A0A3Q0KMS0_SCHMA Loading...

MEG-3 (Grail) family

AlphaFold DB , UniProt , Accession A0A3Q0KMS0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 151 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
1M54.8Low54Low217 Ų217119.5 Ų119.5100%1.06962%0.616SS**  0-27.80-61-168.8-159.800113.4F3M1-F3 PolarHBondContact O-N 3.49Å
2L56.3Low53.7Low143 Ų143118 Ų11875%0.74961%0.609SS**Hα-helixtrans-66.2-31.4177.5-102.6108.4000115.6A5 L6L2-A5 PolarHBondContact O-N 3.45Å; L2-L6 PolarHBondContact O-N 3.4Å
3F53.9Low53.4Low172 Ų172118.1 Ų118.175%0.75460%0.604SS**Hα-helixtrans-68.1-35.6-176.6-82.8-84.4000114M1 I7M1-F3 PolarHBondContact O-N 3.49Å; F3-I7 WeakPolarHBondContact O-CG1 3.14Å; F3-I7 PolarHBondContact O-N 3.27Å
4F53.3Low53.5Low159 Ų159114.1 Ų114.170%0.69759%0.593SS**Hα-helixtrans-69.9-35.7178.9-70.9-78.7000112.4L8F4-L8 WeakPolarHBondContact O-CB 3.44Å; F4-L8 WeakPolarHBondContact O-CD1 3.43Å; F4-L8 WeakPolarHBondContact O-CG 3.36Å; F4-L8 PolarHBondContact O-N 2.93Å
5A56.7Low53.7Low49 Ų49115.7 Ų115.741%0.40559%0.593SS.*Hα-helixtrans-66.2-42.117800000111.8L2 L8 I9L2-A5 PolarHBondContact O-N 3.45Å; A5-L8 PolarHBondContact O-N 3.36Å; A5-I9 WeakPolarHBondContact O-CB 3.43Å; A5-I9 WeakPolarHBondContact O-CD1 3.39Å; A5-I9 WeakPolarHBondContact O-CG1 3.49Å; A5-I9 PolarHBondContact O-N 3.05Å
6L52.4Low54Low98 Ų98113.6 Ų113.651%0.51358%0.583SS.*Hα-helixtrans-64.2-43.2177.2-89.2154.7000112.5L2 I9 I10L2-L6 PolarHBondContact O-N 3.4Å; L6-I9 PolarHBondContact O-N 2.99Å; L6-I10 WeakPolarHBondContact O-CB 3.49Å; L6-I10 WeakPolarHBondContact O-CD1 3.44Å; L6-I10 WeakPolarHBondContact O-CG1 3.19Å; L6-I10 PolarHBondContact O-N 3.42Å
7I57.6Low54.6Low102 Ų102111.2 Ų111.252%0.52358%0.578SS.*Hα-helixtrans-63.6-45.7177.2-64.5169.3000110.6F3 I9 I10 S11F3-I7 WeakPolarHBondContact O-CG1 3.14Å; F3-I7 PolarHBondContact O-N 3.27Å; I7-I9 PolarHBondContact O-N 2.97Å; I7-I10 PolarHBondContact O-N 3.48Å; I7-S11 WeakPolarHBondContact O-CB 3.49Å; I7-S11 PolarHBondContact O-N 3.01Å; I7-S11 PolarHBondContact O-OG 2.97Å
8L53.4Low55.2Low114 Ų114107.2 Ų107.260%0.59756%0.564SS**Hα-helixtrans-60-45.8177.7-79.4163.4000112.1F4 A5 S11 L12F4-L8 WeakPolarHBondContact O-CB 3.44Å; F4-L8 WeakPolarHBondContact O-CD1 3.43Å; F4-L8 WeakPolarHBondContact O-CG 3.36Å; F4-L8 PolarHBondContact O-N 2.93Å; A5-L8 PolarHBondContact O-N 3.36Å; L8-S11 PolarHBondContact O-N 3.46Å; L8-L12 WeakPolarHBondContact O-CB 3.38Å; L8-L12 WeakPolarHBondContact O-CD1 3.48Å; L8-L12 PolarHBondContact O-N 3.19Å
9I53.5Low55.9Low89 Ų89106.6 Ų106.646%0.45656%0.557SS.*Hα-helixtrans-63-46.9178.9-66.7164.7000110.3A5 L6 I7 S11 L12 H13A5-I9 WeakPolarHBondContact O-CB 3.43Å; A5-I9 WeakPolarHBondContact O-CD1 3.39Å; A5-I9 WeakPolarHBondContact O-CG1 3.49Å; A5-I9 PolarHBondContact O-N 3.05Å; L6-I9 PolarHBondContact O-N 2.99Å; I7-I9 PolarHBondContact O-N 2.97Å; I9-S11 PolarHBondContact O-N 3.46Å; I9-L12 PolarHBondContact O-N 2.71Å; I9-H13 VanDerWaalsContact CG2-CE1 3.48Å; I9-H13 WeakPolarHBondContact CG2-CE1 3.37Å; I9-H13 PolarHBondContact O-N 3.41Å; I9-H13 PolarHBondContact O-ND1 3.31Å
10I52Low57.1Low102 Ų102105.2 Ų105.252%0.52355%0.553SS.*Hα-helixtrans-61.6-45179.2-65.8163000110.7L6 I7 L12 H13 S14L6-I10 WeakPolarHBondContact O-CB 3.49Å; L6-I10 WeakPolarHBondContact O-CD1 3.44Å; L6-I10 WeakPolarHBondContact O-CG1 3.19Å; L6-I10 PolarHBondContact O-N 3.42Å; I7-I10 PolarHBondContact O-N 3.48Å; I10-L12 VanDerWaalsContact C-N 3.33Å; I10-L12 PolarHBondContact O-N 3.45Å; I10-H13 PolarHBondContact O-N 2.98Å; I10-S14 PolarHBondContact O-N 3.29Å; I10-S14 VanDerWaalsContact O-N 3.14Å; I10-S14 PolarHBondContact O-OG 3.44Å
11S50Low58.3Low70 Ų70100.8 Ų100.849%0.4953%0.531SS..Hα-helixtrans-63.1-36.1178.8-61.20000113.3I7 L8 I9 F15I7-S11 WeakPolarHBondContact O-CB 3.49Å; I7-S11 PolarHBondContact O-N 3.01Å; I7-S11 PolarHBondContact O-OG 2.97Å; L8-S11 PolarHBondContact O-N 3.46Å; I9-S11 PolarHBondContact O-N 3.46Å; S11-F15 WeakPolarHBondContact O-CB 3.39Å; S11-F15 PolarHBondContact O-N 3.14Å
12L50.7Low59.8Low101 Ų10193.6 Ų93.653%0.52950%0.495SS..Hα-helixtrans-61.3-48.9174-88.9148.2000111.2L8 I9 I10 S14 F15 D16L8-L12 WeakPolarHBondContact O-CB 3.38Å; L8-L12 WeakPolarHBondContact O-CD1 3.48Å; L8-L12 PolarHBondContact O-N 3.19Å; I9-L12 PolarHBondContact O-N 2.71Å; I10-L12 VanDerWaalsContact C-N 3.33Å; I10-L12 PolarHBondContact O-N 3.45Å; L12-S14 PolarHBondContact O-N 3.18Å; L12-F15 PolarHBondContact O-N 3.27Å; L12-D16 PolarHBondContact O-N 3.17Å
13H50.1Low61.3Low119 Ų11991.9 Ų91.955%0.55148%0.483SS*.Hα-helixtrans-65.9-39.7-177.2-69.773.1000112.9I9 I10 C17I9-H13 VanDerWaalsContact CG2-CE1 3.48Å; I9-H13 WeakPolarHBondContact CG2-CE1 3.37Å; I9-H13 PolarHBondContact O-N 3.41Å; I9-H13 PolarHBondContact O-ND1 3.31Å; I10-H13 PolarHBondContact O-N 2.98Å; H13-C17 PolarHBondContact O-N 2.98Å; H13-C17 PolarHBondContact O-SG 3.49Å; H13-C17 VanDerWaalsContact O-SG 3.42Å
14S54.7Low63Low63 Ų6385.7 Ų85.744%0.44146%0.457SS..Hα-helixtrans-66.4-38.5177.1-600000112.2I10 L12 A18I10-S14 PolarHBondContact O-N 3.29Å; I10-S14 VanDerWaalsContact O-N 3.14Å; I10-S14 PolarHBondContact O-OG 3.44Å; L12-S14 PolarHBondContact O-N 3.18Å; S14-A18 PolarHBondContact O-N 2.94Å
15F56.3Low64.8Low138 Ų13878.1 Ų78.161%0.60542%0.424SS*.Hα-helixtrans-67.1-43177.6-174-96.9000111.7S11 L12 C17 A18 F19S11-F15 WeakPolarHBondContact O-CB 3.39Å; S11-F15 PolarHBondContact O-N 3.14Å; L12-F15 PolarHBondContact O-N 3.27Å; F15-C17 VanDerWaalsContact C-N 3.31Å; F15-C17 PolarHBondContact O-N 3.34Å; F15-A18 PolarHBondContact O-N 3.31Å; F15-F19 HydrophobicContact CE1-CB 4.45Å; F15-F19 WeakPolarHBondContact O-CB 3.33Å; F15-F19 PolarHBondContact O-N 3.23Å
16D57.8Low66.5Low81 Ų8178.8 Ų78.843%0.43342%0.418SS..Hα-helixtrans-59.8-41.6178-68.5-28.2000111.5L12 T20L12-D16 PolarHBondContact O-N 3.17Å; D16-T20 VanDerWaalsContact O-CB 3.24Å; D16-T20 WeakPolarHBondContact O-CB 3.44Å; D16-T20 PolarHBondContact O-N 3.42Å; D16-T20 PolarHBondContact O-OG1 3.36Å
17C64Low68.4Low73 Ų7381.7 Ų81.749%0.49343%0.427SS..Hα-helixtrans-64.1-48.1176.7-720000112.6H13 F15 A21H13-C17 PolarHBondContact O-N 2.98Å; H13-C17 PolarHBondContact O-SG 3.49Å; H13-C17 VanDerWaalsContact O-SG 3.42Å; F15-C17 VanDerWaalsContact C-N 3.31Å; F15-C17 PolarHBondContact O-N 3.34Å; C17-A21 WeakPolarHBondContact O-CB 3.31Å; C17-A21 PolarHBondContact O-N 2.71Å
18A65.8Low70Confident39 Ų3978.5 Ų78.532%0.32241%0.411SS..Hα-helixtrans-64.2-46.2-179.400000111.5S14 F15 T20 A21 Q22S14-A18 PolarHBondContact O-N 2.94Å; F15-A18 PolarHBondContact O-N 3.31Å; A18-T20 PolarHBondContact O-N 3.22Å; A18-A21 PolarHBondContact O-N 3.19Å; A18-Q22 WeakPolarHBondContact O-CG 3.42Å; A18-Q22 PolarHBondContact O-N 2.64Å; A18-Q22 VanDerWaalsContact O-N 3.08Å
19F68Low71.8Confident97 Ų9773.2 Ų73.243%0.42538%0.383SS..Hα-helixtrans-63.3-42.6179.3-178.2-113.1000112.3F15 Q22 Q23F15-F19 HydrophobicContact CE1-CB 4.45Å; F15-F19 WeakPolarHBondContact O-CB 3.33Å; F15-F19 PolarHBondContact O-N 3.23Å; F19-Q22 PolarHBondContact O-N 2.67Å; F19-Q23 PolarHBondContact O-N 3.39Å; F19-Q23 VanDerWaalsContact O-N 3.17Å
20T80.3Confident73.6Confident78 Ų7873 Ų7348%0.47938%0.379SS..Hα-helixtrans-62.5-44.4176-560000110.9D16 A18 Q22 Q23 E24D16-T20 VanDerWaalsContact O-CB 3.24Å; D16-T20 WeakPolarHBondContact O-CB 3.44Å; D16-T20 PolarHBondContact O-N 3.42Å; D16-T20 PolarHBondContact O-OG1 3.36Å; A18-T20 PolarHBondContact O-N 3.22Å; T20-Q22 VanDerWaalsContact C-N 3.31Å; T20-Q22 PolarHBondContact O-N 2.89Å; T20-Q23 PolarHBondContact O-N 3.08Å; T20-E24 WeakPolarHBondContact O-CB 3.24Å; T20-E24 PolarHBondContact O-N 2.77Å
21A82.3Confident75Confident12 Ų1270.6 Ų70.610%0.09938%0.379CS..Hα-helixtrans-60.6-38.9178.500000112.7C17 A18 C25 I115 N119C17-A21 WeakPolarHBondContact O-CB 3.31Å; C17-A21 PolarHBondContact O-N 2.71Å; A18-A21 PolarHBondContact O-N 3.19Å; A21-C25 WeakPolarHBondContact O-CB 3.24Å; A21-C25 PolarHBondContact O-N 3.24Å; A21-I115 HydrophobicContact CB-CG2 4.36Å; A21-N119 PolarHBondContact O-ND2 3.23Å
22Q87.1Confident75.9Confident66 Ų6675.9 Ų75.931%0.30840%0.402SS..Hα-helixtrans-66.2-44.9177.1-66.2-179.1-33.800112.3A18 F19 T20 E24 C25 E26 C44 S45A18-Q22 WeakPolarHBondContact O-CG 3.42Å; A18-Q22 PolarHBondContact O-N 2.64Å; A18-Q22 VanDerWaalsContact O-N 3.08Å; F19-Q22 PolarHBondContact O-N 2.67Å; T20-Q22 VanDerWaalsContact C-N 3.31Å; T20-Q22 PolarHBondContact O-N 2.89Å; Q22-E24 VanDerWaalsContact C-N 3.34Å; Q22-E24 PolarHBondContact O-N 3.48Å; Q22-C25 WeakPolarHBondContact O-CB 3.23Å; Q22-C25 PolarHBondContact O-N 2.86Å; Q22-E26 PolarHBondContact O-N 3.21Å; Q22-C44 VanDerWaalsContact CG-O 3.23Å; Q22-C44 WeakPolarHBondContact CG-O 3.39Å; Q22-S45 PolarHBondContact NE2-O 2.99Å
23Q87.6Confident77.2Confident108 Ų10872.9 Ų72.951%0.50539%0.387SS..Hα-helixtrans-63.5-42.2178.3-71.6-170.68.200112.4F19 T20 E26 K27F19-Q23 PolarHBondContact O-N 3.39Å; F19-Q23 VanDerWaalsContact O-N 3.17Å; T20-Q23 PolarHBondContact O-N 3.08Å; Q23-E26 PolarHBondContact O-N 3.31Å; Q23-K27 PolarHBondContact O-N 3.19Å
24E89.5Confident79Confident42 Ų4273.6 Ų73.620%0.19639%0.39CS..Hα-helixtrans-67.7-40.1178.9-164.1-162140.800111.1T20 Q22 E26 K27 N28 N119 E123T20-E24 WeakPolarHBondContact O-CB 3.24Å; T20-E24 PolarHBondContact O-N 2.77Å; Q22-E24 VanDerWaalsContact C-N 3.34Å; Q22-E24 PolarHBondContact O-N 3.48Å; E24-E26 PolarHBondContact O-N 3.27Å; E24-K27 WeakPolarHBondContact O-CB 3.48Å; E24-K27 PolarHBondContact O-N 3.35Å; E24-N28 WeakPolarHBondContact O-CB 3.33Å; E24-N28 VanDerWaalsContact O-CG 3.26Å; E24-N28 PolarHBondContact O-N 2.86Å; E24-N28 PolarHBondContact O-ND2 3Å; E24-N119 WeakPolarHBondContact OE1-CB 3.39Å; E24-E123 VanDerWaalsContact OE1-CG 3.26Å; E24-E123 WeakPolarHBondContact OE1-CG 3.38Å
25C91.6Very high81Confident0 Ų072.3 Ų72.30%038%0.376CS..Hα-helixtrans-58.8-46.3170.81740000111.6A21 Q22 K27 N28 C29 C44 I115 N119A21-C25 WeakPolarHBondContact O-CB 3.24Å; A21-C25 PolarHBondContact O-N 3.24Å; Q22-C25 WeakPolarHBondContact O-CB 3.23Å; Q22-C25 PolarHBondContact O-N 2.86Å; C25-K27 VanDerWaalsContact C-N 3.27Å; C25-K27 PolarHBondContact O-N 3.08Å; C25-N28 PolarHBondContact O-N 3.32Å; C25-C29 WeakPolarHBondContact O-CB 3.22Å; C25-C29 PolarHBondContact O-N 3.02Å; C25-C44 HydrophobicContact CB-CB 3.64Å; C25-C44 WeakPolarHBondContact CB-SG 3.33Å; C25-C44 PolarHBondContact O-SG 3.49Å; C25-C44 VanDerWaalsContact O-SG 3.36Å; C25-C44 VanDerWaalsContact SG-CA 3.59Å; C25-C44 WeakPolarHBondContact SG-CB 3.44Å; C25-C44 CovalentContact SG-SG 2.04Å; C25-C44 PolarHBondContact SG-SG 3.22Å; C25-I115 HydrophobicContact CB-CG2 3.6Å; C25-N119 WeakPolarHBondContact CA-OD1 3.5Å; C25-N119 WeakPolarHBondContact CB-OD1 3.38Å; C25-N119 PolarHBondContact N-OD1 2.99Å
26E92.8Very high82.8Confident63 Ų6365.8 Ų65.829%0.29435%0.347SS..Hα-helixtrans-61-40178.7-82.7-163.4-14800111.9Q22 Q23 E24 K30 C44Q22-E26 PolarHBondContact O-N 3.21Å; Q23-E26 PolarHBondContact O-N 3.31Å; E24-E26 PolarHBondContact O-N 3.27Å; E26-K30 WeakPolarHBondContact O-CB 3.37Å; E26-K30 WeakPolarHBondContact O-CD 3.19Å; E26-K30 WeakPolarHBondContact O-CG 3.42Å; E26-K30 PolarHBondContact O-N 2.9Å; E26-K30 IonicContact OE2-NZ 3.38Å; E26-K30 PolarHBondContact OE2-NZ 3.37Å; E26-C44 HydrophobicContact CG-CB 3.75Å; E26-C44 PolarHBondContact N-SG 3.35Å
27K91.5Very high84.5Confident158 Ų15863.5 Ų63.569%0.68734%0.338SS*.Hα-helixtrans-63.5-48.3176.7-178.8-172.4172.4-165.60111Q23 E24 C25 G31Q23-K27 PolarHBondContact O-N 3.19Å; E24-K27 WeakPolarHBondContact O-CB 3.48Å; E24-K27 PolarHBondContact O-N 3.35Å; C25-K27 VanDerWaalsContact C-N 3.27Å; C25-K27 PolarHBondContact O-N 3.08Å; K27-G31 PolarHBondContact O-N 3.37Å; K27-G31 VanDerWaalsContact O-N 3.1Å
28N90.5Very high86Confident35 Ų3565 Ų6519%0.18735%0.346CS..Hα-helixtrans-67.6-42.4-179.6-67.5-18.4000111.7E24 C25 G31 Y118 Q122E24-N28 WeakPolarHBondContact O-CB 3.33Å; E24-N28 VanDerWaalsContact O-CG 3.26Å; E24-N28 PolarHBondContact O-N 2.86Å; E24-N28 PolarHBondContact O-ND2 3Å; C25-N28 PolarHBondContact O-N 3.32Å; N28-G31 PolarHBondContact O-N 2.91Å; N28-Y118 VanDerWaalsContact C-OH 3.31Å; N28-Y118 HydrophobicContact CB-CE1 3.86Å; N28-Y118 PolarHBondContact O-OH 3.3Å; N28-Q122 HydrophobicContact CB-CB 3.98Å; N28-Q122 HydrophobicContact CB-CG 4.09Å
29C92.6Very high87.4Confident3 Ų364.4 Ų64.42%0.0234%0.338CS..Hα-helixtrans-63.1-42.6177.4173.90000112.3C25 C40 Y118C25-C29 WeakPolarHBondContact O-CB 3.22Å; C25-C29 PolarHBondContact O-N 3.02Å; C29-C40 HydrophobicContact CB-CB 3.7Å; C29-C40 WeakPolarHBondContact CB-SG 3.45Å; C29-C40 PolarHBondContact O-SG 3.4Å; C29-C40 VanDerWaalsContact O-SG 3.41Å; C29-C40 WeakPolarHBondContact SG-CA 3.46Å; C29-C40 WeakPolarHBondContact SG-CB 3.09Å; C29-C40 CovalentContact SG-SG 2.05Å; C29-C40 PolarHBondContact SG-SG 2.04Å; C29-Y118 VanDerWaalsContact CA-OH 3.3Å; C29-Y118 WeakPolarHBondContact CA-OH 3.41Å; C29-Y118 HydrophobicContact CB-CE1 4.41Å; C29-Y118 PolarHBondContact N-OH 3.03Å
30K90.6Very high88.6Confident85 Ų8559.8 Ų59.837%0.3732%0.318SS..Hα-helixtrans-63.9-47.6176.3-73.8166.9-168.3161.80109.8E26 D32 N33 S37 C40E26-K30 WeakPolarHBondContact O-CB 3.37Å; E26-K30 WeakPolarHBondContact O-CD 3.19Å; E26-K30 WeakPolarHBondContact O-CG 3.42Å; E26-K30 PolarHBondContact O-N 2.9Å; E26-K30 IonicContact OE2-NZ 3.38Å; E26-K30 PolarHBondContact OE2-NZ 3.37Å; K30-D32 PolarHBondContact O-N 3.17Å; K30-N33 PolarHBondContact O-N 3.43Å; K30-S37 WeakPolarHBondContact CA-OG 3.4Å; K30-S37 PolarHBondContact O-OG 3.2Å; K30-C40 HydrophobicContact CG-CB 3.93Å; K30-C40 PolarHBondContact N-SG 3.27Å; K30-C40 VanDerWaalsContact N-SG 3.37Å
31G81.1Confident89.2Confident51 Ų5157.6 Ų57.653%0.52631%0.311SS..THydrogen-bonded Turntrans35.9-132.5170.900000113.5K27 N28K27-G31 PolarHBondContact O-N 3.37Å; K27-G31 VanDerWaalsContact O-N 3.1Å; N28-G31 PolarHBondContact O-N 2.91Å
32D68.1Low89.7Confident181 Ų18161 Ų6197%0.96833%0.326SS*.THydrogen-bonded Turntrans-96.214.1171.1-66.2-38.3000112.7K30K30-D32 PolarHBondContact O-N 3.17Å
33N78.9Confident90Very high39 Ų3958 Ų5821%0.20931%0.312CS..  trans-108.493.1-169.9-158.7-28.7000112.8K30 Y35 V36 S37 S60K30-N33 PolarHBondContact O-N 3.43Å; N33-Y35 VanDerWaalsContact C-N 3.31Å; N33-Y35 PolarHBondContact O-N 2.99Å; N33-Y35 PolarHBondContact OD1-N 3.46Å; N33-V36 HydrophobicContact CB-CG1 3.92Å; N33-S37 WeakPolarHBondContact O-CB 3.24Å; N33-S37 PolarHBondContact O-N 3.08Å; N33-S37 PolarHBondContact O-OG 3.15Å; N33-S60 WeakPolarHBondContact ND2-CB 3.47Å; N33-S60 PolarHBondContact ND2-OG 3.02Å; N33-S60 VanDerWaalsContact ND2-OG 3.11Å; N33-S60 PolarHBondContact OD1-OG 2.5Å
34E88.7Confident90.3Very high133 Ų13352.8 Ų52.862%0.62129%0.288SS*.THydrogen-bonded Turntrans-64.8-29.7-175.265.4179.3-179.300114
35Y95.4Very high90.3Very high37 Ų3752.4 Ų52.415%0.14529%0.29CS..THydrogen-bonded Turntrans-75.5-40.3-173.2-48.9-55.9000112.6N33 P38 S60 A63 T64 K65 Q66 F69N33-Y35 VanDerWaalsContact C-N 3.31Å; N33-Y35 PolarHBondContact O-N 2.99Å; N33-Y35 PolarHBondContact OD1-N 3.46Å; Y35-P38 WeakPolarHBondContact O-CD 3.05Å; Y35-S60 WeakPolarHBondContact CB-OG 3.45Å; Y35-A63 HydrophobicContact CD2-CB 3.86Å; Y35-A63 HydrophobicContact CE2-CB 4.09Å; Y35-A63 WeakPolarHBondContact CE2-O 3.34Å; Y35-T64 PolarHBondContact OH-O 3.33Å; Y35-T64 VanDerWaalsContact OH-O 3.07Å; Y35-K65 WeakPolarHBondContact OH-CA 3.34Å; Y35-K65 PolarHBondContact OH-N 3.38Å; Y35-Q66 HydrophobicContact CD1-CB 4.27Å; Y35-Q66 HydrophobicContact CE1-CB 4.48Å; Y35-F69 HydrophobicContact CG-CB 4.34Å; Y35-F69 VanDerWaalsContact O-CE1 3.25Å; Y35-F69 WeakPolarHBondContact O-CE1 3.13Å
36V94.5Very high90Very high0 Ų053.1 Ų53.10%030%0.297CS..THydrogen-bonded Turntrans-84.6-24178.568.30000112.9N33 P38 N39 C40 L43 L57 S60 F69N33-V36 HydrophobicContact CB-CG1 3.92Å; V36-P38 VanDerWaalsContact C-N 3.29Å; V36-P38 WeakPolarHBondContact O-CD 3.29Å; V36-N39 HydrophobicContact CG2-CB 4.47Å; V36-N39 WeakPolarHBondContact O-CA 3.23Å; V36-N39 WeakPolarHBondContact O-CB 3.03Å; V36-N39 PolarHBondContact O-N 2.76Å; V36-C40 PolarHBondContact O-N 3.17Å; V36-L43 HydrophobicContact CG2-CD1 3.6Å; V36-L57 HydrophobicContact CG1-CD2 4.09Å; V36-L57 HydrophobicContact CG2-CD2 4.1Å; V36-S60 VanDerWaalsContact CB-OG 3.29Å; V36-S60 WeakPolarHBondContact CB-OG 3.32Å; V36-S60 PolarHBondContact N-OG 3.5Å; V36-F69 HydrophobicContact CB-CE2 4.06Å; V36-F69 HydrophobicContact CB-CZ 4.25Å; V36-F69 HydrophobicContact CG2-CE2 4.39Å; V36-F69 HydrophobicContact CG2-CZ 4.4Å
37S94.3Very high89.8Confident34 Ų3455 Ų5524%0.23831%0.313CS..G310 helixtrans-41.4-44.9-177.8-80.90000115.2K30 N33 N39 C40K30-S37 WeakPolarHBondContact CA-OG 3.4Å; K30-S37 PolarHBondContact O-OG 3.2Å; N33-S37 WeakPolarHBondContact O-CB 3.24Å; N33-S37 PolarHBondContact O-N 3.08Å; N33-S37 PolarHBondContact O-OG 3.15Å; S37-N39 PolarHBondContact O-N 3.23Å; S37-N39 VanDerWaalsContact O-N 3.15Å; S37-C40 PolarHBondContact O-N 3.43Å
38P94.5Very high89.7Confident104 Ų10449.7 Ų49.768%0.67529%0.292SS*.G310 helixtrans-62.1-20.9177.7-23.635.2000114.7Y35 V36Y35-P38 WeakPolarHBondContact O-CD 3.05Å; V36-P38 VanDerWaalsContact C-N 3.29Å; V36-P38 WeakPolarHBondContact O-CD 3.29Å
39N94.8Very high89.7Confident27 Ų2748.1 Ų48.114%0.14428%0.284CS..G310 helixtrans-100.1-9.6-176.8-55.1-85.7000112.6V36 S37 G41 I42 L43 Y56 K73V36-N39 HydrophobicContact CG2-CB 4.47Å; V36-N39 WeakPolarHBondContact O-CA 3.23Å; V36-N39 WeakPolarHBondContact O-CB 3.03Å; V36-N39 PolarHBondContact O-N 2.76Å; S37-N39 PolarHBondContact O-N 3.23Å; S37-N39 VanDerWaalsContact O-N 3.15Å; N39-G41 VanDerWaalsContact C-N 3.26Å; N39-G41 PolarHBondContact O-N 3.36Å; N39-I42 HydrophobicContact CB-CG2 4.31Å; N39-I42 WeakPolarHBondContact O-CG2 3.47Å; N39-I42 PolarHBondContact O-N 3.42Å; N39-I42 VanDerWaalsContact O-N 3.08Å; N39-L43 HydrophobicContact CB-CD1 4.37Å; N39-L43 HydrophobicContact CB-CG 4.37Å; N39-L43 WeakPolarHBondContact O-CG 3.48Å; N39-L43 PolarHBondContact O-N 3.42Å; N39-Y56 HydrophobicContact CB-CD1 3.82Å; N39-Y56 HydrophobicContact CB-CE1 3.79Å; N39-K73 WeakPolarHBondContact OD1-CE 3.34Å
40C94.5Very high89.6Confident0 Ų048.3 Ų48.30%029%0.285CS..Hα-helixtrans-59.2-34.1-173.8-70.90000113.7C29 K30 V36 S37 I42 L43 C44C29-C40 HydrophobicContact CB-CB 3.7Å; C29-C40 WeakPolarHBondContact CB-SG 3.45Å; C29-C40 PolarHBondContact O-SG 3.4Å; C29-C40 VanDerWaalsContact O-SG 3.41Å; C29-C40 WeakPolarHBondContact SG-CA 3.46Å; C29-C40 WeakPolarHBondContact SG-CB 3.09Å; C29-C40 CovalentContact SG-SG 2.05Å; C29-C40 PolarHBondContact SG-SG 2.04Å; K30-C40 HydrophobicContact CG-CB 3.93Å; K30-C40 PolarHBondContact N-SG 3.27Å; K30-C40 VanDerWaalsContact N-SG 3.37Å; V36-C40 PolarHBondContact O-N 3.17Å; S37-C40 PolarHBondContact O-N 3.43Å; C40-I42 PolarHBondContact O-N 3.05Å; C40-L43 PolarHBondContact O-N 3.2Å; C40-C44 VanDerWaalsContact O-CB 3.23Å; C40-C44 WeakPolarHBondContact O-CB 3.04Å; C40-C44 PolarHBondContact O-N 3.36Å; C40-C44 PolarHBondContact O-SG 2.85Å; C40-C44 VanDerWaalsContact O-SG 3.36Å
41G93.2Very high89.7Confident32 Ų3245.2 Ų45.233%0.3327%0.272SS..Hα-helixtrans-61.8-42.1176.100000113.2N39 S45N39-G41 VanDerWaalsContact C-N 3.26Å; N39-G41 PolarHBondContact O-N 3.36Å; G41-S45 PolarHBondContact O-N 3.38Å
42I92.8Very high90.4Very high83 Ų8343.6 Ų43.643%0.42625%0.252SS..Hα-helixtrans-74.2-39.7177-173.359.2000111.2N39 C40 C44 S45 I48N39-I42 HydrophobicContact CB-CG2 4.31Å; N39-I42 WeakPolarHBondContact O-CG2 3.47Å; N39-I42 PolarHBondContact O-N 3.42Å; N39-I42 VanDerWaalsContact O-N 3.08Å; C40-I42 PolarHBondContact O-N 3.05Å; I42-C44 VanDerWaalsContact C-N 3.34Å; I42-C44 PolarHBondContact O-N 3.22Å; I42-S45 VanDerWaalsContact O-CB 3.31Å; I42-S45 WeakPolarHBondContact O-CB 3.08Å; I42-S45 PolarHBondContact O-N 2.87Å; I42-S45 PolarHBondContact O-OG 3.45Å; I42-I48 HydrophobicContact CD1-CD1 4.33Å; I42-I48 HydrophobicContact CD1-CG1 4.23Å; I42-I48 HydrophobicContact CG1-CD1 4.01Å; I42-I48 HydrophobicContact CG1-CG1 3.84Å; I42-I48 VanDerWaalsContact O-CG1 3.29Å; I42-I48 WeakPolarHBondContact O-CG1 3.07Å
43L93.4Very high91.6Very high2 Ų235.2 Ų35.21%0.0121%0.207CC..Hα-helixtrans-61.8-40.9178-70.1-174.2000112.3V36 N39 C40 S45 I48 F53 Y56V36-L43 HydrophobicContact CG2-CD1 3.6Å; N39-L43 HydrophobicContact CB-CD1 4.37Å; N39-L43 HydrophobicContact CB-CG 4.37Å; N39-L43 WeakPolarHBondContact O-CG 3.48Å; N39-L43 PolarHBondContact O-N 3.42Å; C40-L43 PolarHBondContact O-N 3.2Å; L43-S45 VanDerWaalsContact C-N 3.33Å; L43-I48 HydrophobicContact CD2-CG2 4.1Å; L43-F53 HydrophobicContact CB-CD2 3.65Å; L43-F53 HydrophobicContact CB-CE2 3.8Å; L43-F53 HydrophobicContact CD2-CD2 4.33Å; L43-F53 HydrophobicContact CG-CD2 4.38Å; L43-F53 WeakPolarHBondContact O-CD2 3.31Å; L43-Y56 HydrophobicContact CD1-CD1 3.9Å; L43-Y56 HydrophobicContact CD1-CG 4.16Å; L43-Y56 HydrophobicContact CD2-CD1 3.92Å; L43-Y56 HydrophobicContact CD2-CE1 4.36Å; L43-Y56 HydrophobicContact CD2-CG 3.99Å; L43-Y56 HydrophobicContact CG-CD1 4.19Å
44C92.9Very high92.4Very high0 Ų033.5 Ų33.50%020%0.198CC..THydrogen-bonded Turntrans-88.23.9179.3-62.90000113.7Q22 C25 E26 C40 I42 G46 I115Q22-C44 VanDerWaalsContact CG-O 3.23Å; Q22-C44 WeakPolarHBondContact CG-O 3.39Å; C25-C44 HydrophobicContact CB-CB 3.64Å; C25-C44 WeakPolarHBondContact CB-SG 3.33Å; C25-C44 PolarHBondContact O-SG 3.49Å; C25-C44 VanDerWaalsContact O-SG 3.36Å; C25-C44 VanDerWaalsContact SG-CA 3.59Å; C25-C44 WeakPolarHBondContact SG-CB 3.44Å; C25-C44 CovalentContact SG-SG 2.04Å; C25-C44 PolarHBondContact SG-SG 3.22Å; E26-C44 HydrophobicContact CG-CB 3.75Å; E26-C44 PolarHBondContact N-SG 3.35Å; C40-C44 VanDerWaalsContact O-CB 3.23Å; C40-C44 WeakPolarHBondContact O-CB 3.04Å; C40-C44 PolarHBondContact O-N 3.36Å; C40-C44 PolarHBondContact O-SG 2.85Å; C40-C44 VanDerWaalsContact O-SG 3.36Å; I42-C44 VanDerWaalsContact C-N 3.34Å; I42-C44 PolarHBondContact O-N 3.22Å; C44-G46 PolarHBondContact O-N 3.27Å; C44-I115 WeakPolarHBondContact O-CD1 3.17Å
45S90.3Very high92.7Very high33 Ų3327.2 Ų27.223%0.23117%0.168CC..THydrogen-bonded Turntrans-69.5-13.8178.768.80000113.9Q22 G41 I42 L43 T47Q22-S45 PolarHBondContact NE2-O 2.99Å; G41-S45 PolarHBondContact O-N 3.38Å; I42-S45 VanDerWaalsContact O-CB 3.31Å; I42-S45 WeakPolarHBondContact O-CB 3.08Å; I42-S45 PolarHBondContact O-N 2.87Å; I42-S45 PolarHBondContact O-OG 3.45Å; L43-S45 VanDerWaalsContact C-N 3.33Å; S45-T47 PolarHBondContact O-N 3.21Å; S45-T47 PolarHBondContact OG-N 3.42Å; S45-T47 PolarHBondContact OG-OG1 2.92Å
46G84.7Confident92.7Very high16 Ų1626.2 Ų26.217%0.16516%0.164CC..SBendtrans73.4-2.3-171.700000114.1C44 G110 G111C44-G46 PolarHBondContact O-N 3.27Å; G46-G110 CarbonylContact O-C 3.31Å; G46-G110 VanDerWaalsContact O-C 3.31Å; G46-G110 VanDerWaalsContact O-CA 3.24Å; G46-G110 WeakPolarHBondContact O-CA 3.33Å; G46-G111 PolarHBondContact O-N 2.74Å
47T88.4Confident92.7Very high102 Ų10226.5 Ų26.563%0.62617%0.166SC*.  trans-84.1-23.9174.466.50000112.4S45S45-T47 PolarHBondContact O-N 3.21Å; S45-T47 PolarHBondContact OG-N 3.42Å; S45-T47 PolarHBondContact OG-OG1 2.92Å
48I89.1Confident92.7Very high46 Ų4624.9 Ų24.924%0.23616%0.155CC..SBendtrans-88.4133179.3-59.5-58.7000109.3I42 L43 T52I42-I48 HydrophobicContact CD1-CD1 4.33Å; I42-I48 HydrophobicContact CD1-CG1 4.23Å; I42-I48 HydrophobicContact CG1-CD1 4.01Å; I42-I48 HydrophobicContact CG1-CG1 3.84Å; I42-I48 VanDerWaalsContact O-CG1 3.29Å; I42-I48 WeakPolarHBondContact O-CG1 3.07Å; L43-I48 HydrophobicContact CD2-CG2 4.1Å; I48-T52 HydrophobicContact CG2-CG2 3.56Å
49G90.6Very high92.7Very high3 Ų320.1 Ų20.13%0.03112%0.123CC..  trans-73.2160.817600000113.6Q51 T52 F53 N108G49-Q51 VanDerWaalsContact C-N 3.29Å; G49-Q51 PolarHBondContact O-N 2.03Å; G49-T52 PolarHBondContact O-N 3.5Å; G49-F53 WeakPolarHBondContact O-CB 3.43Å; G49-F53 PolarHBondContact O-N 2.97Å; G49-N108 WeakPolarHBondContact CA-O 3.44Å; G49-N108 VanDerWaalsContact CA-OD1 3.24Å; G49-N108 WeakPolarHBondContact CA-OD1 3.43Å; G49-N108 PolarHBondContact O-OD1 3.43Å
50P90.6Very high92.7Very high6 Ų619 Ų194%0.03912%0.118CC..Hα-helixtrans-63.3-30.2-175.521.2-30.4000113.5F53 Y54 V104 G107 D109 P114P50-F53 PolarHBondContact O-N 3.13Å; P50-Y54 HydrophobicContact CB-CD2 4.39Å; P50-Y54 VanDerWaalsContact O-CD2 3.26Å; P50-Y54 WeakPolarHBondContact O-CD2 3.04Å; P50-Y54 PolarHBondContact O-N 3.35Å; P50-V104 HydrophobicContact CB-CB 4.15Å; P50-V104 WeakPolarHBondContact CB-O 3.06Å; P50-V104 WeakPolarHBondContact CG-O 3.37Å; P50-G107 VanDerWaalsContact CG-O 3.3Å; P50-G107 WeakPolarHBondContact CG-O 3.32Å; P50-D109 WeakPolarHBondContact CD-O 3.35Å; P50-P114 HydrophobicContact CB-CB 3.93Å; P50-P114 HydrophobicContact CB-CG 4.02Å; P50-P114 HydrophobicContact CG-CB 4.45Å; P50-P114 HydrophobicContact CG-CG 3.98Å
51Q93.7Very high92.7Very high20 Ų2023.8 Ų23.89%0.09314%0.14CC..Hα-helixtrans-66.9-44.1177.9-57.6176-12.200111G49 C55 L82 C87 C105 G107 N108G49-Q51 VanDerWaalsContact C-N 3.29Å; G49-Q51 PolarHBondContact O-N 2.03Å; Q51-C55 WeakPolarHBondContact O-CB 3.27Å; Q51-C55 PolarHBondContact O-N 3.34Å; Q51-L82 HydrophobicContact CB-CB 4.3Å; Q51-L82 HydrophobicContact CB-CD2 4.02Å; Q51-L82 VanDerWaalsContact OE1-C 3.31Å; Q51-L82 PolarHBondContact OE1-O 3.02Å; Q51-C87 HydrophobicContact CB-CB 4.17Å; Q51-C87 HydrophobicContact CG-CB 3.83Å; Q51-C105 PolarHBondContact NE2-O 3.4Å; Q51-G107 WeakPolarHBondContact CG-O 3.01Å; Q51-N108 WeakPolarHBondContact CA-OD1 3.06Å; Q51-N108 HydrophobicContact CB-CB 4.16Å; Q51-N108 VanDerWaalsContact CB-OD1 3.31Å; Q51-N108 WeakPolarHBondContact CB-OD1 3.16Å; Q51-N108 HydrophobicContact CG-CB 4.18Å; Q51-N108 PolarHBondContact N-OD1 3.06Å
52T94.4Very high92.7Very high17 Ų1727 Ų2710%0.10415%0.15CC..Hα-helixtrans-66.3-42.3174.8-580000110.8I48 G49 C55 Y56 L82 N108I48-T52 HydrophobicContact CG2-CG2 3.56Å; G49-T52 PolarHBondContact O-N 3.5Å; T52-C55 PolarHBondContact O-N 3.47Å; T52-Y56 HydrophobicContact CG2-CD2 4.15Å; T52-Y56 HydrophobicContact CG2-CE2 3.91Å; T52-Y56 WeakPolarHBondContact O-CD2 3.45Å; T52-Y56 PolarHBondContact O-N 3.25Å; T52-L82 WeakPolarHBondContact OG1-CD1 3.39Å; T52-N108 PolarHBondContact N-OD1 3.4Å; T52-N108 PolarHBondContact OG1-ND2 3.28Å; T52-N108 PolarHBondContact OG1-OD1 3.48Å
53F94.3Very high92.8Very high5 Ų523.6 Ų23.62%0.02213%0.134CC..Hα-helixtrans-55.7-57.1177.2-175.9-93.2000112.4L43 G49 P50 C55 Y56 L57 Y118L43-F53 HydrophobicContact CB-CD2 3.65Å; L43-F53 HydrophobicContact CB-CE2 3.8Å; L43-F53 HydrophobicContact CD2-CD2 4.33Å; L43-F53 HydrophobicContact CG-CD2 4.38Å; L43-F53 WeakPolarHBondContact O-CD2 3.31Å; G49-F53 WeakPolarHBondContact O-CB 3.43Å; G49-F53 PolarHBondContact O-N 2.97Å; P50-F53 PolarHBondContact O-N 3.13Å; F53-C55 VanDerWaalsContact C-N 3.32Å; F53-C55 PolarHBondContact O-N 3.38Å; F53-Y56 PolarHBondContact O-N 3.27Å; F53-L57 HydrophobicContact CD1-CD1 3.87Å; F53-L57 HydrophobicContact CE1-CD1 3.31Å; F53-L57 HydrophobicContact CE1-CG 4.36Å; F53-L57 HydrophobicContact CZ-CD1 3.76Å; F53-L57 PolarHBondContact O-N 3.08Å; F53-Y118 HydrophobicContact CE1-CD1 4.22Å; F53-Y118 AromaticContact CE1-CD2 3.88Å; F53-Y118 HydrophobicContact CE1-CD2 3.88Å; F53-Y118 HydrophobicContact CE1-CE2 4.32Å; F53-Y118 AromaticContact CE1-CG 3.83Å; F53-Y118 HydrophobicContact CE1-CG 3.83Å; F53-Y118 AromaticContact CZ-CD1 3.74Å; F53-Y118 HydrophobicContact CZ-CD1 3.74Å; F53-Y118 HydrophobicContact CZ-CD2 4.18Å; F53-Y118 AromaticContact CZ-CE1 3.96Å; F53-Y118 HydrophobicContact CZ-CE1 3.96Å; F53-Y118 HydrophobicContact CZ-CE2 4.41Å; F53-Y118 AromaticContact CZ-CG 3.84Å; F53-Y118 HydrophobicContact CZ-CG 3.84Å
54Y94.2Very high92.9Very high4 Ų428.6 Ų28.62%0.01617%0.165CC..Hα-helixtrans-69.4-29.6179.1-76.4-69.5000112.5P50 Y56 L57 G58 N90 C91 I94 V104P50-Y54 HydrophobicContact CB-CD2 4.39Å; P50-Y54 VanDerWaalsContact O-CD2 3.26Å; P50-Y54 WeakPolarHBondContact O-CD2 3.04Å; P50-Y54 PolarHBondContact O-N 3.35Å; Y54-Y56 VanDerWaalsContact C-N 3.34Å; Y54-Y56 PolarHBondContact O-N 3.39Å; Y54-L57 HydrophobicContact CD1-CD1 4.49Å; Y54-L57 PolarHBondContact O-N 3.13Å; Y54-G58 PolarHBondContact O-N 3.11Å; Y54-N90 VanDerWaalsContact O-CB 3.32Å; Y54-N90 WeakPolarHBondContact O-CB 3.49Å; Y54-C91 VanDerWaalsContact CD1-CA 3.47Å; Y54-C91 HydrophobicContact CD1-CB 3.75Å; Y54-C91 HydrophobicContact CD2-CB 4.11Å; Y54-C91 HydrophobicContact CE1-CB 3.88Å; Y54-C91 HydrophobicContact CE2-CB 4.27Å; Y54-C91 HydrophobicContact CG-CB 3.86Å; Y54-I94 HydrophobicContact CD1-CB 4.47Å; Y54-I94 HydrophobicContact CE1-CB 4.46Å; Y54-I94 HydrophobicContact CE1-CG2 4.46Å; Y54-V104 HydrophobicContact CD2-CG2 4.32Å; Y54-V104 HydrophobicContact CE2-CB 4.24Å; Y54-V104 HydrophobicContact CE2-CG2 3.59Å
55C95.1Very high93.1Very high0 Ų033.9 Ų33.90%019%0.188CC..Hα-helixtrans-58.7-47.1172.6-169.40000111.3Q51 T52 F53 G58 C59 C76 Q81 L82Q51-C55 WeakPolarHBondContact O-CB 3.27Å; Q51-C55 PolarHBondContact O-N 3.34Å; T52-C55 PolarHBondContact O-N 3.47Å; F53-C55 VanDerWaalsContact C-N 3.32Å; F53-C55 PolarHBondContact O-N 3.38Å; C55-G58 PolarHBondContact O-N 2.88Å; C55-C59 WeakPolarHBondContact O-CB 3.44Å; C55-C59 PolarHBondContact O-N 2.03Å; C55-C59 PolarHBondContact O-SG 2.98Å; C55-C76 VanDerWaalsContact C-SG 3.51Å; C55-C76 HydrophobicContact CB-CB 3.77Å; C55-C76 WeakPolarHBondContact CB-SG 3.47Å; C55-C76 VanDerWaalsContact SG-CA 3.52Å; C55-C76 WeakPolarHBondContact SG-CB 3.38Å; C55-C76 CovalentContact SG-SG 2.03Å; C55-C76 PolarHBondContact SG-SG 3.27Å; C55-Q81 PolarHBondContact SG-OE1 3.11Å; C55-L82 HydrophobicContact CB-CD2 4.35Å
56Y95.9Very high93.3Very high16 Ų1636 Ų366%0.06319%0.194CC..Hα-helixtrans-62.5-47177.2-86.7-133.1000112.1N39 L43 T52 F53 Y54 G58 C59 S60 F69 K73 C76 D77N39-Y56 HydrophobicContact CB-CD1 3.82Å; N39-Y56 HydrophobicContact CB-CE1 3.79Å; L43-Y56 HydrophobicContact CD1-CD1 3.9Å; L43-Y56 HydrophobicContact CD1-CG 4.16Å; L43-Y56 HydrophobicContact CD2-CD1 3.92Å; L43-Y56 HydrophobicContact CD2-CE1 4.36Å; L43-Y56 HydrophobicContact CD2-CG 3.99Å; L43-Y56 HydrophobicContact CG-CD1 4.19Å; T52-Y56 HydrophobicContact CG2-CD2 4.15Å; T52-Y56 HydrophobicContact CG2-CE2 3.91Å; T52-Y56 WeakPolarHBondContact O-CD2 3.45Å; T52-Y56 PolarHBondContact O-N 3.25Å; F53-Y56 PolarHBondContact O-N 3.27Å; Y54-Y56 VanDerWaalsContact C-N 3.34Å; Y54-Y56 PolarHBondContact O-N 3.39Å; Y56-G58 PolarHBondContact O-N 2.97Å; Y56-C59 WeakPolarHBondContact O-CB 3.44Å; Y56-C59 PolarHBondContact O-N 3.09Å; Y56-S60 WeakPolarHBondContact O-CB 3.26Å; Y56-S60 PolarHBondContact O-N 2.91Å; Y56-F69 HydrophobicContact CD1-CZ 4.3Å; Y56-K73 HydrophobicContact CD1-CG 4.43Å; Y56-K73 HydrophobicContact CE1-CD 3.94Å; Y56-K73 VanDerWaalsContact CE1-CE 3.49Å; Y56-K73 HydrophobicContact CE1-CG 3.84Å; Y56-K73 HydrophobicContact CE2-CG 3.91Å; Y56-K73 WeakPolarHBondContact OH-CE 3.35Å; Y56-K73 PolarHBondContact OH-NZ 3Å; Y56-C76 HydrophobicContact CD2-CB 3.73Å; Y56-C76 HydrophobicContact CE2-CB 3.64Å; Y56-D77 WeakPolarHBondContact CE2-OD1 3.06Å; Y56-D77 PolarHBondContact OH-OD1 3.01Å; Y56-D77 PolarHBondContact OH-OD2 2.77Å
57L94.4Very high93.9Very high7 Ų737.9 Ų37.94%0.03720%0.204CC..Hα-helixtrans-62.9-42.9179.1-65.4-179.6000111.7V36 F53 Y54 S60 H61 I94 Y118V36-L57 HydrophobicContact CG1-CD2 4.09Å; V36-L57 HydrophobicContact CG2-CD2 4.1Å; F53-L57 HydrophobicContact CD1-CD1 3.87Å; F53-L57 HydrophobicContact CE1-CD1 3.31Å; F53-L57 HydrophobicContact CE1-CG 4.36Å; F53-L57 HydrophobicContact CZ-CD1 3.76Å; F53-L57 PolarHBondContact O-N 3.08Å; Y54-L57 HydrophobicContact CD1-CD1 4.49Å; Y54-L57 PolarHBondContact O-N 3.13Å; L57-S60 WeakPolarHBondContact O-CB 3.06Å; L57-S60 PolarHBondContact O-N 3.28Å; L57-S60 VanDerWaalsContact O-N 3.15Å; L57-H61 WeakPolarHBondContact O-CB 3.03Å; L57-H61 PolarHBondContact O-N 2.68Å; L57-I94 HydrophobicContact CB-CD1 3.85Å; L57-I94 HydrophobicContact CB-CG1 3.79Å; L57-I94 HydrophobicContact CB-CG2 4.46Å; L57-I94 HydrophobicContact CD1-CG2 4Å; L57-Y118 HydrophobicContact CD1-CD2 4.35Å; L57-Y118 HydrophobicContact CD1-CE2 3.83Å
58G94.3Very high94.3Very high0 Ų036.4 Ų36.40%019%0.191CC..Hα-helixtrans-63.5-40.2175.400000113.1Y54 C55 Y56 S60 H61 N62Y54-G58 PolarHBondContact O-N 3.11Å; C55-G58 PolarHBondContact O-N 2.88Å; Y56-G58 PolarHBondContact O-N 2.97Å; G58-S60 VanDerWaalsContact C-N 3.28Å; G58-S60 PolarHBondContact O-N 2.68Å; G58-H61 PolarHBondContact O-N 3.01Å; G58-N62 PolarHBondContact O-N 3.24Å; G58-N62 VanDerWaalsContact O-N 3.13Å; G58-N62 PolarHBondContact O-ND2 3.29Å; G58-N62 VanDerWaalsContact O-ND2 3.16Å
59C95.4Very high94.7Very high3 Ų334.2 Ų34.22%0.0218%0.179CC..Hα-helixtrans-58-44171-70.60000111.3C55 Y56 N62 A63 F69 C72 C76C55-C59 WeakPolarHBondContact O-CB 3.44Å; C55-C59 PolarHBondContact O-N 2.03Å; C55-C59 PolarHBondContact O-SG 2.98Å; Y56-C59 WeakPolarHBondContact O-CB 3.44Å; Y56-C59 PolarHBondContact O-N 3.09Å; C59-N62 PolarHBondContact O-N 3.02Å; C59-A63 VanDerWaalsContact O-CB 3.31Å; C59-A63 WeakPolarHBondContact O-CB 3.47Å; C59-A63 PolarHBondContact O-N 3.04Å; C59-A63 VanDerWaalsContact O-N 3.09Å; C59-F69 HydrophobicContact CB-CD2 3.91Å; C59-F69 HydrophobicContact CB-CE2 4.19Å; C59-C72 WeakPolarHBondContact CA-SG 3.44Å; C59-C72 HydrophobicContact CB-CB 3.55Å; C59-C72 WeakPolarHBondContact CB-SG 3.3Å; C59-C72 WeakPolarHBondContact SG-CB 3.31Å; C59-C72 CovalentContact SG-SG 2.03Å; C59-C72 PolarHBondContact SG-SG 3.26Å; C59-C76 PolarHBondContact SG-SG 2.83Å
60S95.2Very high95Very high3 Ų337.3 Ų37.32%0.02120%0.195CC..Hα-helixtrans-69.1-40.7-178.4-143.70000112.6N33 Y35 V36 Y56 L57 G58 N62 A63N33-S60 WeakPolarHBondContact ND2-CB 3.47Å; N33-S60 PolarHBondContact ND2-OG 3.02Å; N33-S60 VanDerWaalsContact ND2-OG 3.11Å; N33-S60 PolarHBondContact OD1-OG 2.5Å; Y35-S60 WeakPolarHBondContact CB-OG 3.45Å; V36-S60 VanDerWaalsContact CB-OG 3.29Å; V36-S60 WeakPolarHBondContact CB-OG 3.32Å; V36-S60 PolarHBondContact N-OG 3.5Å; Y56-S60 WeakPolarHBondContact O-CB 3.26Å; Y56-S60 PolarHBondContact O-N 2.91Å; L57-S60 WeakPolarHBondContact O-CB 3.06Å; L57-S60 PolarHBondContact O-N 3.28Å; L57-S60 VanDerWaalsContact O-N 3.15Å; G58-S60 VanDerWaalsContact C-N 3.28Å; G58-S60 PolarHBondContact O-N 2.68Å; S60-N62 VanDerWaalsContact C-N 3.3Å; S60-N62 PolarHBondContact O-N 3.41Å; S60-A63 PolarHBondContact O-N 3.25Å
61H93.3Very high95.2Very high102 Ų10242.2 Ų42.247%0.47222%0.221SC..Hα-helixtrans-61.3-38.4175.7177.4-82.1000112.1L57 G58 I94L57-H61 WeakPolarHBondContact O-CB 3.03Å; L57-H61 PolarHBondContact O-N 2.68Å; G58-H61 PolarHBondContact O-N 3.01Å; H61-I94 HydrophobicContact CB-CD1 3.77Å
62N93.7Very high95.3Very high99 Ų9942.7 Ų42.753%0.52923%0.226SC..Hα-helixtrans-88.8-10.4-177.5-67.5-34000114.1G58 C59 S60G58-N62 PolarHBondContact O-N 3.24Å; G58-N62 VanDerWaalsContact O-N 3.13Å; G58-N62 PolarHBondContact O-ND2 3.29Å; G58-N62 VanDerWaalsContact O-ND2 3.16Å; C59-N62 PolarHBondContact O-N 3.02Å; S60-N62 VanDerWaalsContact C-N 3.3Å; S60-N62 PolarHBondContact O-N 3.41Å
63A95Very high95.4Very high12 Ų1244 Ų4410%0.09923%0.23CC..  trans-80135.1-177.900000111.3Y35 C59 S60 E68 F69Y35-A63 HydrophobicContact CD2-CB 3.86Å; Y35-A63 HydrophobicContact CE2-CB 4.09Å; Y35-A63 WeakPolarHBondContact CE2-O 3.34Å; C59-A63 VanDerWaalsContact O-CB 3.31Å; C59-A63 WeakPolarHBondContact O-CB 3.47Å; C59-A63 PolarHBondContact O-N 3.04Å; C59-A63 VanDerWaalsContact O-N 3.09Å; S60-A63 PolarHBondContact O-N 3.25Å; A63-E68 HydrophobicContact CB-CB 4.14Å; A63-F69 HydrophobicContact CB-CB 3.83Å
64T95.2Very high95.4Very high107 Ų10748.2 Ų48.266%0.65626%0.257SS*.SBendtrans-101.9-5.8169.865.10000112.9Y35 E68Y35-T64 PolarHBondContact OH-O 3.33Å; Y35-T64 VanDerWaalsContact OH-O 3.07Å; T64-E68 PolarHBondContact N-OE2 3.24Å; T64-E68 PolarHBondContact OG1-OE2 3.24Å
65K96.3Very high95.4Very high110 Ų11053.3 Ų53.348%0.47828%0.279SS..SBendtrans-159.7155.3177.856.8-175.5172.4-169.30110.7Y35 S67 E68 F69Y35-K65 WeakPolarHBondContact OH-CA 3.34Å; Y35-K65 PolarHBondContact OH-N 3.38Å; K65-S67 VanDerWaalsContact C-N 3.27Å; K65-S67 WeakPolarHBondContact CD-OG 3.27Å; K65-S67 WeakPolarHBondContact CE-OG 3.49Å; K65-S67 PolarHBondContact O-N 3.28Å; K65-S67 VanDerWaalsContact O-N 3.12Å; K65-E68 HydrophobicContact CD-CG 4.45Å; K65-E68 WeakPolarHBondContact CE-OE1 3.19Å; K65-E68 HydrophobicContact CG-CB 4.36Å; K65-E68 HydrophobicContact CG-CG 3.83Å; K65-E68 IonicContact NZ-OE1 3.86Å; K65-E68 WeakPolarHBondContact O-CB 3.46Å; K65-E68 PolarHBondContact O-N 2.87Å; K65-F69 PolarHBondContact O-N 2.05Å
66Q96.3Very high95.4Very high78 Ų7853.3 Ų53.336%0.36428%0.279SS..Hα-helixtrans-50.9-41.3-178-17264.150.500113.8Y35 E68 F69 D70Y35-Q66 HydrophobicContact CD1-CB 4.27Å; Y35-Q66 HydrophobicContact CE1-CB 4.48Å; Q66-E68 VanDerWaalsContact C-N 3.26Å; Q66-E68 PolarHBondContact O-N 2.96Å; Q66-F69 VanDerWaalsContact NE2-CD1 3.33Å; Q66-F69 WeakPolarHBondContact O-CB 3Å; Q66-F69 PolarHBondContact O-N 3.31Å; Q66-D70 PolarHBondContact NE2-OD1 3.41Å; Q66-D70 VanDerWaalsContact O-CG 3.25Å; Q66-D70 PolarHBondContact O-N 3.05Å
67S97.3Very high95.2Very high55 Ų5556.7 Ų56.739%0.38530%0.298SS..Hα-helixtrans-63.4-29.6-17963.30000113.8K65 N71K65-S67 VanDerWaalsContact C-N 3.27Å; K65-S67 WeakPolarHBondContact CD-OG 3.27Å; K65-S67 WeakPolarHBondContact CE-OG 3.49Å; K65-S67 PolarHBondContact O-N 3.28Å; K65-S67 VanDerWaalsContact O-N 3.12Å; S67-N71 WeakPolarHBondContact O-CB 3.42Å; S67-N71 PolarHBondContact O-N 2.91Å; S67-N71 VanDerWaalsContact O-N 3.12Å; S67-N71 PolarHBondContact O-ND2 2.76Å
68E96.8Very high95Very high72 Ų7259.1 Ų59.134%0.33633%0.325SS..Hα-helixtrans-72.6-42.7176.5-71.9172.6175.900110.6A63 T64 K65 Q66 N71 C72A63-E68 HydrophobicContact CB-CB 4.14Å; T64-E68 PolarHBondContact N-OE2 3.24Å; T64-E68 PolarHBondContact OG1-OE2 3.24Å; K65-E68 HydrophobicContact CD-CG 4.45Å; K65-E68 WeakPolarHBondContact CE-OE1 3.19Å; K65-E68 HydrophobicContact CG-CB 4.36Å; K65-E68 HydrophobicContact CG-CG 3.83Å; K65-E68 IonicContact NZ-OE1 3.86Å; K65-E68 WeakPolarHBondContact O-CB 3.46Å; K65-E68 PolarHBondContact O-N 2.87Å; Q66-E68 VanDerWaalsContact C-N 3.26Å; Q66-E68 PolarHBondContact O-N 2.96Å; E68-N71 PolarHBondContact O-N 3.38Å; E68-C72 WeakPolarHBondContact O-CB 3.47Å; E68-C72 PolarHBondContact O-N 3.02Å
69F96.9Very high94.6Very high0 Ų060.8 Ų60.80%034%0.343CS..Hα-helixtrans-57.9-51171.3173.5-96.2000111Y35 V36 Y56 C59 A63 K65 Q66 N71 C72 K73Y35-F69 HydrophobicContact CG-CB 4.34Å; Y35-F69 VanDerWaalsContact O-CE1 3.25Å; Y35-F69 WeakPolarHBondContact O-CE1 3.13Å; V36-F69 HydrophobicContact CB-CE2 4.06Å; V36-F69 HydrophobicContact CB-CZ 4.25Å; V36-F69 HydrophobicContact CG2-CE2 4.39Å; V36-F69 HydrophobicContact CG2-CZ 4.4Å; Y56-F69 HydrophobicContact CD1-CZ 4.3Å; C59-F69 HydrophobicContact CB-CD2 3.91Å; C59-F69 HydrophobicContact CB-CE2 4.19Å; A63-F69 HydrophobicContact CB-CB 3.83Å; K65-F69 PolarHBondContact O-N 2.05Å; Q66-F69 VanDerWaalsContact NE2-CD1 3.33Å; Q66-F69 WeakPolarHBondContact O-CB 3Å; Q66-F69 PolarHBondContact O-N 3.31Å; F69-N71 VanDerWaalsContact C-N 3.34Å; F69-N71 PolarHBondContact O-N 3.2Å; F69-C72 CarbonylContact O-C 3.58Å; F69-C72 PolarHBondContact O-N 3.43Å; F69-C72 VanDerWaalsContact O-N 3.08Å; F69-K73 HydrophobicContact CE1-CB 4.28Å; F69-K73 HydrophobicContact CE1-CD 3.81Å; F69-K73 HydrophobicContact CE1-CG 4.48Å; F69-K73 HydrophobicContact CZ-CB 4.42Å; F69-K73 HydrophobicContact CZ-CD 4.18Å; F69-K73 VanDerWaalsContact O-CB 3.28Å; F69-K73 WeakPolarHBondContact O-CB 3.38Å; F69-K73 PolarHBondContact O-N 3.32Å
70D96.4Very high93.8Very high68 Ų6866.2 Ų66.236%0.36438%0.375SS..Hα-helixtrans-60.6-41.7-177.7-64.9-20.7000112.4Q66 C72 K73 T74Q66-D70 PolarHBondContact NE2-OD1 3.41Å; Q66-D70 VanDerWaalsContact O-CG 3.25Å; Q66-D70 PolarHBondContact O-N 3.05Å; D70-C72 VanDerWaalsContact C-N 3.33Å; D70-C72 PolarHBondContact O-N 3.37Å; D70-K73 PolarHBondContact O-N 3.38Å; D70-T74 PolarHBondContact O-N 3.28Å; D70-T74 PolarHBondContact O-OG1 3.01Å
71N96Very high93Very high109 Ų10968.7 Ų68.758%0.58339%0.386SS*.Hα-helixtrans-63.9-38.1175.8-77.1-28.7000112.2S67 E68 F69S67-N71 WeakPolarHBondContact O-CB 3.42Å; S67-N71 PolarHBondContact O-N 2.91Å; S67-N71 VanDerWaalsContact O-N 3.12Å; S67-N71 PolarHBondContact O-ND2 2.76Å; E68-N71 PolarHBondContact O-N 3.38Å; F69-N71 VanDerWaalsContact C-N 3.34Å; F69-N71 PolarHBondContact O-N 3.2Å
72C95.8Very high92.7Very high30 Ų3065.7 Ų65.720%0.20337%0.374CS..Hα-helixtrans-72.7-47.2177-175.20000111.2C59 E68 F69 D70 T74 K75 C76C59-C72 WeakPolarHBondContact CA-SG 3.44Å; C59-C72 HydrophobicContact CB-CB 3.55Å; C59-C72 WeakPolarHBondContact CB-SG 3.3Å; C59-C72 WeakPolarHBondContact SG-CB 3.31Å; C59-C72 CovalentContact SG-SG 2.03Å; C59-C72 PolarHBondContact SG-SG 3.26Å; E68-C72 WeakPolarHBondContact O-CB 3.47Å; E68-C72 PolarHBondContact O-N 3.02Å; F69-C72 CarbonylContact O-C 3.58Å; F69-C72 PolarHBondContact O-N 3.43Å; F69-C72 VanDerWaalsContact O-N 3.08Å; D70-C72 VanDerWaalsContact C-N 3.33Å; D70-C72 PolarHBondContact O-N 3.37Å; C72-T74 VanDerWaalsContact C-N 3.26Å; C72-T74 PolarHBondContact O-N 3.49Å; C72-K75 WeakPolarHBondContact O-CA 3.46Å; C72-K75 VanDerWaalsContact O-CB 3.29Å; C72-K75 WeakPolarHBondContact O-CB 2.9Å; C72-K75 PolarHBondContact O-N 3.44Å; C72-C76 PolarHBondContact O-N 3.28Å
73K95Very high92.6Very high44 Ų4463.8 Ų63.819%0.19137%0.366CS..Hα-helixtrans-51.9-42.7175.1-179.1-172.9175.9-60.60112.1N39 Y56 F69 D70 K75 C76 D77N39-K73 WeakPolarHBondContact OD1-CE 3.34Å; Y56-K73 HydrophobicContact CD1-CG 4.43Å; Y56-K73 HydrophobicContact CE1-CD 3.94Å; Y56-K73 VanDerWaalsContact CE1-CE 3.49Å; Y56-K73 HydrophobicContact CE1-CG 3.84Å; Y56-K73 HydrophobicContact CE2-CG 3.91Å; Y56-K73 WeakPolarHBondContact OH-CE 3.35Å; Y56-K73 PolarHBondContact OH-NZ 3Å; F69-K73 HydrophobicContact CE1-CB 4.28Å; F69-K73 HydrophobicContact CE1-CD 3.81Å; F69-K73 HydrophobicContact CE1-CG 4.48Å; F69-K73 HydrophobicContact CZ-CB 4.42Å; F69-K73 HydrophobicContact CZ-CD 4.18Å; F69-K73 VanDerWaalsContact O-CB 3.28Å; F69-K73 WeakPolarHBondContact O-CB 3.38Å; F69-K73 PolarHBondContact O-N 3.32Å; D70-K73 PolarHBondContact O-N 3.38Å; K73-K75 PolarHBondContact O-N 3.1Å; K73-C76 WeakPolarHBondContact O-CA 3.26Å; K73-C76 VanDerWaalsContact O-CB 3.29Å; K73-C76 WeakPolarHBondContact O-CB 3.48Å; K73-C76 PolarHBondContact O-N 3.12Å; K73-D77 IonicContact NZ-OD1 2.68Å; K73-D77 IonicContact NZ-OD2 3.16Å; K73-D77 PolarHBondContact NZ-OD2 3.05Å; K73-D77 PolarHBondContact O-N 3.37Å
74T95.5Very high92.5Very high94 Ų9467 Ų6758%0.57738%0.377SS*.Hα-helixtrans-58.1-31.8177.1-57.10000112.3D70 C72 G78D70-T74 PolarHBondContact O-N 3.28Å; D70-T74 PolarHBondContact O-OG1 3.01Å; C72-T74 VanDerWaalsContact C-N 3.26Å; C72-T74 PolarHBondContact O-N 3.49Å; T74-G78 PolarHBondContact O-N 3.45Å
75K94.5Very high92.4Very high110 Ų11068.2 Ų68.248%0.47838%0.376SS..Hα-helixtrans-76.3-33.5175.4-57174.8-176.6174.40112.4C72 K73 G79 V80 Q81C72-K75 WeakPolarHBondContact O-CA 3.46Å; C72-K75 VanDerWaalsContact O-CB 3.29Å; C72-K75 WeakPolarHBondContact O-CB 2.9Å; C72-K75 PolarHBondContact O-N 3.44Å; K73-K75 PolarHBondContact O-N 3.1Å; K75-G79 PolarHBondContact O-N 2.88Å; K75-V80 PolarHBondContact O-N 3.1Å; K75-Q81 HydrophobicContact CB-CG 4.01Å
76C94.6Very high92.3Very high1 Ų164.2 Ų64.21%0.00736%0.363CS..Hα-helixtrans-63.1-47.1171.1-54.60000110.5C55 Y56 C59 C72 K73 G78 G79C55-C76 VanDerWaalsContact C-SG 3.51Å; C55-C76 HydrophobicContact CB-CB 3.77Å; C55-C76 WeakPolarHBondContact CB-SG 3.47Å; C55-C76 VanDerWaalsContact SG-CA 3.52Å; C55-C76 WeakPolarHBondContact SG-CB 3.38Å; C55-C76 CovalentContact SG-SG 2.03Å; C55-C76 PolarHBondContact SG-SG 3.27Å; Y56-C76 HydrophobicContact CD2-CB 3.73Å; Y56-C76 HydrophobicContact CE2-CB 3.64Å; C59-C76 PolarHBondContact SG-SG 2.83Å; C72-C76 PolarHBondContact O-N 3.28Å; K73-C76 WeakPolarHBondContact O-CA 3.26Å; K73-C76 VanDerWaalsContact O-CB 3.29Å; K73-C76 WeakPolarHBondContact O-CB 3.48Å; K73-C76 PolarHBondContact O-N 3.12Å; C76-G78 VanDerWaalsContact C-N 3.34Å; C76-G78 PolarHBondContact O-N 3.48Å; C76-G79 PolarHBondContact O-N 2.97Å
77D92.4Very high92.2Very high86 Ų8660.6 Ų60.646%0.4635%0.346SS..Hα-helixtrans-64.9-37.6179.8-66.8-21.3000112.3Y56 K73 G79Y56-D77 WeakPolarHBondContact CE2-OD1 3.06Å; Y56-D77 PolarHBondContact OH-OD1 3.01Å; Y56-D77 PolarHBondContact OH-OD2 2.77Å; K73-D77 IonicContact NZ-OD1 2.68Å; K73-D77 IonicContact NZ-OD2 3.16Å; K73-D77 PolarHBondContact NZ-OD2 3.05Å; K73-D77 PolarHBondContact O-N 3.37Å; D77-G79 PolarHBondContact O-N 3.33Å
78G89.2Confident92.1Very high58 Ų5860.4 Ų60.460%0.59834%0.341SS*.THydrogen-bonded Turntrans-74.8-1.5177.200000114.9T74 C76 V80T74-G78 PolarHBondContact O-N 3.45Å; C76-G78 VanDerWaalsContact C-N 3.34Å; C76-G78 PolarHBondContact O-N 3.48Å; G78-V80 PolarHBondContact O-N 3.07Å; G78-V80 VanDerWaalsContact O-N 3.17Å
79G85.2Confident92Very high36 Ų3660.7 Ų60.737%0.37135%0.351SS..THydrogen-bonded Turntrans78.3-10.5178.700000115.6K75 C76 D77 Q81 L82K75-G79 PolarHBondContact O-N 2.88Å; C76-G79 PolarHBondContact O-N 2.97Å; D77-G79 PolarHBondContact O-N 3.33Å; G79-Q81 PolarHBondContact O-N 2.89Å; G79-L82 PolarHBondContact O-N 3.41Å
80V78.5Confident91.9Very high117 Ų11761.6 Ų61.671%0.70936%0.355SS*.THydrogen-bonded Turntrans-62.9-29.5-173.5179.90000112.3K75 G78K75-V80 PolarHBondContact O-N 3.1Å; G78-V80 PolarHBondContact O-N 3.07Å; G78-V80 VanDerWaalsContact O-N 3.17Å
81Q79.4Confident91.7Very high54 Ų5458.3 Ų58.325%0.25234%0.338SS..THydrogen-bonded Turntrans-100.68.1178.1-68.7-164.4-12.200114C55 K75 G79 T83 A86C55-Q81 PolarHBondContact SG-OE1 3.11Å; K75-Q81 HydrophobicContact CB-CG 4.01Å; G79-Q81 PolarHBondContact O-N 2.89Å; Q81-T83 PolarHBondContact O-N 3.46Å; Q81-A86 WeakPolarHBondContact O-CB 3.29Å
82L87.6Confident91.6Very high40 Ų4055 Ų5521%0.20933%0.33CS..  trans-89.759.2-179.3-52.8-175.2000110.1Q51 T52 C55 G79Q51-L82 HydrophobicContact CB-CB 4.3Å; Q51-L82 HydrophobicContact CB-CD2 4.02Å; Q51-L82 VanDerWaalsContact OE1-C 3.31Å; Q51-L82 PolarHBondContact OE1-O 3.02Å; T52-L82 WeakPolarHBondContact OG1-CD1 3.39Å; C55-L82 HydrophobicContact CB-CD2 4.35Å; G79-L82 PolarHBondContact O-N 3.41Å
83T90.9Very high91.4Very high58 Ų5857 Ų5736%0.35634%0.338SS..SBendtrans-106.5158.6168.586.30000110Q81 E85 A86 C87Q81-T83 PolarHBondContact O-N 3.46Å; T83-E85 VanDerWaalsContact C-N 3.28Å; T83-E85 WeakPolarHBondContact CB-OE2 3.45Å; T83-E85 PolarHBondContact O-N 3.34Å; T83-E85 PolarHBondContact OG1-N 3.05Å; T83-E85 PolarHBondContact OG1-OE2 3.17Å; T83-A86 PolarHBondContact O-N 2.82Å; T83-A86 PolarHBondContact OG1-N 3.01Å; T83-A86 VanDerWaalsContact OG1-N 3.14Å; T83-C87 WeakPolarHBondContact O-CB 3.48Å; T83-C87 PolarHBondContact O-N 3.44Å
84K92.6Very high91.1Very high80 Ų8056.5 Ų56.535%0.34834%0.337SS..Hα-helixtrans-57.6-44.8174.5179.2172.7-178.5-169.90110.6A86 C87 L88 D102 C105K84-A86 PolarHBondContact O-N 3.24Å; K84-C87 PolarHBondContact O-N 3.2Å; K84-L88 HydrophobicContact CG-CD1 4.14Å; K84-L88 HydrophobicContact CG-CG 4.26Å; K84-L88 VanDerWaalsContact O-CG 3.31Å; K84-L88 WeakPolarHBondContact O-CG 3.46Å; K84-L88 PolarHBondContact O-N 3.19Å; K84-D102 VanDerWaalsContact CE-OD1 3.25Å; K84-D102 WeakPolarHBondContact CE-OD1 3.3Å; K84-D102 IonicContact NZ-OD1 3.6Å; K84-D102 PolarHBondContact NZ-OD1 3.02Å; K84-C105 HydrophobicContact CG-CB 4.37Å; K84-C105 WeakPolarHBondContact CG-O 3.11Å
85E94Very high90.7Very high133 Ų13352.7 Ų52.762%0.62131%0.314SS*.Hα-helixtrans-63.3-44-177.7-58.272.9-157.700112T83 L88 S89T83-E85 VanDerWaalsContact C-N 3.28Å; T83-E85 WeakPolarHBondContact CB-OE2 3.45Å; T83-E85 PolarHBondContact O-N 3.34Å; T83-E85 PolarHBondContact OG1-N 3.05Å; T83-E85 PolarHBondContact OG1-OE2 3.17Å; E85-L88 PolarHBondContact O-N 3.47Å; E85-S89 PolarHBondContact O-N 2.89Å
86A93Very high90.3Very high26 Ų2651 Ų5122%0.21531%0.312CS..Hα-helixtrans-65-41.3176.300000111.4Q81 T83 K84 S89 N90Q81-A86 WeakPolarHBondContact O-CB 3.29Å; T83-A86 PolarHBondContact O-N 2.82Å; T83-A86 PolarHBondContact OG1-N 3.01Å; T83-A86 VanDerWaalsContact OG1-N 3.14Å; K84-A86 PolarHBondContact O-N 3.24Å; A86-S89 PolarHBondContact O-N 3.46Å; A86-N90 WeakPolarHBondContact O-CB 3.47Å; A86-N90 PolarHBondContact O-N 3Å; A86-N90 PolarHBondContact O-ND2 3.06Å; A86-N90 VanDerWaalsContact O-ND2 3.11Å
87C94.6Very high90Very high1 Ų152.7 Ų52.71%0.00732%0.32CS..Hα-helixtrans-62.3-46.2174.4179.20000111.8Q51 T83 K84 S89 N90 C91 C105Q51-C87 HydrophobicContact CB-CB 4.17Å; Q51-C87 HydrophobicContact CG-CB 3.83Å; T83-C87 WeakPolarHBondContact O-CB 3.48Å; T83-C87 PolarHBondContact O-N 3.44Å; K84-C87 PolarHBondContact O-N 3.2Å; C87-S89 VanDerWaalsContact C-N 3.31Å; C87-S89 PolarHBondContact O-N 2.03Å; C87-N90 PolarHBondContact O-N 3.25Å; C87-C91 WeakPolarHBondContact O-CB 3.4Å; C87-C91 PolarHBondContact O-N 3.49Å; C87-C105 HydrophobicContact CB-CB 3.58Å; C87-C105 WeakPolarHBondContact CB-SG 3.25Å; C87-C105 PolarHBondContact O-SG 3.39Å; C87-C105 VanDerWaalsContact O-SG 3.39Å; C87-C105 WeakPolarHBondContact SG-CA 3.26Å; C87-C105 WeakPolarHBondContact SG-CB 3.37Å; C87-C105 CovalentContact SG-SG 2.04Å; C87-C105 PolarHBondContact SG-SG 2.74Å
88L95.1Very high89.8Confident51 Ų5152.2 Ų52.227%0.26732%0.322SS..Hα-helixtrans-58-45.2177.6-73.1175.6000111.3K84 E85 G92 C101 C105K84-L88 HydrophobicContact CG-CD1 4.14Å; K84-L88 HydrophobicContact CG-CG 4.26Å; K84-L88 VanDerWaalsContact O-CG 3.31Å; K84-L88 WeakPolarHBondContact O-CG 3.46Å; K84-L88 PolarHBondContact O-N 3.19Å; E85-L88 PolarHBondContact O-N 3.47Å; L88-G92 PolarHBondContact O-N 3.18Å; L88-C101 VanDerWaalsContact CD2-C 3.48Å; L88-C101 HydrophobicContact CD2-CB 3.7Å; L88-C105 HydrophobicContact CD2-CB 3.95Å; L88-C105 HydrophobicContact CG-CB 4.14Å; L88-C105 PolarHBondContact N-SG 2.86Å; L88-C105 VanDerWaalsContact N-SG 3.4Å
89S94.6Very high89.7Confident78 Ų7854.7 Ų54.755%0.54532%0.318SS..Hα-helixtrans-62-46.9177.1-174.10000111.7E85 A86 C87 L93E85-S89 PolarHBondContact O-N 2.89Å; A86-S89 PolarHBondContact O-N 3.46Å; C87-S89 VanDerWaalsContact C-N 3.31Å; C87-S89 PolarHBondContact O-N 2.03Å; S89-L93 WeakPolarHBondContact O-CG 3.43Å; S89-L93 PolarHBondContact O-N 2.87Å
90N94.5Very high89.8Confident19 Ų1953.3 Ų53.310%0.10230%0.302CS..Hα-helixtrans-68.3-43.2-179.8-74.6-40.1000111.7Y54 A86 C87 G92 L93 I94Y54-N90 VanDerWaalsContact O-CB 3.32Å; Y54-N90 WeakPolarHBondContact O-CB 3.49Å; A86-N90 WeakPolarHBondContact O-CB 3.47Å; A86-N90 PolarHBondContact O-N 3Å; A86-N90 PolarHBondContact O-ND2 3.06Å; A86-N90 VanDerWaalsContact O-ND2 3.11Å; C87-N90 PolarHBondContact O-N 3.25Å; N90-G92 VanDerWaalsContact C-N 3.34Å; N90-G92 PolarHBondContact O-N 3.18Å; N90-L93 WeakPolarHBondContact O-CB 3.28Å; N90-L93 PolarHBondContact O-N 2.88Å; N90-L93 VanDerWaalsContact O-N 3.14Å; N90-I94 WeakPolarHBondContact O-CG1 3.07Å; N90-I94 PolarHBondContact O-N 3.46Å
91C93.4Very high90.4Very high0 Ų047.9 Ų47.90%027%0.269CS..Hα-helixtrans-56.7-48.3175.7172.80000110.9Y54 C87 L93 I94 T95 C101Y54-C91 VanDerWaalsContact CD1-CA 3.47Å; Y54-C91 HydrophobicContact CD1-CB 3.75Å; Y54-C91 HydrophobicContact CD2-CB 4.11Å; Y54-C91 HydrophobicContact CE1-CB 3.88Å; Y54-C91 HydrophobicContact CE2-CB 4.27Å; Y54-C91 HydrophobicContact CG-CB 3.86Å; C87-C91 WeakPolarHBondContact O-CB 3.4Å; C87-C91 PolarHBondContact O-N 3.49Å; C91-L93 PolarHBondContact O-N 3.32Å; C91-L93 VanDerWaalsContact O-N 3.13Å; C91-I94 PolarHBondContact O-N 3.4Å; C91-T95 VanDerWaalsContact O-CG2 3.26Å; C91-T95 WeakPolarHBondContact O-CG2 3.49Å; C91-T95 PolarHBondContact O-N 2.86Å; C91-C101 VanDerWaalsContact C-SG 3.52Å; C91-C101 HydrophobicContact CB-CB 3.71Å; C91-C101 WeakPolarHBondContact CB-SG 3.48Å; C91-C101 WeakPolarHBondContact SG-CA 3.25Å; C91-C101 WeakPolarHBondContact SG-CB 3.44Å; C91-C101 CovalentContact SG-SG 2.04Å; C91-C101 PolarHBondContact SG-SG 3.25Å
92G92.8Very high91Very high40 Ų4049.8 Ų49.841%0.41228%0.281SS..Hα-helixtrans-63.6-16178.300000115.7L88 N90L88-G92 PolarHBondContact O-N 3.18Å; N90-G92 VanDerWaalsContact C-N 3.34Å; N90-G92 PolarHBondContact O-N 3.18Å
93L91Very high91Very high71 Ų7149.9 Ų49.937%0.37229%0.288SS..Hα-helixtrans-81.7-25.1170.8-67.1172.6000112.6S89 N90 C91S89-L93 WeakPolarHBondContact O-CG 3.43Å; S89-L93 PolarHBondContact O-N 2.87Å; N90-L93 WeakPolarHBondContact O-CB 3.28Å; N90-L93 PolarHBondContact O-N 2.88Å; N90-L93 VanDerWaalsContact O-N 3.14Å; C91-L93 PolarHBondContact O-N 3.32Å; C91-L93 VanDerWaalsContact O-N 3.13Å
94I90.1Very high90.9Very high34 Ų3447.4 Ų47.417%0.17427%0.272CS..Hα-helixtrans-100.3-36.2-170.4-59.3-58000111.6Y54 L57 H61 N90 C91 Y118Y54-I94 HydrophobicContact CD1-CB 4.47Å; Y54-I94 HydrophobicContact CE1-CB 4.46Å; Y54-I94 HydrophobicContact CE1-CG2 4.46Å; L57-I94 HydrophobicContact CB-CD1 3.85Å; L57-I94 HydrophobicContact CB-CG1 3.79Å; L57-I94 HydrophobicContact CB-CG2 4.46Å; L57-I94 HydrophobicContact CD1-CG2 4Å; H61-I94 HydrophobicContact CB-CD1 3.77Å; N90-I94 WeakPolarHBondContact O-CG1 3.07Å; N90-I94 PolarHBondContact O-N 3.46Å; C91-I94 PolarHBondContact O-N 3.4Å; I94-Y118 HydrophobicContact CG2-CE2 4.18Å
95T87.7Confident90.8Very high14 Ų1443.6 Ų43.69%0.08626%0.256CS..  trans-93.1149.3-174.6-172.30000112.8C91 H97 P98 D121C91-T95 VanDerWaalsContact O-CG2 3.26Å; C91-T95 WeakPolarHBondContact O-CG2 3.49Å; C91-T95 PolarHBondContact O-N 2.86Å; T95-H97 VanDerWaalsContact C-N 3.3Å; T95-H97 PolarHBondContact OG1-N 2.96Å; T95-H97 PolarHBondContact OG1-O 3.49Å; T95-P98 HydrophobicContact CG2-CB 4.46Å; T95-D121 VanDerWaalsContact CA-OD2 3.25Å; T95-D121 WeakPolarHBondContact CA-OD2 3Å; T95-D121 WeakPolarHBondContact CB-OD2 3.4Å; T95-D121 PolarHBondContact OG1-OD1 2.66Å; T95-D121 PolarHBondContact OG1-OD2 2.86Å
96T85.9Confident90.3Very high73 Ų7340.1 Ų40.145%0.44826%0.256SS..SBendtrans-86-716453.20000112.7P98 D121 T125T96-P98 VanDerWaalsContact C-CD 3.48Å; T96-P98 VanDerWaalsContact O-CD 3.31Å; T96-P98 WeakPolarHBondContact O-CD 3.46Å; T96-D121 PolarHBondContact N-OD1 3.43Å; T96-D121 PolarHBondContact OG1-OD1 3.44Å; T96-T125 HydrophobicContact CG2-CG2 3.92Å
97H87.3Confident89.6Confident38 Ų3840.3 Ų40.318%0.17626%0.26CS..  trans-12069.4-177.6-67.6-75.7000112T95 E99 L100 D121 F138T95-H97 VanDerWaalsContact C-N 3.3Å; T95-H97 PolarHBondContact OG1-N 2.96Å; T95-H97 PolarHBondContact OG1-O 3.49Å; H97-E99 VanDerWaalsContact CA-OE2 3.28Å; H97-E99 WeakPolarHBondContact CA-OE2 3.29Å; H97-E99 WeakPolarHBondContact CB-OE1 3.03Å; H97-E99 IonicContact CG-OE1 2.82Å; H97-E99 IonicContact ND1-OE1 2.66Å; H97-E99 PolarHBondContact ND1-OE1 2.89Å; H97-E99 VanDerWaalsContact ND1-OE1 3.16Å; H97-E99 PolarHBondContact O-N 3.47Å; H97-L100 HydrophobicContact CB-CD1 4.02Å; H97-L100 HydrophobicContact CB-CG 4.07Å; H97-L100 WeakPolarHBondContact O-CB 3.42Å; H97-L100 PolarHBondContact O-N 3.28Å; H97-D121 IonicContact CD2-OD1 3.7Å; H97-D121 PolarHBondContact CD2-OD1 3.08Å; H97-D121 PolarHBondContact N-OD1 2.97Å; H97-F138 HydrophobicContact CB-CE1 4.29Å; H97-F138 HydrophobicContact CB-CE2 4.28Å; H97-F138 HydrophobicContact CB-CZ 3.63Å; H97-F138 AromaticContact CD2-CD2 3.87Å; H97-F138 AromaticContact CD2-CE2 3.39Å; H97-F138 WeakPolarHBondContact CD2-CE2 3.29Å; H97-F138 AromaticContact CD2-CZ 3.46Å; H97-F138 VanDerWaalsContact CD2-CZ 3.46Å; H97-F138 WeakPolarHBondContact CD2-CZ 3.33Å; H97-F138 AromaticContact CE1-CD1 3.68Å; H97-F138 AromaticContact CE1-CE1 3.61Å; H97-F138 AromaticContact CE1-CG 3.97Å; H97-F138 AromaticContact CE1-CZ 3.85Å; H97-F138 AromaticContact CG-CE1 3.66Å; H97-F138 AromaticContact CG-CE2 3.69Å; H97-F138 AromaticContact CG-CZ 3.22Å; H97-F138 AromaticContact ND1-CD1 3.93Å; H97-F138 AromaticContact ND1-CE1 3.37Å; H97-F138 WeakPolarHBondContact ND1-CE1 3.45Å; H97-F138 AromaticContact ND1-CZ 3.48Å; H97-F138 WeakPolarHBondContact ND1-CZ 3.36Å; H97-F138 AromaticContact NE2-CD2 3.75Å; H97-F138 AromaticContact NE2-CE2 3.75Å; H97-F138 AromaticContact NE2-CG 3.88Å; H97-F138 AromaticContact NE2-CZ 3.87Å
98P87.9Confident89.1Confident76 Ų7642.7 Ų42.749%0.49427%0.273SS..G310 helixtrans-61.4-19.9-174.725.8-35.4000113.7T95 T96 L100 C101T95-P98 HydrophobicContact CG2-CB 4.46Å; T96-P98 VanDerWaalsContact C-CD 3.48Å; T96-P98 VanDerWaalsContact O-CD 3.31Å; T96-P98 WeakPolarHBondContact O-CD 3.46Å; P98-L100 PolarHBondContact O-N 3.12Å; P98-C101 VanDerWaalsContact O-CB 3.3Å; P98-C101 WeakPolarHBondContact O-CB 3.42Å; P98-C101 PolarHBondContact O-N 3.43Å; P98-C101 VanDerWaalsContact O-N 3.08Å
99E87Confident88.4Confident110 Ų11046.9 Ų46.951%0.51430%0.296SS..G310 helixtrans-61.8-21.7173.172.8-79.8-172.100113.4H97 C101H97-E99 VanDerWaalsContact CA-OE2 3.28Å; H97-E99 WeakPolarHBondContact CA-OE2 3.29Å; H97-E99 WeakPolarHBondContact CB-OE1 3.03Å; H97-E99 IonicContact CG-OE1 2.82Å; H97-E99 IonicContact ND1-OE1 2.66Å; H97-E99 PolarHBondContact ND1-OE1 2.89Å; H97-E99 VanDerWaalsContact ND1-OE1 3.16Å; H97-E99 PolarHBondContact O-N 3.47Å; E99-C101 VanDerWaalsContact C-N 3.34Å
100L87.5Confident87.7Confident6 Ų645 Ų453%0.03129%0.288CS..G310 helixtrans-76-23.4174.8-65.6-174.8000112.9H97 P98 D102 A103 V104 L117 F138 K142H97-L100 HydrophobicContact CB-CD1 4.02Å; H97-L100 HydrophobicContact CB-CG 4.07Å; H97-L100 WeakPolarHBondContact O-CB 3.42Å; H97-L100 PolarHBondContact O-N 3.28Å; P98-L100 PolarHBondContact O-N 3.12Å; L100-D102 PolarHBondContact O-N 2.83Å; L100-A103 WeakPolarHBondContact O-CB 3.25Å; L100-A103 PolarHBondContact O-N 3.43Å; L100-V104 PolarHBondContact O-N 3.39Å; L100-L117 HydrophobicContact CD1-CB 4.29Å; L100-L117 HydrophobicContact CD1-CD2 4.13Å; L100-L117 HydrophobicContact CD2-CD1 4.32Å; L100-L117 HydrophobicContact CD2-CD2 4.14Å; L100-F138 HydrophobicContact CD1-CE2 4.02Å; L100-F138 HydrophobicContact CD1-CZ 3.56Å; L100-F138 HydrophobicContact CD2-CZ 4.46Å; L100-F138 HydrophobicContact CG-CZ 4.14Å; L100-K142 HydrophobicContact CD2-CD 3.68Å; L100-K142 HydrophobicContact CD2-CG 4.21Å
101C91.6Very high87.2Confident4 Ų445.4 Ų45.43%0.02730%0.297CS..Hα-helixtrans-60.5-35.1-171.8-64.40000112.3L88 C91 P98 E99 A103 V104 C105L88-C101 VanDerWaalsContact CD2-C 3.48Å; L88-C101 HydrophobicContact CD2-CB 3.7Å; C91-C101 VanDerWaalsContact C-SG 3.52Å; C91-C101 HydrophobicContact CB-CB 3.71Å; C91-C101 WeakPolarHBondContact CB-SG 3.48Å; C91-C101 WeakPolarHBondContact SG-CA 3.25Å; C91-C101 WeakPolarHBondContact SG-CB 3.44Å; C91-C101 CovalentContact SG-SG 2.04Å; C91-C101 PolarHBondContact SG-SG 3.25Å; P98-C101 VanDerWaalsContact O-CB 3.3Å; P98-C101 WeakPolarHBondContact O-CB 3.42Å; P98-C101 PolarHBondContact O-N 3.43Å; P98-C101 VanDerWaalsContact O-N 3.08Å; E99-C101 VanDerWaalsContact C-N 3.34Å; C101-A103 VanDerWaalsContact C-N 3.31Å; C101-A103 PolarHBondContact O-N 2.93Å; C101-V104 WeakPolarHBondContact O-CG2 3.44Å; C101-V104 PolarHBondContact O-N 3.17Å; C101-C105 WeakPolarHBondContact O-CB 3.42Å; C101-C105 PolarHBondContact O-N 3.37Å; C101-C105 PolarHBondContact O-SG 3.36Å; C101-C105 VanDerWaalsContact O-SG 3.37Å
102D91.4Very high86.7Confident93 Ų9347.7 Ų47.750%0.49731%0.314SS..Hα-helixtrans-65.4-33.9176-93.2-55.3000113.3K84 L100 V104K84-D102 VanDerWaalsContact CE-OD1 3.25Å; K84-D102 WeakPolarHBondContact CE-OD1 3.3Å; K84-D102 IonicContact NZ-OD1 3.6Å; K84-D102 PolarHBondContact NZ-OD1 3.02Å; L100-D102 PolarHBondContact O-N 2.83Å; D102-V104 VanDerWaalsContact C-N 3.34Å
103A87.4Confident86.4Confident43 Ų4347.4 Ų47.436%0.35530%0.301SS..Hα-helixtrans-71.3-30.7179.400000112.2L100 C101 F113 Y146L100-A103 WeakPolarHBondContact O-CB 3.25Å; L100-A103 PolarHBondContact O-N 3.43Å; C101-A103 VanDerWaalsContact C-N 3.31Å; C101-A103 PolarHBondContact O-N 2.93Å; A103-F113 HydrophobicContact CB-CE1 4.36Å; A103-F113 HydrophobicContact CB-CZ 4.34Å; A103-Y146 WeakPolarHBondContact CB-OH 3.31Å
104V89Confident86.1Confident5 Ų544.8 Ų44.83%0.0329%0.288CS..Hα-helixtrans-94.7-35.1-178.6-62.40000112.8P50 Y54 L100 C101 D102 G106 F113 P114 L117P50-V104 HydrophobicContact CB-CB 4.15Å; P50-V104 WeakPolarHBondContact CB-O 3.06Å; P50-V104 WeakPolarHBondContact CG-O 3.37Å; Y54-V104 HydrophobicContact CD2-CG2 4.32Å; Y54-V104 HydrophobicContact CE2-CB 4.24Å; Y54-V104 HydrophobicContact CE2-CG2 3.59Å; L100-V104 PolarHBondContact O-N 3.39Å; C101-V104 WeakPolarHBondContact O-CG2 3.44Å; C101-V104 PolarHBondContact O-N 3.17Å; D102-V104 VanDerWaalsContact C-N 3.34Å; V104-G106 VanDerWaalsContact C-N 3.28Å; V104-G106 PolarHBondContact O-N 2.04Å; V104-F113 HydrophobicContact CG1-CE1 4.33Å; V104-P114 HydrophobicContact CB-CB 4.39Å; V104-P114 HydrophobicContact CG1-CB 4.08Å; V104-L117 HydrophobicContact CG1-CB 4.44Å; V104-L117 HydrophobicContact CG1-CD1 3.66Å
105C91.3Very high86.1Confident0 Ų043.6 Ų43.60%028%0.282CS..THydrogen-bonded Turntrans-835.1-171.7-70.30000115.4Q51 K84 C87 L88 C101 G107Q51-C105 PolarHBondContact NE2-O 3.4Å; K84-C105 HydrophobicContact CG-CB 4.37Å; K84-C105 WeakPolarHBondContact CG-O 3.11Å; C87-C105 HydrophobicContact CB-CB 3.58Å; C87-C105 WeakPolarHBondContact CB-SG 3.25Å; C87-C105 PolarHBondContact O-SG 3.39Å; C87-C105 VanDerWaalsContact O-SG 3.39Å; C87-C105 WeakPolarHBondContact SG-CA 3.26Å; C87-C105 WeakPolarHBondContact SG-CB 3.37Å; C87-C105 CovalentContact SG-SG 2.04Å; C87-C105 PolarHBondContact SG-SG 2.74Å; L88-C105 HydrophobicContact CD2-CB 3.95Å; L88-C105 HydrophobicContact CG-CB 4.14Å; L88-C105 PolarHBondContact N-SG 2.86Å; L88-C105 VanDerWaalsContact N-SG 3.4Å; C101-C105 WeakPolarHBondContact O-CB 3.42Å; C101-C105 PolarHBondContact O-N 3.37Å; C101-C105 PolarHBondContact O-SG 3.36Å; C101-C105 VanDerWaalsContact O-SG 3.37Å; C105-G107 VanDerWaalsContact C-N 3.27Å; C105-G107 PolarHBondContact O-N 3.32Å
106G84Confident86.2Confident61 Ų6143.6 Ų43.663%0.62928%0.283SS*.THydrogen-bonded Turntrans-67.8-19-178.100000115.5V104V104-G106 VanDerWaalsContact C-N 3.28Å; V104-G106 PolarHBondContact O-N 2.04Å
107G77.8Confident86.3Confident29 Ų2940.2 Ų40.230%0.29926%0.262SS..  trans-159.8178.3178.800000111.5P50 Q51 C105P50-G107 VanDerWaalsContact CG-O 3.3Å; P50-G107 WeakPolarHBondContact CG-O 3.32Å; Q51-G107 WeakPolarHBondContact CG-O 3.01Å; C105-G107 VanDerWaalsContact C-N 3.27Å; C105-G107 PolarHBondContact O-N 3.32Å
108N83.2Confident86.5Confident51 Ų5138.7 Ų38.727%0.27325%0.254SS..  trans-117.229.8175.1-158.543.9000112.7G49 Q51 T52G49-N108 WeakPolarHBondContact CA-O 3.44Å; G49-N108 VanDerWaalsContact CA-OD1 3.24Å; G49-N108 WeakPolarHBondContact CA-OD1 3.43Å; G49-N108 PolarHBondContact O-OD1 3.43Å; Q51-N108 WeakPolarHBondContact CA-OD1 3.06Å; Q51-N108 HydrophobicContact CB-CB 4.16Å; Q51-N108 VanDerWaalsContact CB-OD1 3.31Å; Q51-N108 WeakPolarHBondContact CB-OD1 3.16Å; Q51-N108 HydrophobicContact CG-CB 4.18Å; Q51-N108 PolarHBondContact N-OD1 3.06Å; T52-N108 PolarHBondContact N-OD1 3.4Å; T52-N108 PolarHBondContact OG1-ND2 3.28Å; T52-N108 PolarHBondContact OG1-OD1 3.48Å
109D80.6Confident86.6Confident139 Ų13935.3 Ų35.374%0.74323%0.232SC*.  trans-80.7135.5172.6-61.6-40.6000109.1P50P50-D109 WeakPolarHBondContact CD-O 3.35Å
110G81.4Confident86.6Confident38 Ų3830.1 Ų30.139%0.39221%0.208SC..  trans-63.6166.3173.800000111.9G46G46-G110 CarbonylContact O-C 3.31Å; G46-G110 VanDerWaalsContact O-C 3.31Å; G46-G110 VanDerWaalsContact O-CA 3.24Å; G46-G110 WeakPolarHBondContact O-CA 3.33Å
111G82.7Confident86.6Confident28 Ų2829.9 Ų29.929%0.28921%0.207SC..  trans162.9168175.800000112.2G46 F113G46-G111 PolarHBondContact O-N 2.74Å; G111-F113 VanDerWaalsContact C-N 3.34Å
112S82.6Confident86.3Confident49 Ų4932 Ų3234%0.34322%0.216SC..Hα-helixtrans-77.5-19.9176.555.30000113I115 C116S112-I115 PolarHBondContact O-N 3.15Å; S112-C116 VanDerWaalsContact O-CB 3.31Å; S112-C116 WeakPolarHBondContact O-CB 3.48Å; S112-C116 PolarHBondContact O-N 2.58Å
113F86.5Confident85.8Confident34 Ų3431.8 Ų31.815%0.14921%0.212CC..Hα-helixtrans-63.7-51.4-175.5172-104.1000113.7A103 V104 G111 I115 C116 L117 C145 Y146 A149A103-F113 HydrophobicContact CB-CE1 4.36Å; A103-F113 HydrophobicContact CB-CZ 4.34Å; V104-F113 HydrophobicContact CG1-CE1 4.33Å; G111-F113 VanDerWaalsContact C-N 3.34Å; F113-I115 VanDerWaalsContact C-N 3.29Å; F113-I115 PolarHBondContact O-N 2.04Å; F113-C116 WeakPolarHBondContact O-CB 3.39Å; F113-C116 PolarHBondContact O-N 3.11Å; F113-L117 HydrophobicContact CD1-CD1 4.44Å; F113-L117 HydrophobicContact CE1-CD1 3.69Å; F113-L117 HydrophobicContact CE2-CD1 3.83Å; F113-L117 HydrophobicContact CE2-CG 4.06Å; F113-L117 HydrophobicContact CZ-CD1 3.35Å; F113-L117 HydrophobicContact CZ-CG 4.1Å; F113-L117 PolarHBondContact O-N 3.45Å; F113-C145 HydrophobicContact CD2-CB 4.14Å; F113-C145 WeakPolarHBondContact CD2-O 3.26Å; F113-C145 HydrophobicContact CE2-CB 4.23Å; F113-Y146 AromaticContact CE2-CD1 3.86Å; F113-Y146 HydrophobicContact CE2-CD1 3.86Å; F113-Y146 HydrophobicContact CE2-CD2 4.44Å; F113-Y146 AromaticContact CE2-CE1 3.95Å; F113-Y146 HydrophobicContact CE2-CE1 3.95Å; F113-Y146 HydrophobicContact CE2-CG 4.12Å; F113-Y146 HydrophobicContact CZ-CD1 4.08Å; F113-Y146 AromaticContact CZ-CE1 3.69Å; F113-Y146 HydrophobicContact CZ-CE1 3.69Å; F113-Y146 AromaticContact CZ-CZ 3.93Å; F113-A149 HydrophobicContact CB-CB 3.96Å; F113-A149 HydrophobicContact CD2-CB 3.62Å; F113-A149 HydrophobicContact CE2-CB 4.29Å; F113-A149 HydrophobicContact CG-CB 3.9Å
114P86.2Confident85.3Confident16 Ų1631 Ų3110%0.10420%0.201CC..Hα-helixtrans-62.8-37.2177-22.434.3000112.8P50 V104 C116 L117 Y118P50-P114 HydrophobicContact CB-CB 3.93Å; P50-P114 HydrophobicContact CB-CG 4.02Å; P50-P114 HydrophobicContact CG-CB 4.45Å; P50-P114 HydrophobicContact CG-CG 3.98Å; V104-P114 HydrophobicContact CB-CB 4.39Å; V104-P114 HydrophobicContact CG1-CB 4.08Å; P114-C116 VanDerWaalsContact C-N 3.35Å; P114-L117 PolarHBondContact O-N 3.32Å; P114-Y118 WeakPolarHBondContact O-CB 3.24Å; P114-Y118 PolarHBondContact O-N 2.84Å
115I89.3Confident84.4Confident8 Ų833.6 Ų33.64%0.04122%0.217CC..Hα-helixtrans-61.7-44.3175.8-68.8177.4000110.7A21 C25 C44 S112 F113 Y118 N119A21-I115 HydrophobicContact CB-CG2 4.36Å; C25-I115 HydrophobicContact CB-CG2 3.6Å; C44-I115 WeakPolarHBondContact O-CD1 3.17Å; S112-I115 PolarHBondContact O-N 3.15Å; F113-I115 VanDerWaalsContact C-N 3.29Å; F113-I115 PolarHBondContact O-N 2.04Å; I115-Y118 PolarHBondContact O-N 3.21Å; I115-N119 PolarHBondContact O-N 3.08Å; I115-N119 PolarHBondContact O-OD1 3.06Å
116C89.1Confident82.9Confident15 Ų1536.5 Ų36.510%0.10123%0.233CC..Hα-helixtrans-61.7-46.8177.9-1750000111.5S112 F113 P114 Y118 N119 C120 C145 M148S112-C116 VanDerWaalsContact O-CB 3.31Å; S112-C116 WeakPolarHBondContact O-CB 3.48Å; S112-C116 PolarHBondContact O-N 2.58Å; F113-C116 WeakPolarHBondContact O-CB 3.39Å; F113-C116 PolarHBondContact O-N 3.11Å; P114-C116 VanDerWaalsContact C-N 3.35Å; C116-Y118 VanDerWaalsContact C-N 3.34Å; C116-Y118 PolarHBondContact O-N 2.97Å; C116-N119 PolarHBondContact O-N 3.17Å; C116-C120 PolarHBondContact O-N 2.61Å; C116-C120 PolarHBondContact O-SG 2.96Å; C116-C145 HydrophobicContact CB-CB 3.73Å; C116-C145 WeakPolarHBondContact CB-SG 3.3Å; C116-C145 PolarHBondContact O-SG 3.44Å; C116-C145 WeakPolarHBondContact SG-CA 3.45Å; C116-C145 WeakPolarHBondContact SG-CB 3.33Å; C116-C145 CovalentContact SG-SG 2.03Å; C116-C145 PolarHBondContact SG-SG 3.14Å; C116-M148 HydrophobicContact CB-CE 3.8Å
117L89.3Confident81.3Confident1 Ų138.8 Ų38.81%0.00524%0.237CC..Hα-helixtrans-64-39.5177.5-74-176.1000112.3L100 V104 F113 P114 C120 D121 K142 C145L100-L117 HydrophobicContact CD1-CB 4.29Å; L100-L117 HydrophobicContact CD1-CD2 4.13Å; L100-L117 HydrophobicContact CD2-CD1 4.32Å; L100-L117 HydrophobicContact CD2-CD2 4.14Å; V104-L117 HydrophobicContact CG1-CB 4.44Å; V104-L117 HydrophobicContact CG1-CD1 3.66Å; F113-L117 HydrophobicContact CD1-CD1 4.44Å; F113-L117 HydrophobicContact CE1-CD1 3.69Å; F113-L117 HydrophobicContact CE2-CD1 3.83Å; F113-L117 HydrophobicContact CE2-CG 4.06Å; F113-L117 HydrophobicContact CZ-CD1 3.35Å; F113-L117 HydrophobicContact CZ-CG 4.1Å; F113-L117 PolarHBondContact O-N 3.45Å; P114-L117 PolarHBondContact O-N 3.32Å; L117-C120 PolarHBondContact O-N 3.21Å; L117-D121 WeakPolarHBondContact O-CB 3.04Å; L117-D121 PolarHBondContact O-N 3.47Å; L117-K142 HydrophobicContact CD2-CB 4.47Å; L117-K142 HydrophobicContact CD2-CG 4.12Å; L117-C145 HydrophobicContact CD2-CB 3.85Å; L117-C145 HydrophobicContact CG-CB 4.2Å
118Y90.1Very high79.9Confident6 Ų648.2 Ų48.22%0.02426%0.263CS..Hα-helixtrans-59.6-47.4173.2172.7-106.9000111.5N28 C29 F53 L57 I94 P114 I115 C116 C120 D121 Q122N28-Y118 VanDerWaalsContact C-OH 3.31Å; N28-Y118 HydrophobicContact CB-CE1 3.86Å; N28-Y118 PolarHBondContact O-OH 3.3Å; C29-Y118 VanDerWaalsContact CA-OH 3.3Å; C29-Y118 WeakPolarHBondContact CA-OH 3.41Å; C29-Y118 HydrophobicContact CB-CE1 4.41Å; C29-Y118 PolarHBondContact N-OH 3.03Å; F53-Y118 HydrophobicContact CE1-CD1 4.22Å; F53-Y118 AromaticContact CE1-CD2 3.88Å; F53-Y118 HydrophobicContact CE1-CD2 3.88Å; F53-Y118 HydrophobicContact CE1-CE2 4.32Å; F53-Y118 AromaticContact CE1-CG 3.83Å; F53-Y118 HydrophobicContact CE1-CG 3.83Å; F53-Y118 AromaticContact CZ-CD1 3.74Å; F53-Y118 HydrophobicContact CZ-CD1 3.74Å; F53-Y118 HydrophobicContact CZ-CD2 4.18Å; F53-Y118 AromaticContact CZ-CE1 3.96Å; F53-Y118 HydrophobicContact CZ-CE1 3.96Å; F53-Y118 HydrophobicContact CZ-CE2 4.41Å; F53-Y118 AromaticContact CZ-CG 3.84Å; F53-Y118 HydrophobicContact CZ-CG 3.84Å; L57-Y118 HydrophobicContact CD1-CD2 4.35Å; L57-Y118 HydrophobicContact CD1-CE2 3.83Å; I94-Y118 HydrophobicContact CG2-CE2 4.18Å; P114-Y118 WeakPolarHBondContact O-CB 3.24Å; P114-Y118 PolarHBondContact O-N 2.84Å; I115-Y118 PolarHBondContact O-N 3.21Å; C116-Y118 VanDerWaalsContact C-N 3.34Å; C116-Y118 PolarHBondContact O-N 2.97Å; Y118-C120 PolarHBondContact O-N 3.38Å; Y118-D121 PolarHBondContact O-N 2.96Å; Y118-Q122 HydrophobicContact CD1-CG 4.47Å; Y118-Q122 HydrophobicContact CD2-CG 3.99Å; Y118-Q122 HydrophobicContact CE1-CG 4.1Å; Y118-Q122 HydrophobicContact CE2-CG 3.54Å; Y118-Q122 HydrophobicContact CG-CG 4.44Å; Y118-Q122 VanDerWaalsContact O-CG 3.25Å; Y118-Q122 WeakPolarHBondContact O-CG 3.25Å; Y118-Q122 PolarHBondContact O-N 3.46Å
119N89.7Confident78.3Confident6 Ų653.1 Ų53.13%0.03228%0.282CS..Hα-helixtrans-59.9-48.8177-71.9-1000112.2A21 E24 C25 I115 C116 D121 Q122 E123A21-N119 PolarHBondContact O-ND2 3.23Å; E24-N119 WeakPolarHBondContact OE1-CB 3.39Å; C25-N119 WeakPolarHBondContact CA-OD1 3.5Å; C25-N119 WeakPolarHBondContact CB-OD1 3.38Å; C25-N119 PolarHBondContact N-OD1 2.99Å; I115-N119 PolarHBondContact O-N 3.08Å; I115-N119 PolarHBondContact O-OD1 3.06Å; C116-N119 PolarHBondContact O-N 3.17Å; N119-D121 VanDerWaalsContact C-N 3.26Å; N119-D121 PolarHBondContact O-N 2.68Å; N119-Q122 PolarHBondContact O-N 3.36Å; N119-Q122 VanDerWaalsContact O-N 3.1Å; N119-E123 WeakPolarHBondContact O-CG 3.48Å; N119-E123 PolarHBondContact O-N 2.91Å
120C87.9Confident76.7Confident1 Ų147.4 Ų47.41%0.00725%0.251CS..Hα-helixtrans-54.2-44.9176.9-66.80000111.9C116 L117 Y118 H124 F138 C141 C145C116-C120 PolarHBondContact O-N 2.61Å; C116-C120 PolarHBondContact O-SG 2.96Å; L117-C120 PolarHBondContact O-N 3.21Å; Y118-C120 PolarHBondContact O-N 3.38Å; C120-H124 PolarHBondContact O-CD2 3.16Å; C120-H124 PolarHBondContact O-N 2.97Å; C120-F138 HydrophobicContact CB-CD2 4.35Å; C120-F138 HydrophobicContact CB-CE2 4.3Å; C120-C141 WeakPolarHBondContact CA-SG 2.99Å; C120-C141 HydrophobicContact CB-CB 3.74Å; C120-C141 WeakPolarHBondContact CB-SG 3.49Å; C120-C141 WeakPolarHBondContact SG-CB 3.5Å; C120-C141 CovalentContact SG-SG 2.03Å; C120-C141 PolarHBondContact SG-SG 3.39Å; C120-C145 PolarHBondContact SG-SG 3.43Å
121D87.2Confident75.2Confident1 Ų148.5 Ų48.51%0.00526%0.262CS..Hα-helixtrans-62.5-44.6177.817270.8000112T95 T96 H97 L117 Y118 N119 H124 T125T95-D121 VanDerWaalsContact CA-OD2 3.25Å; T95-D121 WeakPolarHBondContact CA-OD2 3Å; T95-D121 WeakPolarHBondContact CB-OD2 3.4Å; T95-D121 PolarHBondContact OG1-OD1 2.66Å; T95-D121 PolarHBondContact OG1-OD2 2.86Å; T96-D121 PolarHBondContact N-OD1 3.43Å; T96-D121 PolarHBondContact OG1-OD1 3.44Å; H97-D121 IonicContact CD2-OD1 3.7Å; H97-D121 PolarHBondContact CD2-OD1 3.08Å; H97-D121 PolarHBondContact N-OD1 2.97Å; L117-D121 WeakPolarHBondContact O-CB 3.04Å; L117-D121 PolarHBondContact O-N 3.47Å; Y118-D121 PolarHBondContact O-N 2.96Å; N119-D121 VanDerWaalsContact C-N 3.26Å; N119-D121 PolarHBondContact O-N 2.68Å; D121-H124 CarbonylContact O-C 3.53Å; D121-H124 PolarHBondContact O-N 3.01Å; D121-T125 PolarHBondContact O-N 3.37Å; D121-T125 PolarHBondContact O-OG1 3.05Å
122Q85.4Confident73.7Confident47 Ų4753 Ų5322%0.2230%0.297CS..Hα-helixtrans-71.8-33.7-178.8-62.6-60-63.200113.6N28 Y118 N119 H124 T125N28-Q122 HydrophobicContact CB-CB 3.98Å; N28-Q122 HydrophobicContact CB-CG 4.09Å; Y118-Q122 HydrophobicContact CD1-CG 4.47Å; Y118-Q122 HydrophobicContact CD2-CG 3.99Å; Y118-Q122 HydrophobicContact CE1-CG 4.1Å; Y118-Q122 HydrophobicContact CE2-CG 3.54Å; Y118-Q122 HydrophobicContact CG-CG 4.44Å; Y118-Q122 VanDerWaalsContact O-CG 3.25Å; Y118-Q122 WeakPolarHBondContact O-CG 3.25Å; Y118-Q122 PolarHBondContact O-N 3.46Å; N119-Q122 PolarHBondContact O-N 3.36Å; N119-Q122 VanDerWaalsContact O-N 3.1Å; Q122-H124 VanDerWaalsContact C-N 3.3Å; Q122-T125 WeakPolarHBondContact CA-OG1 3.44Å
123E81.9Confident72.2Confident90 Ų9054.4 Ų54.442%0.42130%0.301SS..Hα-helixtrans-65.8-35.3174.5-70.7-163.6134.500111.8E24 N119E24-E123 VanDerWaalsContact OE1-CG 3.26Å; E24-E123 WeakPolarHBondContact OE1-CG 3.38Å; N119-E123 WeakPolarHBondContact O-CG 3.48Å; N119-E123 PolarHBondContact O-N 2.91Å
124H75.6Confident70.8Confident27 Ų2753.4 Ų53.413%0.12530%0.3CS..THydrogen-bonded Turntrans-103.712.6-175.5-62.8-61.5000114.4C120 D121 Q122 D126 D130 D137 F138C120-H124 PolarHBondContact O-CD2 3.16Å; C120-H124 PolarHBondContact O-N 2.97Å; D121-H124 CarbonylContact O-C 3.53Å; D121-H124 PolarHBondContact O-N 3.01Å; Q122-H124 VanDerWaalsContact C-N 3.3Å; H124-D126 VanDerWaalsContact C-N 3.28Å; H124-D126 PolarHBondContact O-N 3.04Å; H124-D130 WeakPolarHBondContact CA-OD2 3.48Å; H124-D130 WeakPolarHBondContact CB-OD2 3.48Å; H124-D130 IonicContact CE1-OD1 2.68Å; H124-D130 PolarHBondContact CE1-OD1 2.75Å; H124-D130 IonicContact CG-OD2 2.97Å; H124-D130 VanDerWaalsContact ND1-CG 3.26Å; H124-D130 IonicContact ND1-OD1 3.48Å; H124-D130 PolarHBondContact ND1-OD1 2.94Å; H124-D130 IonicContact ND1-OD2 3.86Å; H124-D130 PolarHBondContact ND1-OD2 3.39Å; H124-D137 VanDerWaalsContact CE1-CB 3.48Å; H124-D137 WeakPolarHBondContact CE1-CB 3.24Å; H124-F138 HydrophobicContact CB-CB 4.21Å; H124-F138 HydrophobicContact CB-CD2 4.29Å
125T70.1Confident69.8Low59 Ų5956.9 Ų56.936%0.36232%0.324SS..SBendtrans-68.1-26.8176.3-62.90000112.5T96 D121 Q122 P127T96-T125 HydrophobicContact CG2-CG2 3.92Å; D121-T125 PolarHBondContact O-N 3.37Å; D121-T125 PolarHBondContact O-OG1 3.05Å; Q122-T125 WeakPolarHBondContact CA-OG1 3.44Å; T125-P127 WeakPolarHBondContact O-CD 3.37Å
126D60.1Low68.7Low61 Ų6161 Ų6133%0.32634%0.344SS..  trans-101.5105.9-179.6-173.2-3.4000111.3H124 R128 K129 D130H124-D126 VanDerWaalsContact C-N 3.28Å; H124-D126 PolarHBondContact O-N 3.04Å; D126-R128 PolarHBondContact O-N 3.49Å; D126-R128 VanDerWaalsContact OD1-CB 3.24Å; D126-R128 WeakPolarHBondContact OD1-CB 3.46Å; D126-R128 WeakPolarHBondContact OD1-CG 3.39Å; D126-R128 PolarHBondContact OD1-N 3.08Å; D126-K129 HydrophobicContact CB-CB 4.21Å; D126-K129 HydrophobicContact CB-CD 4.04Å; D126-K129 HydrophobicContact CB-CG 3.91Å; D126-K129 WeakPolarHBondContact O-CB 3.45Å; D126-K129 PolarHBondContact O-N 3.35Å; D126-D130 PolarHBondContact O-N 3.12Å
127P49.7Very low68.4Low109 Ų10963.5 Ų63.571%0.70836%0.356SS*.THydrogen-bonded Turntrans-66.61.3176.427.6-34.2000113.9T125 D130T125-P127 WeakPolarHBondContact O-CD 3.37Å; P127-D130 CarbonylContact C-O 3.45Å
128R48.7Very low68.1Low227 Ų22763.8 Ų63.886%0.85736%0.357SS*.THydrogen-bonded Turntrans-93.3-24167.2-58-177.8-178.2-174.63.2113.6D126 D130D126-R128 PolarHBondContact O-N 3.49Å; D126-R128 VanDerWaalsContact OD1-CB 3.24Å; D126-R128 WeakPolarHBondContact OD1-CB 3.46Å; D126-R128 WeakPolarHBondContact OD1-CG 3.39Å; D126-R128 PolarHBondContact OD1-N 3.08Å; R128-D130 CarbonylContact C-O 3.54Å
129K50.5Low67.8Low153 Ų15367 Ų6767%0.66538%0.375SS*.THydrogen-bonded Turntrans-74.7-37.7173.6-75.7-176.9-174.9169.70110.2D126D126-K129 HydrophobicContact CB-CB 4.21Å; D126-K129 HydrophobicContact CB-CD 4.04Å; D126-K129 HydrophobicContact CB-CG 3.91Å; D126-K129 WeakPolarHBondContact O-CB 3.45Å; D126-K129 PolarHBondContact O-N 3.35Å
130D46.2Very low67.6Low20 Ų2071.1 Ų71.111%0.10739%0.392CS..SBendtrans-83.2135167-58.5-34.2000108.6H124 D126 P127 R128H124-D130 WeakPolarHBondContact CA-OD2 3.48Å; H124-D130 WeakPolarHBondContact CB-OD2 3.48Å; H124-D130 IonicContact CE1-OD1 2.68Å; H124-D130 PolarHBondContact CE1-OD1 2.75Å; H124-D130 IonicContact CG-OD2 2.97Å; H124-D130 VanDerWaalsContact ND1-CG 3.26Å; H124-D130 IonicContact ND1-OD1 3.48Å; H124-D130 PolarHBondContact ND1-OD1 2.94Å; H124-D130 IonicContact ND1-OD2 3.86Å; H124-D130 PolarHBondContact ND1-OD2 3.39Å; D126-D130 PolarHBondContact O-N 3.12Å; P127-D130 CarbonylContact C-O 3.45Å; R128-D130 CarbonylContact C-O 3.54Å
131G50.4Low67.5Low60 Ų6072.1 Ų72.162%0.61940%0.399SS*.  trans-63.3-161.1167.200000111.1D133 G134G131-D133 PolarHBondContact O-N 3.14Å; G131-G134 PolarHBondContact O-N 3.41Å
132A50.3Low67.5Low122 Ų12274.1 Ų74.1100%1.00841%0.408SS*.THydrogen-bonded Turntrans-58.51173.900000115.3
133D52.6Low67.6Low80 Ų8075.1 Ų75.143%0.42842%0.417SS..THydrogen-bonded Turntrans-122.416.1-169.4-160.619.1000114.1G131 S135 E136G131-D133 PolarHBondContact O-N 3.14Å; D133-S135 PolarHBondContact O-N 2.92Å; D133-S135 VanDerWaalsContact O-N 3.08Å; D133-E136 PolarHBondContact O-N 3.38Å; D133-E136 VanDerWaalsContact OD1-CB 3.25Å; D133-E136 WeakPolarHBondContact OD1-CB 3.49Å
134G57.1Low67.8Low13 Ų1377.4 Ų77.413%0.13443%0.426CS..Hα-helixtrans-57.7-26.5-17600000116.3G131 E136 D137 F138G131-G134 PolarHBondContact O-N 3.41Å; G134-E136 VanDerWaalsContact C-N 3.32Å; G134-E136 PolarHBondContact O-N 3.49Å; G134-D137 PolarHBondContact O-N 2.99Å; G134-F138 PolarHBondContact O-N 3.4Å; G134-F138 VanDerWaalsContact O-N 3.07Å
135S64.5Low68.3Low88 Ų8876.1 Ų76.162%0.61542%0.42SS*.Hα-helixtrans-63.8-36.6174.155.50000112.7D133 D139D133-S135 PolarHBondContact O-N 2.92Å; D133-S135 VanDerWaalsContact O-N 3.08Å; S135-D139 WeakPolarHBondContact O-CB 3.2Å; S135-D139 PolarHBondContact O-N 2.84Å
136E67.1Low69.1Low96 Ų9678.6 Ų78.645%0.44942%0.423SS..Hα-helixtrans-70.5-37.3-179.2-165.1-175.3133.700110.9D133 G134 D139 K140D133-E136 PolarHBondContact O-N 3.38Å; D133-E136 VanDerWaalsContact OD1-CB 3.25Å; D133-E136 WeakPolarHBondContact OD1-CB 3.49Å; G134-E136 VanDerWaalsContact C-N 3.32Å; G134-E136 PolarHBondContact O-N 3.49Å; E136-D139 PolarHBondContact O-N 3.27Å; E136-K140 VanDerWaalsContact O-CG 3.27Å; E136-K140 WeakPolarHBondContact O-CG 3.31Å; E136-K140 PolarHBondContact O-N 2.98Å; E136-K140 WeakPolarHBondContact OE1-CE 3.25Å; E136-K140 IonicContact OE1-NZ 3.28Å; E136-K140 PolarHBondContact OE1-NZ 2.03Å
137D80.9Confident70.2Confident67 Ų6782.6 Ų82.636%0.35844%0.438SS..Hα-helixtrans-71.2-40.3179.2-70.9-22.2000112H124 G134 K140 C141H124-D137 VanDerWaalsContact CE1-CB 3.48Å; H124-D137 WeakPolarHBondContact CE1-CB 3.24Å; G134-D137 PolarHBondContact O-N 2.99Å; D137-K140 WeakPolarHBondContact O-CB 3.43Å; D137-K140 PolarHBondContact O-N 3.12Å; D137-K140 IonicContact OD1-NZ 2.77Å; D137-K140 PolarHBondContact OD1-NZ 3.11Å; D137-C141 WeakPolarHBondContact O-CB 3.49Å; D137-C141 PolarHBondContact O-N 3.23Å
138F83.4Confident71.5Confident6 Ų679.8 Ų79.83%0.02642%0.416CS..Hα-helixtrans-59.9-46.6170.6175.5-103.4000112.3H97 L100 C120 H124 G134 K140 C141 K142H97-F138 HydrophobicContact CB-CE1 4.29Å; H97-F138 HydrophobicContact CB-CE2 4.28Å; H97-F138 HydrophobicContact CB-CZ 3.63Å; H97-F138 AromaticContact CD2-CD2 3.87Å; H97-F138 AromaticContact CD2-CE2 3.39Å; H97-F138 WeakPolarHBondContact CD2-CE2 3.29Å; H97-F138 AromaticContact CD2-CZ 3.46Å; H97-F138 VanDerWaalsContact CD2-CZ 3.46Å; H97-F138 WeakPolarHBondContact CD2-CZ 3.33Å; H97-F138 AromaticContact CE1-CD1 3.68Å; H97-F138 AromaticContact CE1-CE1 3.61Å; H97-F138 AromaticContact CE1-CG 3.97Å; H97-F138 AromaticContact CE1-CZ 3.85Å; H97-F138 AromaticContact CG-CE1 3.66Å; H97-F138 AromaticContact CG-CE2 3.69Å; H97-F138 AromaticContact CG-CZ 3.22Å; H97-F138 AromaticContact ND1-CD1 3.93Å; H97-F138 AromaticContact ND1-CE1 3.37Å; H97-F138 WeakPolarHBondContact ND1-CE1 3.45Å; H97-F138 AromaticContact ND1-CZ 3.48Å; H97-F138 WeakPolarHBondContact ND1-CZ 3.36Å; H97-F138 AromaticContact NE2-CD2 3.75Å; H97-F138 AromaticContact NE2-CE2 3.75Å; H97-F138 AromaticContact NE2-CG 3.88Å; H97-F138 AromaticContact NE2-CZ 3.87Å; L100-F138 HydrophobicContact CD1-CE2 4.02Å; L100-F138 HydrophobicContact CD1-CZ 3.56Å; L100-F138 HydrophobicContact CD2-CZ 4.46Å; L100-F138 HydrophobicContact CG-CZ 4.14Å; C120-F138 HydrophobicContact CB-CD2 4.35Å; C120-F138 HydrophobicContact CB-CE2 4.3Å; H124-F138 HydrophobicContact CB-CB 4.21Å; H124-F138 HydrophobicContact CB-CD2 4.29Å; G134-F138 PolarHBondContact O-N 3.4Å; G134-F138 VanDerWaalsContact O-N 3.07Å; F138-K140 VanDerWaalsContact C-N 3.31Å; F138-K140 PolarHBondContact O-N 3.46Å; F138-C141 WeakPolarHBondContact O-CB 3.37Å; F138-C141 PolarHBondContact O-N 2.93Å; F138-C141 VanDerWaalsContact O-N 3.09Å; F138-K142 HydrophobicContact CE1-CD 4.26Å; F138-K142 WeakPolarHBondContact O-CB 3.03Å; F138-K142 PolarHBondContact O-N 3.42Å
139D84.4Confident72.7Confident75 Ų7571.5 Ų71.540%0.40140%0.396SS..Hα-helixtrans-62.4-37.6179-85.9-25.4000112.4S135 E136 K142 T143S135-D139 WeakPolarHBondContact O-CB 3.2Å; S135-D139 PolarHBondContact O-N 2.84Å; E136-D139 PolarHBondContact O-N 3.27Å; D139-K142 VanDerWaalsContact OD1-CE 3.26Å; D139-K142 WeakPolarHBondContact OD1-CE 3.44Å; D139-K142 IonicContact OD1-NZ 2.89Å; D139-K142 PolarHBondContact OD1-NZ 3.38Å; D139-T143 WeakPolarHBondContact O-CB 3.2Å; D139-T143 PolarHBondContact O-N 2.76Å; D139-T143 PolarHBondContact O-OG1 2.82Å
140K85.9Confident73.4Confident92 Ų9267.7 Ų67.740%0.440%0.4SS..Hα-helixtrans-63.4-44.2171.6-73.5166.5-170.7150.80111.3E136 D137 F138 T143 K144E136-K140 VanDerWaalsContact O-CG 3.27Å; E136-K140 WeakPolarHBondContact O-CG 3.31Å; E136-K140 PolarHBondContact O-N 2.98Å; E136-K140 WeakPolarHBondContact OE1-CE 3.25Å; E136-K140 IonicContact OE1-NZ 3.28Å; E136-K140 PolarHBondContact OE1-NZ 2.03Å; D137-K140 WeakPolarHBondContact O-CB 3.43Å; D137-K140 PolarHBondContact O-N 3.12Å; D137-K140 IonicContact OD1-NZ 2.77Å; D137-K140 PolarHBondContact OD1-NZ 3.11Å; F138-K140 VanDerWaalsContact C-N 3.31Å; F138-K140 PolarHBondContact O-N 3.46Å; K140-T143 PolarHBondContact O-N 3.39Å; K140-K144 WeakPolarHBondContact O-CG 3.31Å; K140-K144 PolarHBondContact O-N 3.43Å; K140-K144 VanDerWaalsContact O-N 3.11Å
141C86.1Confident73.6Confident22 Ų2276.7 Ų76.715%0.14944%0.441CS..Hα-helixtrans-61.9-52.8179-165.70000111C120 D137 F138 T143 K144 C145C120-C141 WeakPolarHBondContact CA-SG 2.99Å; C120-C141 HydrophobicContact CB-CB 3.74Å; C120-C141 WeakPolarHBondContact CB-SG 3.49Å; C120-C141 WeakPolarHBondContact SG-CB 3.5Å; C120-C141 CovalentContact SG-SG 2.03Å; C120-C141 PolarHBondContact SG-SG 3.39Å; D137-C141 WeakPolarHBondContact O-CB 3.49Å; D137-C141 PolarHBondContact O-N 3.23Å; F138-C141 WeakPolarHBondContact O-CB 3.37Å; F138-C141 PolarHBondContact O-N 2.93Å; F138-C141 VanDerWaalsContact O-N 3.09Å; C141-T143 VanDerWaalsContact C-N 3.3Å; C141-T143 PolarHBondContact O-N 3.07Å; C141-K144 WeakPolarHBondContact O-CA 3.48Å; C141-K144 WeakPolarHBondContact O-CB 3.34Å; C141-K144 PolarHBondContact O-N 3.09Å; C141-C145 PolarHBondContact O-N 3.13Å; C141-C145 VanDerWaalsContact O-N 3.11Å; C141-C145 PolarHBondContact O-SG 3.13Å
142K86.7Confident74.8Confident43 Ų4377.5 Ų77.519%0.18743%0.432CS..Hα-helixtrans-51-47.6173.7179.7175.767.2-162.50112L100 L117 F138 D139 K144 C145 Y146L100-K142 HydrophobicContact CD2-CD 3.68Å; L100-K142 HydrophobicContact CD2-CG 4.21Å; L117-K142 HydrophobicContact CD2-CB 4.47Å; L117-K142 HydrophobicContact CD2-CG 4.12Å; F138-K142 HydrophobicContact CE1-CD 4.26Å; F138-K142 WeakPolarHBondContact O-CB 3.03Å; F138-K142 PolarHBondContact O-N 3.42Å; D139-K142 VanDerWaalsContact OD1-CE 3.26Å; D139-K142 WeakPolarHBondContact OD1-CE 3.44Å; D139-K142 IonicContact OD1-NZ 2.89Å; D139-K142 PolarHBondContact OD1-NZ 3.38Å; K142-K144 VanDerWaalsContact C-N 3.29Å; K142-K144 PolarHBondContact O-N 3.01Å; K142-C145 WeakPolarHBondContact O-CB 3.46Å; K142-C145 PolarHBondContact O-N 3.45Å; K142-C145 VanDerWaalsContact O-N 3.13Å; K142-Y146 HydrophobicContact CD-CE2 4.27Å; K142-Y146 HydrophobicContact CG-CD2 3.92Å; K142-Y146 HydrophobicContact CG-CE2 3.66Å; K142-Y146 VanDerWaalsContact O-CD2 3.27Å; K142-Y146 WeakPolarHBondContact O-CD2 3.46Å; K142-Y146 PolarHBondContact O-N 3.38Å; K142-Y146 VanDerWaalsContact O-N 3.08Å
143T87.1Confident76.1Confident68 Ų6875.2 Ų75.242%0.41740%0.402SS..Hα-helixtrans-60.5-36.7178.4-61.70000112.5D139 K140 C141 K147D139-T143 WeakPolarHBondContact O-CB 3.2Å; D139-T143 PolarHBondContact O-N 2.76Å; D139-T143 PolarHBondContact O-OG1 2.82Å; K140-T143 PolarHBondContact O-N 3.39Å; C141-T143 VanDerWaalsContact C-N 3.3Å; C141-T143 PolarHBondContact O-N 3.07Å; T143-K147 WeakPolarHBondContact O-CG 3.28Å; T143-K147 PolarHBondContact O-N 2.93Å; T143-K147 VanDerWaalsContact O-N 3.13Å
144K86.2Confident77.4Confident138 Ų13874.9 Ų74.960%0.640%0.401SS*.Hα-helixtrans-64.9-43.1174.4-68.8170.2-178.31730111.2K140 C141 K142 Y146 K147 M148K140-K144 WeakPolarHBondContact O-CG 3.31Å; K140-K144 PolarHBondContact O-N 3.43Å; K140-K144 VanDerWaalsContact O-N 3.11Å; C141-K144 WeakPolarHBondContact O-CA 3.48Å; C141-K144 WeakPolarHBondContact O-CB 3.34Å; C141-K144 PolarHBondContact O-N 3.09Å; K142-K144 VanDerWaalsContact C-N 3.29Å; K142-K144 PolarHBondContact O-N 3.01Å; K144-Y146 PolarHBondContact O-N 3.45Å; K144-K147 PolarHBondContact O-N 3.45Å; K144-K147 VanDerWaalsContact O-N 3.17Å; K144-M148 WeakPolarHBondContact O-CG 3.32Å; K144-M148 PolarHBondContact O-N 2.9Å
145C87.3Confident78.6Confident0 Ų078.5 Ų78.50%042%0.416CS..Hα-helixtrans-59.4-44.6176.9-57.30000112.1F113 C116 L117 C120 C141 K142 K147 M148 A149F113-C145 HydrophobicContact CD2-CB 4.14Å; F113-C145 WeakPolarHBondContact CD2-O 3.26Å; F113-C145 HydrophobicContact CE2-CB 4.23Å; C116-C145 HydrophobicContact CB-CB 3.73Å; C116-C145 WeakPolarHBondContact CB-SG 3.3Å; C116-C145 PolarHBondContact O-SG 3.44Å; C116-C145 WeakPolarHBondContact SG-CA 3.45Å; C116-C145 WeakPolarHBondContact SG-CB 3.33Å; C116-C145 CovalentContact SG-SG 2.03Å; C116-C145 PolarHBondContact SG-SG 3.14Å; L117-C145 HydrophobicContact CD2-CB 3.85Å; L117-C145 HydrophobicContact CG-CB 4.2Å; C120-C145 PolarHBondContact SG-SG 3.43Å; C141-C145 PolarHBondContact O-N 3.13Å; C141-C145 VanDerWaalsContact O-N 3.11Å; C141-C145 PolarHBondContact O-SG 3.13Å; K142-C145 WeakPolarHBondContact O-CB 3.46Å; K142-C145 PolarHBondContact O-N 3.45Å; K142-C145 VanDerWaalsContact O-N 3.13Å; C145-K147 VanDerWaalsContact C-N 3.33Å; C145-K147 PolarHBondContact O-N 3.43Å; C145-M148 WeakPolarHBondContact O-CB 3.43Å; C145-M148 PolarHBondContact O-N 3.16Å; C145-A149 PolarHBondContact O-N 3.23Å; C145-A149 VanDerWaalsContact O-N 3.08Å
146Y85.7Confident79.5Confident111 Ų11177.9 Ų77.944%0.43540%0.404SS..Hα-helixtrans-62.9-37.7176.1-81.7-74.3000113A103 F113 K142 K144 M148 A149 G150A103-Y146 WeakPolarHBondContact CB-OH 3.31Å; F113-Y146 AromaticContact CE2-CD1 3.86Å; F113-Y146 HydrophobicContact CE2-CD1 3.86Å; F113-Y146 HydrophobicContact CE2-CD2 4.44Å; F113-Y146 AromaticContact CE2-CE1 3.95Å; F113-Y146 HydrophobicContact CE2-CE1 3.95Å; F113-Y146 HydrophobicContact CE2-CG 4.12Å; F113-Y146 HydrophobicContact CZ-CD1 4.08Å; F113-Y146 AromaticContact CZ-CE1 3.69Å; F113-Y146 HydrophobicContact CZ-CE1 3.69Å; F113-Y146 AromaticContact CZ-CZ 3.93Å; K142-Y146 HydrophobicContact CD-CE2 4.27Å; K142-Y146 HydrophobicContact CG-CD2 3.92Å; K142-Y146 HydrophobicContact CG-CE2 3.66Å; K142-Y146 VanDerWaalsContact O-CD2 3.27Å; K142-Y146 WeakPolarHBondContact O-CD2 3.46Å; K142-Y146 PolarHBondContact O-N 3.38Å; K142-Y146 VanDerWaalsContact O-N 3.08Å; K144-Y146 PolarHBondContact O-N 3.45Å; Y146-M148 VanDerWaalsContact C-N 3.32Å; Y146-M148 PolarHBondContact O-N 2.97Å; Y146-A149 PolarHBondContact O-N 2.77Å; Y146-G150 PolarHBondContact O-N 2.86Å
147K82.5Confident80.3Confident144 Ų14476.7 Ų76.763%0.62640%0.401SS*.Hα-helixtrans-65-36175-74.2177-178.9177.70112.4T143 K144 C145 Q151T143-K147 WeakPolarHBondContact O-CG 3.28Å; T143-K147 PolarHBondContact O-N 2.93Å; T143-K147 VanDerWaalsContact O-N 3.13Å; K144-K147 PolarHBondContact O-N 3.45Å; K144-K147 VanDerWaalsContact O-N 3.17Å; C145-K147 VanDerWaalsContact C-N 3.33Å; C145-K147 PolarHBondContact O-N 3.43Å; K147-Q151 WeakPolarHBondContact O-CG 3.14Å
148M77Confident80.3Confident50 Ų5077.4 Ų77.425%0.24640%0.404CS..Hα-helixtrans-67-37.3174.7-71.6168.324.700112.4C116 K144 C145 Y146 G150C116-M148 HydrophobicContact CB-CE 3.8Å; K144-M148 WeakPolarHBondContact O-CG 3.32Å; K144-M148 PolarHBondContact O-N 2.9Å; C145-M148 WeakPolarHBondContact O-CB 3.43Å; C145-M148 PolarHBondContact O-N 3.16Å; Y146-M148 VanDerWaalsContact C-N 3.32Å; Y146-M148 PolarHBondContact O-N 2.97Å; M148-G150 VanDerWaalsContact C-N 3.35Å
149A75Confident80Confident54 Ų5482.9 Ų82.945%0.44643%0.433SS..Hα-helixtrans-73.2-25.9-179.500000113.8F113 C145 Y146F113-A149 HydrophobicContact CB-CB 3.96Å; F113-A149 HydrophobicContact CD2-CB 3.62Å; F113-A149 HydrophobicContact CE2-CB 4.29Å; F113-A149 HydrophobicContact CG-CB 3.9Å; C145-A149 PolarHBondContact O-N 3.23Å; C145-A149 VanDerWaalsContact O-N 3.08Å; Y146-A149 PolarHBondContact O-N 2.77Å
150G65.6Low79.7Confident72 Ų7283.6 Ų83.674%0.74244%0.435SS*.THydrogen-bonded Turntrans-870.8179.200000115.1Y146 M148Y146-G150 PolarHBondContact O-N 2.86Å; M148-G150 VanDerWaalsContact C-N 3.35Å
151Q50.9Low79.1Confident209 Ų20982.8 Ų82.898%0.97744%0.439SS*.  trans-94.10175.9-75-179.8-22.600111K147K147-Q151 WeakPolarHBondContact O-CG 3.14Å

Retrieved 151 of 151 residues in 186.5 ms (Link to these results)

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