574-L602 HydrophobicContact CG-CB 4.33Å; F577-L602 HydrophobicContact CD2-CD1 3.41Å; F577-L602 VanDerWaalsContact CD2-CD1 3.41Å; F577-L602 HydrophobicContact CE2-CD1 3.8Å; A598-L602 VanDerWaalsContact O-CB 3.28Å; A598-L602 WeakPolarHBondContact O-CB 3.4Å; A598-L602 WeakPolarHBondContact O-CD1 3.37Å; A598-L602 WeakPolarHBondContact O-CG 3.31Å; A598-L602 PolarHBondContact O-N 3.09Å; A599-L602 PolarHBondContact O-N 2.95Å; L602-R604 VanDerWaalsContact C-N 3.26Å; L602-R604 PolarHBondContact O-N 3.34Å; L602-L608 HydrophobicContact CD1-CB 4.34Å; L602-L608 HydrophobicContact CD1-CD1 4.03Å; L602-L608 HydrophobicContact CD2-CB 3.77Å; L602-L608 HydrophobicContact CG-CB 4.08Å; L602-L608 HydrophobicContact CG-CD1 4.05Å
603R57.7Low53.7Low152 Ų15265.6 Ų65.657%0.57433%0.328SS*.THydrogen-bonded Turntrans-70.1-16.5168.7-79-179.7-175.1-166-1.2114.3L574 A599 H601L574-R603 HydrophobicContact CD1-CG 3.78Å; L574-R603 HydrophobicContact CD2-CG 3.74Å; L574-R603 HydrophobicContact CG-CG 4.43Å; A599-R603 WeakPolarHBondContact O-CB 3.44Å; A599-R603 VanDerWaalsContact O-CG 3.29Å; A599-R603 WeakPolarHBondContact O-CG 3.37Å; A599-R603 PolarHBondContact O-N 3.4Å; H601-R603 PolarHBondContact O-N 2.84Å
604R55.1Low51.9Low180 Ų18070.8 Ų70.868%0.67936%0.361SS*.THydrogen-bonded Turntrans-118.223.9-174.4-78.3-172.8173.5153.5-2.1113.5H601 L602H601-R604 CarbonylContact O-C 3.58Å; H601-R604 WeakPolarHBondContact O-CA 3.23Å; H601-R604 PolarHBondContact O-N 3.31Å; L602-R604 VanDerWaalsContact C-N 3.26Å; L602-R604 PolarHBondContact O-N 3.34Å
605D49.3Very low49.8Very low114 Ų11477.3 Ų77.361%0.6140%0.4SS*.SBendtrans88.4127.5175.2-53.8-47.5000117.6L491 H601 L607L491-D605 HydrophobicContact CD1-CB 4.32Å; L491-D605 WeakPolarHBondContact CD2-O 3.21Å; H601-D605 PolarHBondContact O-N 3.45Å; D605-L607 PolarHBondContact O-N 3.34Å
606A47.7Very low47.8Very low64 Ų6487.6 Ų87.653%0.52944%0.439SS..SBendtrans49.3-10.1154.200000124.7L491 L608L491-A606 HydrophobicContact CD2-CB 4.49Å; A606-L608 PolarHBondContact O-N 3.27Å
607L45.1Very low46.1Very low21 Ų2194 Ų9411%0.1149%0.486CS..THydrogen-bonded Turntrans-71.6-18.4-167.1-100.7153.4000117.6L486 L491 F497 D605L486-L607 HydrophobicContact CB-CD1 4.06Å; L491-L607 HydrophobicContact CD2-CD1 3.83Å; L491-L607 HydrophobicContact CD2-CG 3.92Å; F497-L607 HydrophobicContact CD2-CD2 4.25Å; F497-L607 HydrophobicContact CE2-CD2 3.36Å; F497-L607 HydrophobicContact CZ-CD2 3.97Å; D605-L607 PolarHBondContact O-N 3.34Å
608L42.6Very low45.1Very low43 Ų4398.2 Ų98.223%0.22551%0.507CS..THydrogen-bonded Turntrans-99.6-7.8-173.3-101.3155.3000115.6F577 A598 L602 A606 R610 L611F577-L608 HydrophobicContact CE2-CD1 4.42Å; A598-L608 HydrophobicContact CB-CD1 3.56Å; L602-L608 HydrophobicContact CD1-CB 4.34Å; L602-L608 HydrophobicContact CD1-CD1 4.03Å; L602-L608 HydrophobicContact CD2-CB 3.77Å; L602-L608 HydrophobicContact CG-CB 4.08Å; L602-L608 HydrophobicContact CG-CD1 4.05Å; A606-L608 PolarHBondContact O-N 3.27Å; L608-R610 VanDerWaalsContact C-N 3.27Å; L608-R610 PolarHBondContact O-N 3.36Å; L608-L611 HydrophobicContact CD2-CD1 3.84Å; L608-L611 HydrophobicContact CG-CD1 4.44Å
609V41.1Very low43.9Very low46 Ų46103.1 Ų103.128%0.27953%0.532SS..THydrogen-bonded Turntrans-74.5-12.2-175.8176.10000113.3Q569Q569-V609 HydrophobicContact CB-CG1 4.03Å; Q569-V609 HydrophobicContact CB-CG2 4.34Å; Q569-V609 HydrophobicContact CG-CG1 4.17Å
610R38Very low42.8Very low215 Ų215108.6 Ų108.681%0.81156%0.559SS**THydrogen-bonded Turntrans-103.80.5179.4-82-175.6178.1167.40.4115.9L608L608-R610 VanDerWaalsContact C-N 3.27Å; L608-R610 PolarHBondContact O-N 3.36Å
611L39.7Very low41.8Very low100 Ų100112.1 Ų112.152%0.52457%0.568SS.*THydrogen-bonded Turntrans-88.42.8-174.6-72.5172.8000115F497 L608F497-L611 HydrophobicContact CB-CD2 4.03Å; F497-L611 HydrophobicContact CD2-CD2 4.06Å; F497-L611 HydrophobicContact CD2-CG 4.43Å; F497-L611 HydrophobicContact CE2-CD1 4.43Å; F497-L611 HydrophobicContact CG-CD2 4.14Å; L608-L611 HydrophobicContact CD2-CD1 3.84Å; L608-L611 HydrophobicContact CG-CD1 4.44Å
612S33.9Very low40.7Very low100 Ų100117.8 Ų117.870%0.69960%0.598SS**THydrogen-bonded Turntrans-127.915.9-174.464.80000116.2P614S612-P614 WeakPolarHBondContact O-CD 3.43Å
613Q27.6Very low39.4Very low176 Ų176124.9 Ų124.982%0.82263%0.634SS**  trans-71.6116.3169.7-75-158.4-14.400110.4V615Q613-V615 PolarHBondContact O-N 3.09Å
614P29.6Very low38.1Very low108 Ų108122.9 Ų122.970%0.70164%0.638SS**  trans-73.1119167.422.2-12.2000108S612 R616S612-P614 WeakPolarHBondContact O-CD 3.43Å; P614-R616 PolarHBondContact O-N 3.43Å; P614-R616 VanDerWaalsContact O-N 3.08Å
615V27Very low36.8Very low139 Ų139118.5 Ų118.584%0.84264%0.635SS**  trans-66.9102160-179.90000106.5Q613Q613-V615 PolarHBondContact O-N 3.09Å
616R25.7Very low35.8Very low218 Ų218118.9 Ų118.982%0.82364%0.637SS**  trans-96147152.5-77.6-169-165.8-145.34.5106.5P614P614-R616 PolarHBondContact O-N 3.43Å; P614-R616 VanDerWaalsContact O-N 3.08Å
617P31.3Very low34.7Very low197 Ų197123.9 Ų123.9100%1.27965%0.647SS**  trans-48.50-151.917-33000116.5

Retrieved 617 of 617 residues in 626.3 ms (Link to these results)

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