A0A3Q0KMR7_SCHMA Loading...

Putative g-protein coupled receptor

AlphaFold DB , UniProt , Accession A0A3Q0KMR7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 389 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
1M63.6Low83Confident217 Ų217112.6 Ų112.6100%1.06961%0.607SS**  0-220-81.9179.2169.800115.3S4M1-S4 PolarHBondContact O-OG 3Å
2R70.6Confident83.7Confident232 Ų232112.6 Ų112.688%0.87560%0.6SS**Hα-helixtrans-78-27.5-178.9-137.1173.1-164.2157.82.9114.9
3S75.6Confident84.3Confident84 Ų84114.4 Ų114.459%0.58760%0.602SS**Hα-helixtrans-72.1-30.1-176.8-166.80000114.3L6 N7S3-L6 PolarHBondContact O-N 3.36Å; S3-N7 PolarHBondContact O-N 3.17Å
4S80.7Confident84.8Confident74 Ų74115.1 Ų115.152%0.51760%0.601SS.*Hα-helixtrans-69.4-34-179.349.20000112.5M1 S8M1-S4 PolarHBondContact O-OG 3Å; S4-S8 PolarHBondContact O-N 3.08Å
5N86.2Confident85.1Confident109 Ų109114.1 Ų114.158%0.58359%0.592SS**Hα-helixtrans-72.2-32178.3-68.5-8000112.3L9N5-L9 WeakPolarHBondContact O-CG 3.38Å; N5-L9 PolarHBondContact O-N 2.86Å; N5-L9 VanDerWaalsContact O-N 3.17Å
6L88Confident85.4Confident105 Ų105112.3 Ų112.355%0.5558%0.584SS.*Hα-helixtrans-67.6-45.8178.2-162.494.6000111.2S3 S8 L9 I10S3-L6 PolarHBondContact O-N 3.36Å; L6-S8 VanDerWaalsContact C-N 3.29Å; L6-S8 PolarHBondContact O-N 3.15Å; L6-L9 PolarHBondContact O-N 2.9Å; L6-I10 HydrophobicContact CD2-CD1 4.03Å; L6-I10 HydrophobicContact CG-CD1 4.12Å; L6-I10 WeakPolarHBondContact O-CG1 3.48Å; L6-I10 PolarHBondContact O-N 2.89Å
7N89.7Confident85.5Confident100 Ų100110.6 Ų110.654%0.53558%0.579SS.*Hα-helixtrans-64.3-35.3179.5-66.7-7.1000112.1S3 A11S3-N7 PolarHBondContact O-N 3.17Å; N7-A11 WeakPolarHBondContact O-CB 3.29Å; N7-A11 PolarHBondContact O-N 2.6Å; N7-A11 VanDerWaalsContact O-N 3.12Å
8S89Confident85.5Confident75 Ų75112.1 Ų112.152%0.52458%0.582SS.*Hα-helixtrans-66.2-41.2175-1720000112.5S4 L6 A11 E12S4-S8 PolarHBondContact O-N 3.08Å; L6-S8 VanDerWaalsContact C-N 3.29Å; L6-S8 PolarHBondContact O-N 3.15Å; S8-A11 PolarHBondContact O-N 2.92Å; S8-E12 PolarHBondContact O-N 2.86Å; S8-E12 VanDerWaalsContact O-N 3.15Å
9L89.7Confident85.6Confident111 Ų111112.2 Ų112.258%0.58158%0.578SS**Hα-helixtrans-67.1-40178.5-79.1165.7000112N5 L6 E12 E13N5-L9 WeakPolarHBondContact O-CG 3.38Å; N5-L9 PolarHBondContact O-N 2.86Å; N5-L9 VanDerWaalsContact O-N 3.17Å; L6-L9 PolarHBondContact O-N 2.9Å; L9-E12 PolarHBondContact O-N 3.46Å; L9-E13 PolarHBondContact O-N 3.37Å
10I90.9Very high85.7Confident77 Ų77111.9 Ų111.940%0.39558%0.577SS.*Hα-helixtrans-64.4-44177.1-66166.2000110.6L6 E12 E13 E14L6-I10 HydrophobicContact CD2-CD1 4.03Å; L6-I10 HydrophobicContact CG-CD1 4.12Å; L6-I10 WeakPolarHBondContact O-CG1 3.48Å; L6-I10 PolarHBondContact O-N 2.89Å; I10-E12 VanDerWaalsContact C-N 3.34Å; I10-E12 PolarHBondContact O-N 2.86Å; I10-E13 PolarHBondContact O-N 3.07Å; I10-E14 WeakPolarHBondContact O-CG 3.36Å; I10-E14 PolarHBondContact O-N 3.26Å
11A89.5Confident85.6Confident55 Ų55111 Ų11146%0.45558%0.576SS.*Hα-helixtrans-62.9-38.9178.500000112.8N7 S8 E15N7-A11 WeakPolarHBondContact O-CB 3.29Å; N7-A11 PolarHBondContact O-N 2.6Å; N7-A11 VanDerWaalsContact O-N 3.12Å; S8-A11 PolarHBondContact O-N 2.92Å; A11-E15 PolarHBondContact O-N 3Å; A11-E15 VanDerWaalsContact O-N 3.09Å
12E91.6Very high86.6Confident112 Ų112105.5 Ų105.552%0.52355%0.551SS.*Hα-helixtrans-68.7-39.5176.8-173.1179173.600112.1S8 L9 I10 E15 N16S8-E12 PolarHBondContact O-N 2.86Å; S8-E12 VanDerWaalsContact O-N 3.15Å; L9-E12 PolarHBondContact O-N 3.46Å; I10-E12 VanDerWaalsContact C-N 3.34Å; I10-E12 PolarHBondContact O-N 2.86Å; E12-E15 PolarHBondContact O-N 3.48Å; E12-N16 WeakPolarHBondContact O-CB 3.21Å; E12-N16 VanDerWaalsContact O-CG 3.28Å; E12-N16 PolarHBondContact O-N 3.32Å; E12-N16 PolarHBondContact O-ND2 3.45Å; E12-N16 VanDerWaalsContact O-ND2 3.07Å
13E91.6Very high87.5Confident136 Ų136102 Ų10264%0.63654%0.542SS*.Hα-helixtrans-63.7-43.9175.2-170.9171.6-173.100111.5L9 I10 N16 V17L9-E13 PolarHBondContact O-N 3.37Å; I10-E13 PolarHBondContact O-N 3.07Å; E13-N16 PolarHBondContact O-N 3.24Å; E13-V17 VanDerWaalsContact O-CG2 3.32Å; E13-V17 WeakPolarHBondContact O-CG2 3.28Å; E13-V17 PolarHBondContact O-N 3.42Å
14E90.1Very high88.1Confident125 Ų125103 Ų10358%0.58454%0.54SS*.Hα-helixtrans-61.9-43.4176.3-73.9-174.8171.200112.6I10 N16 V17 Q18I10-E14 WeakPolarHBondContact O-CG 3.36Å; I10-E14 PolarHBondContact O-N 3.26Å; E14-N16 VanDerWaalsContact C-N 3.34Å; E14-N16 PolarHBondContact O-N 3.13Å; E14-V17 PolarHBondContact O-N 3.37Å; E14-Q18 WeakPolarHBondContact O-CG 3.22Å; E14-Q18 PolarHBondContact O-N 3.18Å
15E90.2Very high88.3Confident100 Ų100105 Ų10547%0.46754%0.538SS..Hα-helixtrans-63.8-39.9177.3-167.3-173.6163.200111.6A11 E12 Q18 K19A11-E15 PolarHBondContact O-N 3Å; A11-E15 VanDerWaalsContact O-N 3.09Å; E12-E15 PolarHBondContact O-N 3.48Å; E15-Q18 PolarHBondContact O-N 3.21Å; E15-K19 HydrophobicContact CG-CD 4.43Å; E15-K19 WeakPolarHBondContact O-CB 3.34Å; E15-K19 WeakPolarHBondContact O-CG 3.38Å; E15-K19 PolarHBondContact O-N 3.45Å; E15-K19 WeakPolarHBondContact OE1-CE 3.33Å; E15-K19 IonicContact OE1-NZ 2.64Å; E15-K19 PolarHBondContact OE1-NZ 3.32Å
16N89.7Confident88.4Confident85 Ų85103.9 Ų103.946%0.45553%0.53SS..Hα-helixtrans-67-40177.6-75.7-34.4000112.2E12 E13 E14 K19 L20E12-N16 WeakPolarHBondContact O-CB 3.21Å; E12-N16 VanDerWaalsContact O-CG 3.28Å; E12-N16 PolarHBondContact O-N 3.32Å; E12-N16 PolarHBondContact O-ND2 3.45Å; E12-N16 VanDerWaalsContact O-ND2 3.07Å; E13-N16 PolarHBondContact O-N 3.24Å; E14-N16 VanDerWaalsContact C-N 3.34Å; E14-N16 PolarHBondContact O-N 3.13Å; N16-K19 PolarHBondContact O-N 3.05Å; N16-L20 WeakPolarHBondContact O-CB 3.21Å; N16-L20 PolarHBondContact O-N 3.49Å
17V86.8Confident88.6Confident83 Ų83102 Ų10250%0.50352%0.524SS..Hα-helixtrans-63.4-45174.1172.60000110.6E13 E14 K19 L20 V21E13-V17 VanDerWaalsContact O-CG2 3.32Å; E13-V17 WeakPolarHBondContact O-CG2 3.28Å; E13-V17 PolarHBondContact O-N 3.42Å; E14-V17 PolarHBondContact O-N 3.37Å; V17-K19 PolarHBondContact O-N 3.45Å; V17-L20 PolarHBondContact O-N 2.79Å; V17-V21 HydrophobicContact CG1-CG2 4.5Å; V17-V21 WeakPolarHBondContact O-CG2 3.37Å; V17-V21 PolarHBondContact O-N 2.97Å
18Q85.1Confident88.5Confident138 Ų138100.5 Ų100.565%0.64552%0.519SS*.Hα-helixtrans-62.4-43.2177.3-73.9-174.4-4.600112.5E14 E15 L20 V21 L22E14-Q18 WeakPolarHBondContact O-CG 3.22Å; E14-Q18 PolarHBondContact O-N 3.18Å; E15-Q18 PolarHBondContact O-N 3.21Å; Q18-L20 VanDerWaalsContact C-N 3.31Å; Q18-L20 PolarHBondContact O-N 3.07Å; Q18-V21 PolarHBondContact O-N 3.44Å; Q18-L22 WeakPolarHBondContact O-CB 3.44Å; Q18-L22 PolarHBondContact O-N 3.22Å
19K89Confident88.4Confident113 Ų11398.6 Ų98.649%0.49150%0.503SS..Hα-helixtrans-61.1-39.6174.9-76.6174.2-176.9165.10112E15 N16 V17 L22 K23E15-K19 HydrophobicContact CG-CD 4.43Å; E15-K19 WeakPolarHBondContact O-CB 3.34Å; E15-K19 WeakPolarHBondContact O-CG 3.38Å; E15-K19 PolarHBondContact O-N 3.45Å; E15-K19 WeakPolarHBondContact OE1-CE 3.33Å; E15-K19 IonicContact OE1-NZ 2.64Å; E15-K19 PolarHBondContact OE1-NZ 3.32Å; N16-K19 PolarHBondContact O-N 3.05Å; V17-K19 PolarHBondContact O-N 3.45Å; K19-L22 PolarHBondContact O-N 2.7Å; K19-K23 VanDerWaalsContact O-CB 3.31Å; K19-K23 WeakPolarHBondContact O-CB 3.35Å; K19-K23 PolarHBondContact O-N 3.4Å
20L87.3Confident88.5Confident106 Ų10698.4 Ų98.456%0.55550%0.501SS*.Hα-helixtrans-66.5-43.8177.7-171.469000111.6N16 V17 Q18 K23 N24N16-L20 WeakPolarHBondContact O-CB 3.21Å; N16-L20 PolarHBondContact O-N 3.49Å; V17-L20 PolarHBondContact O-N 2.79Å; Q18-L20 VanDerWaalsContact C-N 3.31Å; Q18-L20 PolarHBondContact O-N 3.07Å; L20-K23 PolarHBondContact O-N 3.37Å; L20-N24 PolarHBondContact O-N 3.43Å; L20-N24 VanDerWaalsContact O-N 3.13Å
21V83.9Confident88.5Confident93 Ų93100.4 Ų100.456%0.56451%0.512SS*.Hα-helixtrans-60.9-47.6175.3172.30000110.5V17 Q18 K23 N24 Y25V17-V21 HydrophobicContact CG1-CG2 4.5Å; V17-V21 WeakPolarHBondContact O-CG2 3.37Å; V17-V21 PolarHBondContact O-N 2.97Å; Q18-V21 PolarHBondContact O-N 3.44Å; V21-K23 PolarHBondContact O-N 3.05Å; V21-N24 PolarHBondContact O-N 3.37Å; V21-Y25 WeakPolarHBondContact O-CB 3.25Å; V21-Y25 PolarHBondContact O-N 2.84Å
22L84.4Confident88.5Confident103 Ų103101.5 Ų101.554%0.53951%0.509SS..Hα-helixtrans-61.8-42.8179.3-171.964.7000111.7Q18 K19 N24 Y25 I26Q18-L22 WeakPolarHBondContact O-CB 3.44Å; Q18-L22 PolarHBondContact O-N 3.22Å; K19-L22 PolarHBondContact O-N 2.7Å; L22-N24 VanDerWaalsContact C-N 3.29Å; L22-N24 PolarHBondContact O-N 2.84Å; L22-Y25 PolarHBondContact O-N 3.41Å; L22-Y25 VanDerWaalsContact O-N 3.14Å; L22-I26 HydrophobicContact CD1-CG1 4.5Å; L22-I26 HydrophobicContact CG-CD1 4.08Å; L22-I26 HydrophobicContact CG-CG1 4.44Å; L22-I26 WeakPolarHBondContact O-CD1 3.3Å; L22-I26 VanDerWaalsContact O-CG1 3.25Å; L22-I26 WeakPolarHBondContact O-CG1 3.24Å; L22-I26 PolarHBondContact O-N 3.4Å
23K88.7Confident88.5Confident157 Ų15797 Ų9768%0.68349%0.49SS*.Hα-helixtrans-61.8-35.7178.2-170.6177-179.6-178.70112.7K19 L20 V21 P27K19-K23 VanDerWaalsContact O-CB 3.31Å; K19-K23 WeakPolarHBondContact O-CB 3.35Å; K19-K23 PolarHBondContact O-N 3.4Å; L20-K23 PolarHBondContact O-N 3.37Å; V21-K23 PolarHBondContact O-N 3.05Å; K23-P27 WeakPolarHBondContact O-CD 3.4Å
24N87.4Confident88.5Confident105 Ų10594.3 Ų94.356%0.56149%0.485SS*.Hα-helixtrans-78.4-27.1176-70.8-16.2000112.8L20 V21 L22 P27L20-N24 PolarHBondContact O-N 3.43Å; L20-N24 VanDerWaalsContact O-N 3.13Å; V21-N24 PolarHBondContact O-N 3.37Å; L22-N24 VanDerWaalsContact C-N 3.29Å; L22-N24 PolarHBondContact O-N 2.84Å; N24-P27 WeakPolarHBondContact O-CG 3.5Å
25Y85.9Confident88.6Confident118 Ų11894.8 Ų94.846%0.46349%0.485SS..Hα-helixtrans-81.4-35.7-177.7-166.8-110.6000113.4V21 L22 T28 L29V21-Y25 WeakPolarHBondContact O-CB 3.25Å; V21-Y25 PolarHBondContact O-N 2.84Å; L22-Y25 PolarHBondContact O-N 3.41Å; L22-Y25 VanDerWaalsContact O-N 3.14Å; Y25-T28 WeakPolarHBondContact O-CB 3.33Å; Y25-T28 PolarHBondContact O-N 3.1Å; Y25-L29 HydrophobicContact CD1-CD1 4.23Å; Y25-L29 HydrophobicContact CE1-CD1 3.81Å; Y25-L29 PolarHBondContact O-N 2.97Å
26I88.7Confident88.6Confident84 Ų8491.8 Ų91.843%0.43147%0.473SS..Hα-helixtrans-51.8-52.1179.4-70.4161.1000113.7L22 T28 L29 I30L22-I26 HydrophobicContact CD1-CG1 4.5Å; L22-I26 HydrophobicContact CG-CD1 4.08Å; L22-I26 HydrophobicContact CG-CG1 4.44Å; L22-I26 WeakPolarHBondContact O-CD1 3.3Å; L22-I26 VanDerWaalsContact O-CG1 3.25Å; L22-I26 WeakPolarHBondContact O-CG1 3.24Å; L22-I26 PolarHBondContact O-N 3.4Å; I26-T28 VanDerWaalsContact C-N 3.32Å; I26-T28 PolarHBondContact O-N 2.97Å; I26-L29 PolarHBondContact O-N 2.99Å; I26-I30 HydrophobicContact CG2-CD1 3.79Å; I26-I30 HydrophobicContact CG2-CG1 4.47Å; I26-I30 WeakPolarHBondContact O-CG1 3.34Å; I26-I30 PolarHBondContact O-N 3.39Å
27P91.2Very high88.7Confident65 Ų6590.9 Ų90.942%0.42247%0.47SS..Hα-helixtrans-63.3-38.6-178.923.6-33.6000112.1K23 N24 I30 I31K23-P27 WeakPolarHBondContact O-CD 3.4Å; N24-P27 WeakPolarHBondContact O-CG 3.5Å; P27-I30 PolarHBondContact O-N 2.9Å; P27-I31 VanDerWaalsContact O-CG1 3.26Å; P27-I31 WeakPolarHBondContact O-CG1 3.31Å; P27-I31 PolarHBondContact O-N 3.32Å
28T88.5Confident89.1Confident69 Ų6989.5 Ų89.542%0.42346%0.463SS..Hα-helixtrans-62.2-44.1175.6-56.40000111.2Y25 I26 I30 I31 I32Y25-T28 WeakPolarHBondContact O-CB 3.33Å; Y25-T28 PolarHBondContact O-N 3.1Å; I26-T28 VanDerWaalsContact C-N 3.32Å; I26-T28 PolarHBondContact O-N 2.97Å; T28-I30 PolarHBondContact O-N 3.38Å; T28-I31 PolarHBondContact O-N 3.05Å; T28-I32 HydrophobicContact CG2-CD1 3.77Å; T28-I32 HydrophobicContact CG2-CG1 4.42Å; T28-I32 WeakPolarHBondContact O-CB 3.4Å; T28-I32 VanDerWaalsContact O-CG1 3.28Å; T28-I32 WeakPolarHBondContact O-CG1 3.35Å; T28-I32 PolarHBondContact O-N 2.82Å
29L87.3Confident89.4Confident36 Ų3686.5 Ų86.519%0.18845%0.451CS..Hα-helixtrans-62.2-42177.3-171.1155.2000111.8Y25 I26 I32 S33 I211Y25-L29 HydrophobicContact CD1-CD1 4.23Å; Y25-L29 HydrophobicContact CE1-CD1 3.81Å; Y25-L29 PolarHBondContact O-N 2.97Å; I26-L29 PolarHBondContact O-N 2.99Å; L29-I32 PolarHBondContact O-N 3.31Å; L29-S33 VanDerWaalsContact O-CB 3.28Å; L29-S33 WeakPolarHBondContact O-CB 3.48Å; L29-S33 PolarHBondContact O-N 3.45Å; L29-S33 PolarHBondContact O-OG 3.48Å; L29-I211 HydrophobicContact CD1-CG2 3.54Å; L29-I211 HydrophobicContact CD2-CG2 3.83Å; L29-I211 HydrophobicContact CG-CG2 3.47Å; L29-I211 VanDerWaalsContact CG-CG2 3.47Å
30I90.4Very high89.5Confident106 Ų10682 Ų8254%0.54443%0.434SS..Hα-helixtrans-62.4-45.7175.7-67.7167.4000110.7I26 P27 T28 S33 C34I26-I30 HydrophobicContact CG2-CD1 3.79Å; I26-I30 HydrophobicContact CG2-CG1 4.47Å; I26-I30 WeakPolarHBondContact O-CG1 3.34Å; I26-I30 PolarHBondContact O-N 3.39Å; P27-I30 PolarHBondContact O-N 2.9Å; T28-I30 PolarHBondContact O-N 3.38Å; I30-S33 PolarHBondContact O-N 3.48Å; I30-C34 WeakPolarHBondContact O-CB 3.34Å; I30-C34 PolarHBondContact O-N 3.28Å
31I92.3Very high89.8Confident119 Ų11981.2 Ų81.261%0.6143%0.429SS*.Hα-helixtrans-62.7-47.8179-68.7165.3000110.7P27 T28 S33 C34 F35P27-I31 VanDerWaalsContact O-CG1 3.26Å; P27-I31 WeakPolarHBondContact O-CG1 3.31Å; P27-I31 PolarHBondContact O-N 3.32Å; T28-I31 PolarHBondContact O-N 3.05Å; I31-S33 VanDerWaalsContact C-N 3.35Å; I31-S33 PolarHBondContact O-N 3.24Å; I31-C34 PolarHBondContact O-N 3.42Å; I31-F35 WeakPolarHBondContact O-CB 3.15Å; I31-F35 PolarHBondContact O-N 2.74Å
32I89Confident90.3Very high79 Ų7984.1 Ų84.141%0.40544%0.435SS..Hα-helixtrans-61.1-45.1178-68.9169.1000110.5T28 L29 C34 F35 L36T28-I32 HydrophobicContact CG2-CD1 3.77Å; T28-I32 HydrophobicContact CG2-CG1 4.42Å; T28-I32 WeakPolarHBondContact O-CB 3.4Å; T28-I32 VanDerWaalsContact O-CG1 3.28Å; T28-I32 WeakPolarHBondContact O-CG1 3.35Å; T28-I32 PolarHBondContact O-N 2.82Å; L29-I32 PolarHBondContact O-N 3.31Å; I32-C34 PolarHBondContact O-N 3.38Å; I32-F35 PolarHBondContact O-N 3.32Å; I32-L36 HydrophobicContact CG2-CD1 3.96Å; I32-L36 HydrophobicContact CG2-CG 4.31Å; I32-L36 WeakPolarHBondContact O-CB 3.39Å; I32-L36 WeakPolarHBondContact O-CG 3.45Å; I32-L36 PolarHBondContact O-N 2.83Å
33S90.2Very high90.7Very high18 Ų1880.1 Ų80.113%0.12642%0.418CS..Hα-helixtrans-62.4-44179-59.80000111.7L29 I30 I31 F35 L36 V37L29-S33 VanDerWaalsContact O-CB 3.28Å; L29-S33 WeakPolarHBondContact O-CB 3.48Å; L29-S33 PolarHBondContact O-N 3.45Å; L29-S33 PolarHBondContact O-OG 3.48Å; I30-S33 PolarHBondContact O-N 3.48Å; I31-S33 VanDerWaalsContact C-N 3.35Å; I31-S33 PolarHBondContact O-N 3.24Å; S33-F35 VanDerWaalsContact C-N 3.35Å; S33-F35 PolarHBondContact O-N 3.1Å; S33-L36 PolarHBondContact O-N 3.32Å; S33-V37 VanDerWaalsContact O-CG2 3.32Å; S33-V37 WeakPolarHBondContact O-CG2 3.02Å; S33-V37 PolarHBondContact O-N 2.91Å
34C93Very high90.9Very high78 Ų7875.9 Ų75.953%0.52740%0.403SS..Hα-helixtrans-60-45.3174.9-174.80000111.5I30 I31 I32 V37 C38I30-C34 WeakPolarHBondContact O-CB 3.34Å; I30-C34 PolarHBondContact O-N 3.28Å; I31-C34 PolarHBondContact O-N 3.42Å; I32-C34 PolarHBondContact O-N 3.38Å; C34-V37 PolarHBondContact O-N 2.97Å; C34-C38 PolarHBondContact O-N 3.35Å; C34-C38 PolarHBondContact O-SG 3.16Å; C34-C38 VanDerWaalsContact O-SG 3.34Å
35F92.5Very high91.2Very high135 Ų13575.5 Ų75.559%0.59240%0.4SS*.Hα-helixtrans-63.2-42.8178-171.6-110.4000112.4I31 I32 S33 C38 I39I31-F35 WeakPolarHBondContact O-CB 3.15Å; I31-F35 PolarHBondContact O-N 2.74Å; I32-F35 PolarHBondContact O-N 3.32Å; S33-F35 VanDerWaalsContact C-N 3.35Å; S33-F35 PolarHBondContact O-N 3.1Å; F35-C38 PolarHBondContact O-N 2.9Å; F35-I39 HydrophobicContact CD1-CD1 3.53Å; F35-I39 HydrophobicContact CD1-CG1 4.43Å; F35-I39 HydrophobicContact CE1-CD1 3.16Å; F35-I39 HydrophobicContact CE1-CG1 4.21Å; F35-I39 HydrophobicContact CE2-CD1 4.37Å; F35-I39 HydrophobicContact CG-CD1 4.29Å; F35-I39 HydrophobicContact CZ-CD1 3.64Å; F35-I39 HydrophobicContact CZ-CG1 4.33Å; F35-I39 WeakPolarHBondContact O-CG1 3.47Å; F35-I39 PolarHBondContact O-N 2.91Å
36L89.7Confident91.6Very high38 Ų3871.5 Ų71.520%0.19939%0.394CS..Hα-helixtrans-63-41.4175.8-74.2175000112.3I32 S33 I39 S40 I204 T207 I208 I211I32-L36 HydrophobicContact CG2-CD1 3.96Å; I32-L36 HydrophobicContact CG2-CG 4.31Å; I32-L36 WeakPolarHBondContact O-CB 3.39Å; I32-L36 WeakPolarHBondContact O-CG 3.45Å; I32-L36 PolarHBondContact O-N 2.83Å; S33-L36 PolarHBondContact O-N 3.32Å; L36-I39 PolarHBondContact O-N 3.28Å; L36-S40 WeakPolarHBondContact O-CB 3.4Å; L36-S40 PolarHBondContact O-N 3.45Å; L36-I204 HydrophobicContact CB-CG2 4.07Å; L36-T207 HydrophobicContact CD1-CG2 4.33Å; L36-I208 HydrophobicContact CB-CD1 4.37Å; L36-I208 HydrophobicContact CB-CG1 4.41Å; L36-I208 HydrophobicContact CD1-CG1 4.38Å; L36-I211 HydrophobicContact CD1-CD1 4.31Å
37V91.9Very high91.8Very high66 Ų6668.9 Ų68.940%0.438%0.381SS..Hα-helixtrans-62.7-45.3174.7171.70000110.7S33 C34 S40 I41 I208S33-V37 VanDerWaalsContact O-CG2 3.32Å; S33-V37 WeakPolarHBondContact O-CG2 3.02Å; S33-V37 PolarHBondContact O-N 2.91Å; C34-V37 PolarHBondContact O-N 2.97Å; V37-S40 WeakPolarHBondContact O-CB 3.33Å; V37-S40 PolarHBondContact O-N 3.19Å; V37-I41 HydrophobicContact CG1-CD1 3.84Å; V37-I41 HydrophobicContact CG1-CG1 4.49Å; V37-I41 WeakPolarHBondContact O-CG1 3.41Å; V37-I41 PolarHBondContact O-N 3.22Å; V37-I208 HydrophobicContact CG2-CD1 3.6Å
38C94.1Very high91.8Very high53 Ų5371 Ų7136%0.35838%0.381SS..Hα-helixtrans-59.3-48.4175.8-71.90000111.7C34 F35 S40 I41 F42C34-C38 PolarHBondContact O-N 3.35Å; C34-C38 PolarHBondContact O-SG 3.16Å; C34-C38 VanDerWaalsContact O-SG 3.34Å; F35-C38 PolarHBondContact O-N 2.9Å; C38-S40 VanDerWaalsContact C-N 3.31Å; C38-S40 PolarHBondContact O-N 2.84Å; C38-I41 PolarHBondContact O-N 3.06Å; C38-F42 WeakPolarHBondContact O-CD2 3.27Å; C38-F42 PolarHBondContact O-N 3.29Å
39I91.4Very high92Very high76 Ų7672.6 Ų72.639%0.3939%0.386SS..Hα-helixtrans-59.2-43.1175.8-71.6171.5000111F35 L36 I41 F42 G43 I204F35-I39 HydrophobicContact CD1-CD1 3.53Å; F35-I39 HydrophobicContact CD1-CG1 4.43Å; F35-I39 HydrophobicContact CE1-CD1 3.16Å; F35-I39 HydrophobicContact CE1-CG1 4.21Å; F35-I39 HydrophobicContact CE2-CD1 4.37Å; F35-I39 HydrophobicContact CG-CD1 4.29Å; F35-I39 HydrophobicContact CZ-CD1 3.64Å; F35-I39 HydrophobicContact CZ-CG1 4.33Å; F35-I39 WeakPolarHBondContact O-CG1 3.47Å; F35-I39 PolarHBondContact O-N 2.91Å; L36-I39 PolarHBondContact O-N 3.28Å; I39-I41 PolarHBondContact O-N 3.23Å; I39-F42 PolarHBondContact O-N 3.12Å; I39-G43 WeakPolarHBondContact O-CA 3.29Å; I39-G43 PolarHBondContact O-N 3.12Å; I39-I204 HydrophobicContact CG2-CD1 4.48Å
40S92.2Very high92.2Very high19 Ų1973 Ų7313%0.13339%0.39CS..Hα-helixtrans-59.9-45.5177.6-177.60000111.5L36 V37 C38 L44 C200L36-S40 WeakPolarHBondContact O-CB 3.4Å; L36-S40 PolarHBondContact O-N 3.45Å; V37-S40 WeakPolarHBondContact O-CB 3.33Å; V37-S40 PolarHBondContact O-N 3.19Å; C38-S40 VanDerWaalsContact C-N 3.31Å; C38-S40 PolarHBondContact O-N 2.84Å; S40-L44 WeakPolarHBondContact O-CB 3.5Å; S40-L44 PolarHBondContact O-N 3.01Å; S40-C200 PolarHBondContact OG-O 3.08Å
41I93.6Very high92.2Very high88 Ų8868.4 Ų68.445%0.45137%0.367SS..Hα-helixtrans-64.9-49.9179.1-66.4165.8000110.6V37 C38 I39 L44 I45V37-I41 HydrophobicContact CG1-CD1 3.84Å; V37-I41 HydrophobicContact CG1-CG1 4.49Å; V37-I41 WeakPolarHBondContact O-CG1 3.41Å; V37-I41 PolarHBondContact O-N 3.22Å; C38-I41 PolarHBondContact O-N 3.06Å; I39-I41 PolarHBondContact O-N 3.23Å; I41-L44 PolarHBondContact O-N 3.27Å; I41-I45 HydrophobicContact CG2-CD1 3.69Å; I41-I45 HydrophobicContact CG2-CG1 4.5Å; I41-I45 WeakPolarHBondContact O-CB 3.49Å; I41-I45 VanDerWaalsContact O-CG1 3.23Å; I41-I45 WeakPolarHBondContact O-CG1 3.29Å; I41-I45 PolarHBondContact O-N 3.05Å
42F94.7Very high92.1Very high155 Ų15566.5 Ų66.568%0.6836%0.355SS*.Hα-helixtrans-64.1-42179.1-76.2-62.9000112.2C38 I39 I45 G46C38-F42 WeakPolarHBondContact O-CD2 3.27Å; C38-F42 PolarHBondContact O-N 3.29Å; I39-F42 PolarHBondContact O-N 3.12Å; F42-I45 PolarHBondContact O-N 2.99Å; F42-G46 PolarHBondContact O-N 3.21Å
43G91.2Very high92.1Very high19 Ų1966.8 Ų66.820%0.19636%0.361CS..Hα-helixtrans-64.4-4317600000112I39 N47I39-G43 WeakPolarHBondContact O-CA 3.29Å; I39-G43 PolarHBondContact O-N 3.12Å; G43-N47 WeakPolarHBondContact O-CB 3.31Å; G43-N47 VanDerWaalsContact O-CG 3.24Å; G43-N47 PolarHBondContact O-N 3.16Å; G43-N47 PolarHBondContact O-ND2 3.4Å
44L92.8Very high92.1Very high68 Ų6868.3 Ų68.336%0.35637%0.367SS..Hα-helixtrans-62.7-48.6175.7-170.7152.8000110.6S40 I41 W48 V201S40-L44 WeakPolarHBondContact O-CB 3.5Å; S40-L44 PolarHBondContact O-N 3.01Å; I41-L44 PolarHBondContact O-N 3.27Å; L44-W48 WeakPolarHBondContact O-CA 3.34Å; L44-W48 WeakPolarHBondContact O-CB 3.26Å; L44-W48 PolarHBondContact O-N 3.25Å; L44-V201 HydrophobicContact CD1-CG2 3.93Å
45I94.6Very high91.6Very high97 Ų9764.6 Ų64.650%0.49734%0.342SS..Hα-helixtrans-62.8-47.7178.8-66.1165.2000111I41 F42 L49I41-I45 HydrophobicContact CG2-CD1 3.69Å; I41-I45 HydrophobicContact CG2-CG1 4.5Å; I41-I45 WeakPolarHBondContact O-CB 3.49Å; I41-I45 VanDerWaalsContact O-CG1 3.23Å; I41-I45 WeakPolarHBondContact O-CG1 3.29Å; I41-I45 PolarHBondContact O-N 3.05Å; F42-I45 PolarHBondContact O-N 2.99Å; I45-L49 VanDerWaalsContact O-CB 3.28Å; I45-L49 WeakPolarHBondContact O-CB 3.25Å; I45-L49 PolarHBondContact O-N 3.45Å
46G93.3Very high91.3Very high34 Ų3465.6 Ų65.635%0.35134%0.342SS..Hα-helixtrans-62.9-51.9-178.900000112.3F42 W48 L49 V50F42-G46 PolarHBondContact O-N 3.21Å; G46-W48 PolarHBondContact O-N 2.88Å; G46-L49 PolarHBondContact O-N 3.12Å; G46-V50 WeakPolarHBondContact O-CG2 3.25Å; G46-V50 PolarHBondContact O-N 3.3Å
47N92.9Very high90.9Very high28 Ų2871.3 Ų71.315%0.1537%0.367CS..Hα-helixtrans-66.8-38.8179-68.3-35.6000111.7G43 L49 V50 V51 A193 D196 L197G43-N47 WeakPolarHBondContact O-CB 3.31Å; G43-N47 VanDerWaalsContact O-CG 3.24Å; G43-N47 PolarHBondContact O-N 3.16Å; G43-N47 PolarHBondContact O-ND2 3.4Å; N47-L49 VanDerWaalsContact C-N 3.3Å; N47-L49 PolarHBondContact O-N 2.87Å; N47-V50 PolarHBondContact O-N 3.37Å; N47-V51 WeakPolarHBondContact O-CB 3.42Å; N47-V51 WeakPolarHBondContact O-CG2 3.18Å; N47-V51 PolarHBondContact O-N 2.91Å; N47-A193 HydrophobicContact CB-CB 4.49Å; N47-D196 WeakPolarHBondContact ND2-CB 3.26Å; N47-L197 HydrophobicContact CB-CB 4.29Å
48W91.6Very high90.3Very high110 Ų11070.5 Ų70.542%0.41736%0.36SS..Hα-helixtrans-59.8-41.7172.8-174.1-86.1000111.6L44 G46 V51 H52 L66 L70 L197L44-W48 WeakPolarHBondContact O-CA 3.34Å; L44-W48 WeakPolarHBondContact O-CB 3.26Å; L44-W48 PolarHBondContact O-N 3.25Å; G46-W48 PolarHBondContact O-N 2.88Å; W48-V51 PolarHBondContact O-N 2.99Å; W48-H52 WeakPolarHBondContact O-CB 3.47Å; W48-H52 PolarHBondContact O-N 2.84Å; W48-L66 HydrophobicContact CH2-CD2 4.35Å; W48-L70 HydrophobicContact CH2-CD1 4.32Å; W48-L197 HydrophobicContact CE3-CD1 3.85Å
49L93.5Very high89.6Confident102 Ų10270.7 Ų70.753%0.53436%0.355SS..Hα-helixtrans-65.8-41.9178.2-171.5143.1000111.8I45 G46 N47 H52 T53I45-L49 VanDerWaalsContact O-CB 3.28Å; I45-L49 WeakPolarHBondContact O-CB 3.25Å; I45-L49 PolarHBondContact O-N 3.45Å; G46-L49 PolarHBondContact O-N 3.12Å; N47-L49 VanDerWaalsContact C-N 3.3Å; N47-L49 PolarHBondContact O-N 2.87Å; L49-H52 PolarHBondContact O-N 3.39Å; L49-T53 HydrophobicContact CD2-CG2 4.09Å; L49-T53 HydrophobicContact CG-CG2 4.35Å; L49-T53 WeakPolarHBondContact O-CB 3.48Å; L49-T53 VanDerWaalsContact O-CG2 3.22Å; L49-T53 WeakPolarHBondContact O-CG2 3.32Å; L49-T53 PolarHBondContact O-N 2.8Å; L49-T53 PolarHBondContact O-OG1 3.48Å
50V92Very high89.2Confident44 Ų4475.5 Ų75.527%0.26737%0.368SS..Hα-helixtrans-62.4-48.1174.6174.10000111.1G46 N47 H52 T53 I54 I189 A193G46-V50 WeakPolarHBondContact O-CG2 3.25Å; G46-V50 PolarHBondContact O-N 3.3Å; N47-V50 PolarHBondContact O-N 3.37Å; V50-H52 VanDerWaalsContact C-N 3.32Å; V50-H52 PolarHBondContact O-N 3.12Å; V50-T53 WeakPolarHBondContact CA-OG1 3.19Å; V50-T53 PolarHBondContact O-N 3.3Å; V50-T53 PolarHBondContact O-OG1 3.29Å; V50-T53 VanDerWaalsContact O-OG1 3.13Å; V50-I54 HydrophobicContact CG1-CD1 4.08Å; V50-I54 PolarHBondContact O-N 3.1Å; V50-I189 HydrophobicContact CG1-CG2 4.24Å; V50-A193 HydrophobicContact CB-CB 4.2Å; V50-A193 HydrophobicContact CG1-CB 3.87Å
51V90Very high88.7Confident11 Ų1183 Ų837%0.06740%0.398CS..Iπ-helixtrans-65.5-37.3179.4176.70000110.3N47 W48 G55 R56 F63 A193 I194N47-V51 WeakPolarHBondContact O-CB 3.42Å; N47-V51 WeakPolarHBondContact O-CG2 3.18Å; N47-V51 PolarHBondContact O-N 2.91Å; W48-V51 PolarHBondContact O-N 2.99Å; V51-G55 CarbonylContact O-C 3.58Å; V51-G55 WeakPolarHBondContact O-CA 3.44Å; V51-G55 PolarHBondContact O-N 3.5Å; V51-R56 PolarHBondContact O-N 2.71Å; V51-F63 HydrophobicContact CB-CZ 4.33Å; V51-F63 HydrophobicContact CG1-CE1 4.13Å; V51-F63 HydrophobicContact CG1-CE2 3.95Å; V51-F63 HydrophobicContact CG1-CZ 3.28Å; V51-F63 VanDerWaalsContact O-CZ 3.26Å; V51-F63 WeakPolarHBondContact O-CZ 3.45Å; V51-A193 HydrophobicContact CG2-CB 3.49Å; V51-A193 VanDerWaalsContact CG2-CB 3.49Å; V51-I194 HydrophobicContact CG1-CG1 4.25Å; V51-I194 HydrophobicContact CG2-CG1 4.02Å
52H88.9Confident87.9Confident78 Ų7883.8 Ų83.836%0.36140%0.399SS..Iπ-helixtrans-71.9-39.4176.6178.7-93.8000113W48 L49 V50 R56W48-H52 WeakPolarHBondContact O-CB 3.47Å; W48-H52 PolarHBondContact O-N 2.84Å; L49-H52 PolarHBondContact O-N 3.39Å; V50-H52 VanDerWaalsContact C-N 3.32Å; V50-H52 PolarHBondContact O-N 3.12Å; H52-R56 PolarHBondContact NE2-NH1 3.33Å; H52-R56 VanDerWaalsContact NE2-NH1 3.16Å; H52-R56 WeakPolarHBondContact O-CB 3.33Å
53T90.5Very high87.2Confident86 Ų8678.1 Ų78.153%0.52837%0.374SS..Iπ-helixtrans-74.4-49.5-178.149.10000112L49 V50L49-T53 HydrophobicContact CD2-CG2 4.09Å; L49-T53 HydrophobicContact CG-CG2 4.35Å; L49-T53 WeakPolarHBondContact O-CB 3.48Å; L49-T53 VanDerWaalsContact O-CG2 3.22Å; L49-T53 WeakPolarHBondContact O-CG2 3.32Å; L49-T53 PolarHBondContact O-N 2.8Å; L49-T53 PolarHBondContact O-OG1 3.48Å; V50-T53 WeakPolarHBondContact CA-OG1 3.19Å; V50-T53 PolarHBondContact O-N 3.3Å; V50-T53 PolarHBondContact O-OG1 3.29Å; V50-T53 VanDerWaalsContact O-OG1 3.13Å
54I88.9Confident86.8Confident49 Ų4982 Ų8225%0.25139%0.387SS..Iπ-helixtrans-89.7-48.1-176.7-55.6175.8000110.4V50 R56 H57 I58 D186 I189 V190V50-I54 HydrophobicContact CG1-CD1 4.08Å; V50-I54 PolarHBondContact O-N 3.1Å; I54-R56 VanDerWaalsContact C-N 3.29Å; I54-R56 PolarHBondContact O-N 3.35Å; I54-H57 PolarHBondContact O-N 3.1Å; I54-I58 HydrophobicContact CG2-CD1 4.19Å; I54-D186 HydrophobicContact CG2-CB 3.96Å; I54-I189 HydrophobicContact CD1-CG2 4.25Å; I54-V190 HydrophobicContact CB-CG2 3.81Å; I54-V190 HydrophobicContact CG2-CG2 3.53Å
55G83.7Confident86.3Confident0 Ų084.6 Ų84.60%040%0.401CS..Iπ-helixtrans-67.1-26.1-173.400000113.5V51 H57 I58 F59V51-G55 CarbonylContact O-C 3.58Å; V51-G55 WeakPolarHBondContact O-CA 3.44Å; V51-G55 PolarHBondContact O-N 3.5Å; G55-H57 PolarHBondContact O-N 3.37Å; G55-I58 PolarHBondContact O-N 2.85Å; G55-I58 VanDerWaalsContact O-N 3.15Å; G55-F59 WeakPolarHBondContact O-CA 3.47Å; G55-F59 WeakPolarHBondContact O-CB 3.27Å; G55-F59 PolarHBondContact O-N 2.84Å
56R85.3Confident85.5Confident157 Ų15782.7 Ų82.759%0.59239%0.391SS*.Hα-helixtrans-60.1-30175.6-174.3173.4-173.5160.9-0.8112.7V51 H52 I54V51-R56 PolarHBondContact O-N 2.71Å; H52-R56 PolarHBondContact NE2-NH1 3.33Å; H52-R56 VanDerWaalsContact NE2-NH1 3.16Å; H52-R56 WeakPolarHBondContact O-CB 3.33Å; I54-R56 VanDerWaalsContact C-N 3.29Å; I54-R56 PolarHBondContact O-N 3.35Å
57H82.2Confident85.2Confident157 Ų15785.6 Ų85.673%0.72740%0.395SS*.Hα-helixtrans-77.2-38.3176.9-170.7-96.7000112.2I54 G55I54-H57 PolarHBondContact O-N 3.1Å; G55-H57 PolarHBondContact O-N 3.37Å
58I79.5Confident85Confident50 Ų5087.3 Ų87.326%0.25641%0.409SS..Hα-helixtrans-88.3-42.4-173.1-59.3173.3000112I54 G55 D186I54-I58 HydrophobicContact CG2-CD1 4.19Å; G55-I58 PolarHBondContact O-N 2.85Å; G55-I58 VanDerWaalsContact O-N 3.15Å; I58-D186 HydrophobicContact CD1-CB 3.86Å
59F79.5Confident84.5Confident56 Ų5684.9 Ų84.925%0.24641%0.409CS..  trans-114.534.3-165.6-72.9-70.7000113G55 K61 F62 F63 L187 V190G55-F59 WeakPolarHBondContact O-CA 3.47Å; G55-F59 WeakPolarHBondContact O-CB 3.27Å; G55-F59 PolarHBondContact O-N 2.84Å; F59-K61 PolarHBondContact O-N 3.19Å; F59-F62 HydrophobicContact CB-CB 4.09Å; F59-F62 HydrophobicContact CD1-CB 4.38Å; F59-F62 PolarHBondContact O-N 2.93Å; F59-F63 HydrophobicContact CB-CD2 4.09Å; F59-F63 HydrophobicContact CB-CE2 4.38Å; F59-F63 PolarHBondContact O-N 3.36Å; F59-L187 HydrophobicContact CZ-CD1 4.14Å; F59-L187 HydrophobicContact CZ-CG 4.33Å; F59-V190 HydrophobicContact CD2-CG1 3.85Å; F59-V190 HydrophobicContact CE2-CB 4.35Å; F59-V190 HydrophobicContact CE2-CG1 3.71Å
60R81.7Confident84.1Confident177 Ų17784.2 Ų84.267%0.66841%0.405SS*.Hα-helixtrans-46.4-45.4-178.5-158.5-175.8-152.4-168.85.3112.9F63 E64R60-F63 PolarHBondContact O-N 3.02Å; R60-E64 VanDerWaalsContact O-CG 3.31Å; R60-E64 WeakPolarHBondContact O-CG 3.35Å; R60-E64 PolarHBondContact O-N 3.44Å
61K81.6Confident84Confident177 Ų17790 Ų9077%0.7742%0.422SS*.Hα-helixtrans-65.5-39.7177.6-69.9-169.9176.3-1740114.2F59 L65F59-K61 PolarHBondContact O-N 3.19Å; K61-L65 WeakPolarHBondContact O-CB 2.93Å; K61-L65 PolarHBondContact O-N 3.34Å; K61-L65 VanDerWaalsContact O-N 3.08Å
62F78.3Confident84Confident105 Ų10594.7 Ų94.746%0.46145%0.446SS..Hα-helixtrans-69.2-39.5179.3177.5-95.2000110.4F59 L65 L66F59-F62 HydrophobicContact CB-CB 4.09Å; F59-F62 HydrophobicContact CD1-CB 4.38Å; F59-F62 PolarHBondContact O-N 2.93Å; F62-L65 PolarHBondContact O-N 3.43Å; F62-L66 WeakPolarHBondContact O-CB 3.35Å; F62-L66 PolarHBondContact O-N 3.21Å
63F79.3Confident83.8Confident35 Ų3595.7 Ų95.715%0.15445%0.453CS..Hα-helixtrans-66-40.6174.5-87.4-77.7000113.1V51 F59 R60 L65 L66 E67V51-F63 HydrophobicContact CB-CZ 4.33Å; V51-F63 HydrophobicContact CG1-CE1 4.13Å; V51-F63 HydrophobicContact CG1-CE2 3.95Å; V51-F63 HydrophobicContact CG1-CZ 3.28Å; V51-F63 VanDerWaalsContact O-CZ 3.26Å; V51-F63 WeakPolarHBondContact O-CZ 3.45Å; F59-F63 HydrophobicContact CB-CD2 4.09Å; F59-F63 HydrophobicContact CB-CE2 4.38Å; F59-F63 PolarHBondContact O-N 3.36Å; R60-F63 PolarHBondContact O-N 3.02Å; F63-L65 PolarHBondContact O-N 2.93Å; F63-L66 PolarHBondContact O-N 3.45Å; F63-E67 WeakPolarHBondContact O-CB 3.34Å; F63-E67 PolarHBondContact O-N 2.96Å
64E83.4Confident83.6Confident101 Ų10193.4 Ų93.447%0.47245%0.446SS..Hα-helixtrans-59.3-38.9172.7-76167.4-172.600111.3R60 S68R60-E64 VanDerWaalsContact O-CG 3.31Å; R60-E64 WeakPolarHBondContact O-CG 3.35Å; R60-E64 PolarHBondContact O-N 3.44Å; E64-S68 VanDerWaalsContact O-CB 3.24Å; E64-S68 WeakPolarHBondContact O-CB 3.34Å; E64-S68 PolarHBondContact O-N 3.33Å; E64-S68 PolarHBondContact O-OG 3.42Å
65L81.7Confident83.5Confident123 Ų12394.6 Ų94.664%0.64446%0.459SS*.Hα-helixtrans-72.6-42177.8-159.3152.1000111.9K61 F62 F63 S68 C69K61-L65 WeakPolarHBondContact O-CB 2.93Å; K61-L65 PolarHBondContact O-N 3.34Å; K61-L65 VanDerWaalsContact O-N 3.08Å; F62-L65 PolarHBondContact O-N 3.43Å; F63-L65 PolarHBondContact O-N 2.93Å; L65-S68 WeakPolarHBondContact O-CB 3.36Å; L65-S68 PolarHBondContact O-N 3.23Å; L65-C69 VanDerWaalsContact O-CB 3.32Å; L65-C69 WeakPolarHBondContact O-CB 3.44Å; L65-C69 PolarHBondContact O-N 2.99Å
66L78.5Confident83.3Confident57 Ų5798.4 Ų98.430%0.29849%0.485SS..Hα-helixtrans-63.3-45.3175.2-170.780.9000110.8W48 F62 F63 S68 C69 L70W48-L66 HydrophobicContact CH2-CD2 4.35Å; F62-L66 WeakPolarHBondContact O-CB 3.35Å; F62-L66 PolarHBondContact O-N 3.21Å; F63-L66 PolarHBondContact O-N 3.45Å; L66-S68 VanDerWaalsContact C-N 3.33Å; L66-C69 WeakPolarHBondContact O-CB 3.46Å; L66-C69 PolarHBondContact O-N 2.99Å; L66-L70 HydrophobicContact CD2-CD1 4.44Å; L66-L70 HydrophobicContact CG-CD1 4.21Å; L66-L70 WeakPolarHBondContact O-CB 3.49Å; L66-L70 VanDerWaalsContact O-CG 3.32Å; L66-L70 WeakPolarHBondContact O-CG 3.45Å; L66-L70 PolarHBondContact O-N 3.36Å
67E86.1Confident83Confident95 Ų9594.9 Ų94.944%0.44449%0.485SS..Hα-helixtrans-63.1-41.9175.8-171.9-178.4172.500110.7F63 C69 L70 R71F63-E67 WeakPolarHBondContact O-CB 3.34Å; F63-E67 PolarHBondContact O-N 2.96Å; E67-C69 VanDerWaalsContact C-N 3.34Å; E67-C69 PolarHBondContact O-N 3.33Å; E67-L70 PolarHBondContact O-N 2.96Å; E67-R71 WeakPolarHBondContact O-CB 3.3Å; E67-R71 VanDerWaalsContact O-CG 3.29Å; E67-R71 WeakPolarHBondContact O-CG 3.26Å; E67-R71 PolarHBondContact O-N 3.29Å; E67-R71 IonicContact OE1-CZ 3.41Å; E67-R71 IonicContact OE1-NE 3.38Å; E67-R71 PolarHBondContact OE1-NE 3.18Å; E67-R71 IonicContact OE1-NH2 2.66Å; E67-R71 PolarHBondContact OE1-NH2 3.29Å
68S87.9Confident82.9Confident63 Ų6397.3 Ų97.344%0.44149%0.487SS..Hα-helixtrans-61-44.1173.3-62.40000111.3E64 L65 L66 R71 I72E64-S68 VanDerWaalsContact O-CB 3.24Å; E64-S68 WeakPolarHBondContact O-CB 3.34Å; E64-S68 PolarHBondContact O-N 3.33Å; E64-S68 PolarHBondContact O-OG 3.42Å; L65-S68 WeakPolarHBondContact O-CB 3.36Å; L65-S68 PolarHBondContact O-N 3.23Å; L66-S68 VanDerWaalsContact C-N 3.33Å; S68-R71 PolarHBondContact O-N 3.39Å; S68-I72 WeakPolarHBondContact O-CD1 3.33Å; S68-I72 WeakPolarHBondContact O-CG1 3.39Å; S68-I72 PolarHBondContact O-N 2.98Å
69C82.3Confident82.6Confident60 Ų6099 Ų9941%0.40550%0.503SS..Hα-helixtrans-64-45177.4-171.70000111.8L65 L66 E67 I72 L73L65-C69 VanDerWaalsContact O-CB 3.32Å; L65-C69 WeakPolarHBondContact O-CB 3.44Å; L65-C69 PolarHBondContact O-N 2.99Å; L66-C69 WeakPolarHBondContact O-CB 3.46Å; L66-C69 PolarHBondContact O-N 2.99Å; E67-C69 VanDerWaalsContact C-N 3.34Å; E67-C69 PolarHBondContact O-N 3.33Å; C69-I72 PolarHBondContact O-N 3.5Å; C69-L73 WeakPolarHBondContact O-CB 3.27Å; C69-L73 WeakPolarHBondContact O-CG 2.99Å; C69-L73 PolarHBondContact O-N 2.86Å
70L85.1Confident82.4Confident88 Ų88104.4 Ų104.446%0.46153%0.526SS..Hα-helixtrans-65.2-39.3176.9-73.4172.8000112.1W48 L66 E67 L73 G74W48-L70 HydrophobicContact CH2-CD1 4.32Å; L66-L70 HydrophobicContact CD2-CD1 4.44Å; L66-L70 HydrophobicContact CG-CD1 4.21Å; L66-L70 WeakPolarHBondContact O-CB 3.49Å; L66-L70 VanDerWaalsContact O-CG 3.32Å; L66-L70 WeakPolarHBondContact O-CG 3.45Å; L66-L70 PolarHBondContact O-N 3.36Å; E67-L70 PolarHBondContact O-N 2.96Å; L70-L73 PolarHBondContact O-N 3.47Å; L70-G74 PolarHBondContact O-N 3.32Å
71R90.1Very high81.6Confident165 Ų16599.6 Ų99.662%0.62352%0.519SS*.Hα-helixtrans-62.4-44.2172.6-75.9-177.8-164-1686.8111.1E67 S68 G74 S75E67-R71 WeakPolarHBondContact O-CB 3.3Å; E67-R71 VanDerWaalsContact O-CG 3.29Å; E67-R71 WeakPolarHBondContact O-CG 3.26Å; E67-R71 PolarHBondContact O-N 3.29Å; E67-R71 IonicContact OE1-CZ 3.41Å; E67-R71 IonicContact OE1-NE 3.38Å; E67-R71 PolarHBondContact OE1-NE 3.18Å; E67-R71 IonicContact OE1-NH2 2.66Å; E67-R71 PolarHBondContact OE1-NH2 3.29Å; S68-R71 PolarHBondContact O-N 3.39Å; R71-G74 PolarHBondContact O-N 2.99Å; R71-S75 WeakPolarHBondContact O-CB 3.48Å; R71-S75 PolarHBondContact O-N 2.9Å; R71-S75 PolarHBondContact O-OG 3.28Å
72I89.7Confident80.9Confident109 Ų10998 Ų9856%0.55952%0.515SS*.Hα-helixtrans-61.3-47.5176.6-68.3162.6000110.4S68 C69 G74 S75 C76S68-I72 WeakPolarHBondContact O-CD1 3.33Å; S68-I72 WeakPolarHBondContact O-CG1 3.39Å; S68-I72 PolarHBondContact O-N 2.98Å; C69-I72 PolarHBondContact O-N 3.5Å; I72-G74 PolarHBondContact O-N 3.29Å; I72-S75 PolarHBondContact O-N 2.94Å; I72-C76 WeakPolarHBondContact O-CB 3.27Å; I72-C76 PolarHBondContact O-N 3.21Å; I72-C76 PolarHBondContact O-SG 3.45Å
73L85.1Confident80.2Confident100 Ų100100.9 Ų100.952%0.52453%0.527SS..Hα-helixtrans-62.5-39.7177.4-72.1168.8000112.4C69 L70 S77C69-L73 WeakPolarHBondContact O-CB 3.27Å; C69-L73 WeakPolarHBondContact O-CG 2.99Å; C69-L73 PolarHBondContact O-N 2.86Å; L70-L73 PolarHBondContact O-N 3.47Å; L73-S77 WeakPolarHBondContact O-CB 3.19Å; L73-S77 PolarHBondContact O-N 3.39Å; L73-S77 PolarHBondContact O-OG 3.27Å
74G84.7Confident79.5Confident37 Ų37106.3 Ų106.338%0.38155%0.553SS.*Hα-helixtrans-66.2-42.4175.700000112.9L70 R71 I72 S77 R78L70-G74 PolarHBondContact O-N 3.32Å; R71-G74 PolarHBondContact O-N 2.99Å; I72-G74 PolarHBondContact O-N 3.29Å; G74-S77 PolarHBondContact O-N 2.69Å; G74-R78 PolarHBondContact O-N 2.91Å; G74-R78 VanDerWaalsContact O-N 3.1Å
75S87.1Confident78.3Confident75 Ų75107 Ų10752%0.52456%0.56SS.*Hα-helixtrans-64.4-44174.1-71.30000111.9R71 I72 S77 R78 C79R71-S75 WeakPolarHBondContact O-CB 3.48Å; R71-S75 PolarHBondContact O-N 2.9Å; R71-S75 PolarHBondContact O-OG 3.28Å; I72-S75 PolarHBondContact O-N 2.94Å; S75-S77 VanDerWaalsContact C-N 3.28Å; S75-S77 PolarHBondContact O-N 3.05Å; S75-R78 PolarHBondContact O-N 3.4Å; S75-C79 PolarHBondContact O-N 2.99Å; S75-C79 PolarHBondContact O-SG 3.31Å; S75-C79 VanDerWaalsContact O-SG 3.34Å
76C80.5Confident77.2Confident79 Ų79108.6 Ų108.653%0.53456%0.564SS.*Hα-helixtrans-60.9-38175.6-72.70000112.3I72 C79 K80I72-C76 WeakPolarHBondContact O-CB 3.27Å; I72-C76 PolarHBondContact O-N 3.21Å; I72-C76 PolarHBondContact O-SG 3.45Å; C76-C79 PolarHBondContact O-N 2.93Å; C76-K80 PolarHBondContact O-N 3.47Å
77S78.8Confident76.3Confident84 Ų84112.6 Ų112.659%0.58758%0.584SS**Hα-helixtrans-67-40177.7-58.30000112L73 G74 S75 K80L73-S77 WeakPolarHBondContact O-CB 3.19Å; L73-S77 PolarHBondContact O-N 3.39Å; L73-S77 PolarHBondContact O-OG 3.27Å; G74-S77 PolarHBondContact O-N 2.69Å; S75-S77 VanDerWaalsContact C-N 3.28Å; S75-S77 PolarHBondContact O-N 3.05Å; S77-K80 PolarHBondContact O-N 3.39Å
78R79.1Confident75.1Confident207 Ų207116.3 Ų116.378%0.78160%0.601SS**Hα-helixtrans-65.3-42.4174.5-85.5-172168.1-167.9-3112.9G74 S75 K80 S81G74-R78 PolarHBondContact O-N 2.91Å; G74-R78 VanDerWaalsContact O-N 3.1Å; S75-R78 PolarHBondContact O-N 3.4Å; R78-K80 PolarHBondContact O-N 2.88Å; R78-S81 PolarHBondContact O-N 3.1Å
79C73.2Confident73.6Confident87 Ų87120.3 Ų120.359%0.58862%0.618SS**Hα-helixtrans-62.7-25.7179.5-67.60000113.5S75 C76S75-C79 PolarHBondContact O-N 2.99Å; S75-C79 PolarHBondContact O-SG 3.31Å; S75-C79 VanDerWaalsContact O-SG 3.34Å; C76-C79 PolarHBondContact O-N 2.93Å
80K75.3Confident72.3Confident169 Ų169126.3 Ų126.374%0.73564%0.64SS**Hα-helixtrans-76.4-35.3177.3-158.8173.7-179-177.30112.4C76 S77 R78 E82C76-K80 PolarHBondContact O-N 3.47Å; S77-K80 PolarHBondContact O-N 3.39Å; R78-K80 PolarHBondContact O-N 2.88Å; K80-E82 VanDerWaalsContact C-N 3.33Å; K80-E82 PolarHBondContact O-N 3.45Å
81S66.2Low70.9Confident75 Ų75131.3 Ų131.352%0.52466%0.658SS.*Hα-helixtrans-69.5-27-179.7-169.90000113.7R78R78-S81 PolarHBondContact O-N 3.1Å
82E67Low69Low145 Ų145129 Ų12968%0.67866%0.664SS**Hα-helixtrans-81.1-26.6-177.6-157.2169.3-175.900112.8K80K80-E82 VanDerWaalsContact C-N 3.33Å; K80-E82 PolarHBondContact O-N 3.45Å
83K63.3Low67.3Low165 Ų165129.7 Ų129.772%0.71768%0.679SS**Hα-helixtrans-72.1-25.9176.9-96.8-175.7175.1-178.70114.1
84E63.9Low65.6Low149 Ų149133.9 Ų133.970%0.69670%0.696SS**Hα-helixtrans-80.4-31.3-178.1-156.9159.5-176.600112H86E84-H86 VanDerWaalsContact C-N 3.32Å; E84-H86 PolarHBondContact O-N 3.43Å
85N59Low63.8Low115 Ų115137.6 Ų137.662%0.61572%0.715SS**Hα-helixtrans-72.1-21.6176.6-71.8-33.3000113.9
86H59.1Low61.9Low156 Ų156144.1 Ų144.172%0.72273%0.728SS**THydrogen-bonded Turntrans-85.2-16.7-179.6-118.4-63.7000114.2E84E84-H86 VanDerWaalsContact C-N 3.32Å; E84-H86 PolarHBondContact O-N 3.43Å
87I59.5Low60.5Low141 Ų141147.3 Ų147.372%0.72374%0.735SS**THydrogen-bonded Turntrans-87.8-21.7-177.8-65.1174.4000111.9N89I87-N89 PolarHBondContact O-N 2.76Å
88Q59.2Low58.7Low173 Ų173151.7 Ų151.781%0.80875%0.746SS**THydrogen-bonded Turntrans-87-1.7-177-143.7169.813.200115
89N57.1Low57.2Low148 Ų148147.5 Ų147.579%0.79175%0.749SS**THydrogen-bonded Turntrans-109.47179.3-96.1-23.6000115.7I87 K91I87-N89 PolarHBondContact O-N 2.76Å; N89-K91 PolarHBondContact O-N 3.06Å
90Q56.3Low55.7Low185 Ų185148.7 Ų148.786%0.86476%0.756SS**  trans-92.774.2165-87.7-173.4-7.100110.6
91K55.3Low54.3Low193 Ų193148.5 Ų148.584%0.83976%0.758SS**  trans-81.8124.4161.5-155.2173.4-172.81790107.5N89 S93N89-K91 PolarHBondContact O-N 3.06Å; K91-S93 PolarHBondContact O-N 3.25Å; K91-S93 VanDerWaalsContact O-N 3.15Å
92P49.8Very low53.3Low117 Ų117151.1 Ų151.176%0.7676%0.762SS**  trans-74.3108.5-173.428.3-31.3000110Q94P92-Q94 PolarHBondContact O-N 3.17Å; P92-Q94 VanDerWaalsContact O-N 3.14Å
93S54Low52Low124 Ų124154.7 Ų154.787%0.86777%0.769SS**  trans-76.697.1166.354.20000109.1K91K91-S93 PolarHBondContact O-N 3.25Å; K91-S93 VanDerWaalsContact O-N 3.15Å
94Q49.9Very low51.1Low188 Ų188150.6 Ų150.688%0.87976%0.762SS**  trans-82.3107.2168-170.8-176.723.400108.4P92P92-Q94 PolarHBondContact O-N 3.17Å; P92-Q94 VanDerWaalsContact O-N 3.14Å
95C47.2Very low50.1Low114 Ų114149.7 Ų149.777%0.7776%0.761SS**  trans-177.8128.8147.2-121.80000114.3
96R46.4Very low49.4Very low212 Ų212152 Ų15280%0.877%0.768SS**  trans81.6101133.5-128160.3179.91720118.1
97Q51.4Low48.7Very low147 Ų147151.2 Ų151.269%0.68777%0.765SS**  86.492.391.9-156164.518.800111
98E41.1Very low48.2Very low176 Ų176150.3 Ų150.382%0.82276%0.761SS**  46.2106.8105.5-77.3-172.8163.600113.8
99S47.2Very low47.4Very low119 Ų119149 Ų14983%0.83276%0.759SS**  trans173.4110138.7-74.20000110.9
100C42.3Very low47Very low111 Ų111148 Ų14875%0.7575%0.752SS**  trans37.6142.8139.7-61.90000122.9
101Q46.3Very low46.5Very low165 Ų165144 Ų14477%0.77174%0.744SS**  trans78.7139.2140.6-105.2145.5-34.300116.5
102Q43.8Very low46.1Very low130 Ų130142 Ų14261%0.60774%0.741SS**  cis167.2143-5.8166.4165.1-4.400102.8
103R41Very low45.7Very low221 Ų221141.5 Ų141.583%0.83474%0.741SS**  trans65151.5166.7-86.5172.9159.8158.6-6.6115.7
104S43.6Very low45.3Very low79 Ų79147.5 Ų147.555%0.55274%0.744SS**  cis173.4150.9-16.853.60000103.8
105N43.6Very low44.8Very low129 Ų129142.8 Ų142.869%0.6974%0.738SS**  trans85.9121.7147-67.2-15.4000120
106H43.8Very low44.8Very low165 Ų165143 Ų14376%0.76474%0.741SS**  trans74143133.3-81.2-102.6000116
107H43.8Very low44.6Very low139 Ų139138.1 Ų138.164%0.64474%0.738SS**  cis168.11658.6170.9-87.5000105.5
108L48.5Very low44.2Very low122 Ų122138.3 Ų138.364%0.63974%0.744SS**  trans79.6109.4174.2-80.2130.1000116.8I110L108-I110 HydrophobicContact CD2-CD1 3.91Å
109D42.9Very low44.8Very low144 Ų144134.8 Ų134.877%0.7773%0.734SS**  cis90.8154.840.1-156.913.4000113
110I48.3Very low44.7Very low127 Ų127135 Ų13565%0.65173%0.732SS**  trans87.9126.5166-53.8167.7000114.7L108L108-I110 HydrophobicContact CD2-CD1 3.91Å
111C46.4Very low45.3Very low103 Ų103137 Ų13770%0.69673%0.734SS**  cis-167141.112.7-110.80000107.4
112L47.8Very low45Very low150 Ų150133.7 Ų133.779%0.78573%0.729SS**  107.6100.765.1-143.6111.2000113.8
113S40.3Very low45.1Very low106 Ų106136 Ų13674%0.74174%0.74SS**  35.5127.9127.7-48.50000123.8
114R45.1Very low45Very low251 Ų251130.5 Ų130.595%0.94774%0.735SS**  trans-174.6114.4139.4-117.1175.8168.8147.1-2.6107.7
115A41.3Very low45.1Very low89 Ų89132.4 Ų132.474%0.73675%0.749SS**  cis75.9112.637.400000115.8
116S45.3Very low45Very low119 Ų119133.7 Ų133.783%0.83276%0.756SS**  trans154.1116.1143.8-65.20000109.2
117S42.3Very low45Very low108 Ų108131.2 Ų131.276%0.75576%0.757SS**  cis82.6144.945.6-170.60000115.2
118L44.9Very low45.1Very low152 Ų152130.9 Ų130.980%0.79676%0.764SS**  trans89.7133.6169.6-61.4121.5000116.8
119V53Low45Very low101 Ų101129.3 Ų129.361%0.61276%0.763SS**  cis-171.2149.48.2140.40000108.9I121V119-I121 HydrophobicContact CG1-CD1 4Å; V119-I121 HydrophobicContact CG1-CG1 3.8Å
120P43.8Very low45.1Very low123 Ų123129.3 Ų129.380%0.79976%0.763SS**  trans-110.2135.5161.135.2-23.1000111.9
121I56.3Low44.9Very low153 Ų153129.2 Ų129.279%0.78576%0.764SS**  trans-138.6125.8172.4-70.1179.2000112V119V119-I121 HydrophobicContact CG1-CD1 4Å; V119-I121 HydrophobicContact CG1-CG1 3.8Å
122S40.2Very low44.9Very low96 Ų96131.6 Ų131.667%0.67177%0.765SS**  trans-75.1156.7167.144.70000114.6
123Q45.2Very low44.9Very low178 Ų178130.6 Ų130.683%0.83276%0.76SS**  trans149.7115.4143.5-82.8168.512.600109.6
124S38.6Very low44.9Very low107 Ų107135.3 Ų135.375%0.74876%0.761SS**  64.6107.173.1167.10000114
125S45.8Very low44.9Very low119 Ų119129.8 Ų129.883%0.83275%0.751SS**  164147.7122.4470000114.3
126N41Very low45.1Very low156 Ų156135 Ų13583%0.83476%0.76SS**  trans-72.7158.1-176.9-61-46.8000114.5
127S45.1Very low44.9Very low112 Ų112133.2 Ų133.278%0.78376%0.76SS**  trans162.3117.3134.944.90000109.1
128V45.4Very low45.1Very low133 Ų133131.7 Ų131.781%0.80676%0.762SS**  82.9118.474172.30000113.5
129S45.9Very low44.9Very low88 Ų88129.9 Ų129.962%0.61576%0.762SS**  trans75.5119.9144.175.50000123.1
130N44.8Very low44.6Very low144 Ų144132.1 Ų132.177%0.7777%0.77SS**  90121.8117-69.2-1.9000121.9
131N45.5Very low44.5Very low125 Ų125131.5 Ų131.567%0.66876%0.764SS**  76.1134.4128.8-85.919.7000122.1
132E45.7Very low43.9Very low153 Ų153129 Ų12972%0.71576%0.76SS**  trans73144.4137.2-82.6-177.488.700117.3
133L46.9Very low44.3Very low129 Ų129131.2 Ų131.268%0.67577%0.769SS**  cis-175.2159.2-4.5-171.182.2000103.5
134R41.7Very low44.6Very low205 Ų205129 Ų12977%0.77476%0.763SS**  trans91.1105.5139.8-122.3-178.6171.5173.7-4.6120.3
135N45Very low45.1Very low135 Ų135131.2 Ų131.272%0.72277%0.766SS**  66148.8120.3-71.2-2.7000124.3
136Q44.4Very low45.2Very low199 Ų199129.4 Ų129.493%0.9376%0.758SS**  trans93.4131.6161.7-56.8-167.520.100114
137G41.6Very low45.5Very low81 Ų81128.3 Ų128.384%0.83576%0.763SS**  cis159.6156.36.200000108.8
138G45.5Very low45.4Very low77 Ų77127.5 Ų127.579%0.79476%0.763SS**  trans109.699.7171.100000113.5
139S41.5Very low45.8Very low114 Ų114129.3 Ų129.380%0.79777%0.767SS**  66.2110.767-1650000114.4
140L46Very low45.5Very low148 Ų148132.5 Ų132.578%0.77578%0.777SS**  175.1131.1119-91.1158000113
141T43.4Very low45.9Very low110 Ų110132.9 Ų132.968%0.67578%0.778SS**  trans59.5104.7143.753.10000119.9
142S42.8Very low46.1Very low100 Ų100135.6 Ų135.670%0.69979%0.786SS**  74122.482.180.50000115
143V49.4Very low46Very low143 Ų143137 Ų13787%0.86779%0.793SS**  -168.6144.8128.8151.20000108.6
144N50.3Low46.2Very low131 Ų131136.4 Ų136.470%0.70180%0.799SS**  trans-87.4177.3-158.5-60.8-35.5000115.5
145N50.1Low46.2Very low154 Ų154132 Ų13282%0.82480%0.798SS**  trans92.4143.7149.1-57.8-20.8000115.9
146A48Very low46.7Very low81 Ų81135.3 Ų135.367%0.66981%0.808SS**  cis-178.3136.8-21.500000103.2
147S45.9Very low46.8Very low132 Ų132134.5 Ų134.592%0.92381%0.81SS**  trans168.9113.6143.6-77.30000109.7
148A44.5Very low47.2Very low95 Ų95134 Ų13479%0.78581%0.805SS**  trans-85147.818000000111.8
149L53Low47.4Very low172 Ų172138.4 Ų138.490%0.90181%0.81SS**  trans-143.4105148.6-157.684.5000108.5
150N40Very low47.8Very low155 Ų155140.6 Ų140.683%0.82981%0.813SS**  trans-78.5133.9172.3-98.3-33.2000110.1
151I52.1Low47.9Very low151 Ų151138.9 Ų138.977%0.77481%0.812SS**  trans-148.5123.6144.6-62.2-169000110.8
152H49.6Very low48.2Very low183 Ų183140.3 Ų140.385%0.84782%0.82SS**  trans76116.4156.3-94.4-76.5000124.7
153Q44Very low48.5Very low182 Ų182145.2 Ų145.285%0.8583%0.829SS**  trans-74.9151160.1-67.5167.2-26.300112.6
154S50.8Low48.5Very low116 Ų116146.2 Ų146.281%0.81183%0.83SS**  -169.8132.6123.9-165.30000110.6
155P43.4Very low48.3Very low114 Ų114151.1 Ų151.174%0.7484%0.838SS**  trans-104.9129.7175.835.1-23.4000111.5
156E53.8Low48.4Very low203 Ų203152.1 Ų152.195%0.94984%0.838SS**  trans-141.3138153.2-89.9-159.4132.100111.9
157L46.3Very low48.5Very low183 Ų183153.4 Ų153.496%0.95884%0.838SS**  trans-84125.9-173.1-16883000108.6
158G51.2Low48.4Very low71 Ų71152.8 Ų152.873%0.73283%0.829SS**  trans-160.895.9175.900000111.1D160G158-D160 PolarHBondContact O-N 3.33Å
159N49.2Very low48.6Very low168 Ų168157.2 Ų157.290%0.89883%0.83SS**  trans-57.7121.3164.6-92.9-18.3000109
160D50Low48.3Very low161 Ų161154 Ų15486%0.86182%0.818SS**  trans-154.7136.3137.3-127.6-22.6000113.1G158G158-D160 PolarHBondContact O-N 3.33Å
161C47.5Very low48.6Very low112 Ų112155.9 Ų155.976%0.75782%0.819SS**  trans-69.3128.4174.2-76.50000109.5
162T51.2Low48.3Very low139 Ų139154.3 Ų154.385%0.85382%0.817SS**  trans-174.6131.9130.419.80000112N164T162-N164 PolarHBondContact O-N 2.87Å; T162-N164 VanDerWaalsContact O-N 3.17Å
163K48.3Very low48.2Very low204 Ų204154 Ų15489%0.88781%0.813SS**  trans-37.7115160.3-72.7165.2170.8169.70110.9
164N49.9Very low48.4Very low164 Ų164150.2 Ų150.288%0.87780%0.803SS**  trans-151.1121.3135.1-100.6-26.5000111.5T162 E166T162-N164 PolarHBondContact O-N 2.87Å; T162-N164 VanDerWaalsContact O-N 3.17Å; N164-E166 PolarHBondContact O-N 2.92Å; N164-E166 VanDerWaalsContact O-N 3.08Å
165R46.8Very low48.3Very low233 Ų233153.6 Ų153.688%0.87980%0.803SS**  trans-66.196.9-178.4-179.1177.4178.3167.7-1.2108.2T167R165-T167 PolarHBondContact O-N 3.11Å
166E51.9Low48.5Very low175 Ų175157.9 Ų157.982%0.81880%0.804SS**  trans-60.2106165.5-73.3-172.8152.700108.4N164 T168N164-E166 PolarHBondContact O-N 2.92Å; N164-E166 VanDerWaalsContact O-N 3.08Å; E166-T168 PolarHBondContact O-N 3.37Å
167T49.6Very low48.4Very low109 Ų109152 Ų15267%0.66978%0.779SS**  trans-66.787.1165.944.20000108.4R165 K169R165-T167 PolarHBondContact O-N 3.11Å; T167-K169 PolarHBondContact O-N 2.91Å
168T44.6Very low48.8Very low119 Ų119147.5 Ų147.573%0.7376%0.759SS**  trans-61.987.6157.3-29.70000106.8E166 T170E166-T168 PolarHBondContact O-N 3.37Å; T168-T170 PolarHBondContact O-N 3.35Å
169K46.6Very low49.3Very low187 Ų187150.6 Ų150.681%0.81376%0.756SS**  trans-69.289.3167.7-77.2-176.9-179.7174.10107.2T167 F171T167-K169 PolarHBondContact O-N 2.91Å; K169-F171 PolarHBondContact O-N 2.95Å; K169-F171 VanDerWaalsContact O-N 3.15Å
170T47.9Very low49.9Very low104 Ų104146.6 Ų146.664%0.63873%0.732SS**  trans-52111.8167.824.90000110.1T168 T172T168-T170 PolarHBondContact O-N 3.35Å; T170-T172 PolarHBondContact O-N 3.42Å; T170-T172 PolarHBondContact O-OG1 3.34Å; T170-T172 VanDerWaalsContact O-OG1 3.07Å
171F45.1Very low50.7Low196 Ų196141.4 Ų141.486%0.8671%0.706SS**  trans-49.694.4163-99.8-101.1000109.8K169K169-F171 PolarHBondContact O-N 2.95Å; K169-F171 VanDerWaalsContact O-N 3.15Å
172T46Very low52Low118 Ų118139.7 Ų139.772%0.72469%0.689SS**  trans-12829.3178.1430000111.7T170T170-T172 PolarHBondContact O-N 3.42Å; T170-T172 PolarHBondContact O-OG1 3.34Å; T170-T172 VanDerWaalsContact O-OG1 3.07Å
173F47.9Very low53.3Low177 Ų177136.3 Ų136.378%0.77667%0.666SS**  trans-107.32.6-177.9-126.5-90.9000115.4
174T48.2Very low55Low102 Ų102128 Ų12863%0.62663%0.631SS**SBendtrans-99.1-13.2-171.7-3.60000115.4
175K48.4Very low56.8Low187 Ų187120.4 Ų120.481%0.81359%0.591SS**Hα-helixtrans-86.5-21.2-175-163.1169.8-178.5175.90114.7
176R48Very low58.7Low203 Ų203111.8 Ų111.877%0.76656%0.562SS**Hα-helixtrans-87.9-24.3-172.7-153.8179.2-110.2129.7-6114.1
177N51Low60.5Low81 Ų81105.5 Ų105.543%0.43353%0.534SS..Hα-helixtrans-80.2-31.9-178.8-69.8-6000112.8M179 H180 T181N177-M179 VanDerWaalsContact C-N 3.29Å; N177-M179 PolarHBondContact O-N 3.15Å; N177-H180 PolarHBondContact O-N 3.2Å; N177-T181 PolarHBondContact O-N 2.86Å
178V56.4Low62.5Low88 Ų88100.3 Ų100.353%0.53350%0.502SS..Hα-helixtrans-59.6-40.8177.8-178.30000111H180 T181V178-H180 VanDerWaalsContact C-N 3.27Å; V178-H180 PolarHBondContact O-N 2.9Å; V178-T181 PolarHBondContact O-OG1 3.38Å
179M60.4Low64.7Low136 Ų13697.1 Ų97.167%0.6748%0.48SS*.Hα-helixtrans-67.5-23.2176.9-78.1-175.115100114.1N177 L183N177-M179 VanDerWaalsContact C-N 3.29Å; N177-M179 PolarHBondContact O-N 3.15Å; M179-L183 WeakPolarHBondContact O-CD1 3.38Å; M179-L183 VanDerWaalsContact O-CG 3.31Å; M179-L183 WeakPolarHBondContact O-CG 3.19Å
180H63Low66.8Low84 Ų8488.2 Ų88.239%0.38944%0.441SS..Hα-helixtrans-82.9-33-176-93.8-57.1000113.3N177 V178N177-H180 PolarHBondContact O-N 3.2Å; V178-H180 VanDerWaalsContact C-N 3.27Å; V178-H180 PolarHBondContact O-N 2.9Å
181T66.6Low68.9Low52 Ų5284.4 Ų84.432%0.31942%0.417SS..Hα-helixtrans-68.2-41.4175.542.20000111.1N177 V178 L183 N184 S185N177-T181 PolarHBondContact O-N 2.86Å; V178-T181 PolarHBondContact O-OG1 3.38Å; T181-L183 VanDerWaalsContact C-N 3.28Å; T181-L183 PolarHBondContact O-N 3.44Å; T181-N184 PolarHBondContact O-N 2.98Å; T181-N184 VanDerWaalsContact O-N 3.1Å; T181-S185 PolarHBondContact O-N 3.13Å
182D73.3Confident71.2Confident75 Ų7576.4 Ų76.440%0.40138%0.383SS..Hα-helixtrans-60.2-40.7-179.9-61.9-18.5000111.3N184 S185 D186D182-N184 VanDerWaalsContact C-N 3.3Å; D182-N184 PolarHBondContact O-N 3.32Å; D182-S185 PolarHBondContact O-N 2.72Å; D182-D186 WeakPolarHBondContact O-CB 3.5Å; D182-D186 PolarHBondContact O-N 2.77Å
183L80.1Confident73.5Confident68 Ų6871 Ų7136%0.35635%0.35SS..Hα-helixtrans-63.5-30.5177.8-70.1170.4000114.1M179 T181 L187M179-L183 WeakPolarHBondContact O-CD1 3.38Å; M179-L183 VanDerWaalsContact O-CG 3.31Å; M179-L183 WeakPolarHBondContact O-CG 3.19Å; T181-L183 VanDerWaalsContact C-N 3.28Å; T181-L183 PolarHBondContact O-N 3.44Å; L183-L187 VanDerWaalsContact O-CB 3.29Å; L183-L187 WeakPolarHBondContact O-CB 3.44Å; L183-L187 PolarHBondContact O-N 3.43Å; L183-L187 VanDerWaalsContact O-N 3.1Å
184N83.6Confident75.5Confident29 Ų2964.4 Ų64.416%0.15532%0.323CS..Hα-helixtrans-74.2-45.7179.2-74.1-20.1000110.8T181 D182 L187 L188 M264T181-N184 PolarHBondContact O-N 2.98Å; T181-N184 VanDerWaalsContact O-N 3.1Å; D182-N184 VanDerWaalsContact C-N 3.3Å; D182-N184 PolarHBondContact O-N 3.32Å; N184-L187 PolarHBondContact O-N 3.01Å; N184-L188 PolarHBondContact O-N 3.42Å; N184-L188 VanDerWaalsContact O-N 3.12Å; N184-M264 HydrophobicContact CB-CE 3.98Å
185S86.1Confident77.7Confident5 Ų559.7 Ų59.74%0.03529%0.294CS..Hα-helixtrans-66.2-40.5177.3-50.10000110.8T181 D182 L187 L188 I189 D246T181-S185 PolarHBondContact O-N 3.13Å; D182-S185 PolarHBondContact O-N 2.72Å; S185-L187 VanDerWaalsContact C-N 3.29Å; S185-L187 PolarHBondContact O-N 3.41Å; S185-L188 PolarHBondContact O-N 2.89Å; S185-I189 VanDerWaalsContact O-CG1 3.31Å; S185-I189 WeakPolarHBondContact O-CG1 3.22Å; S185-I189 PolarHBondContact O-N 2.84Å; S185-D246 PolarHBondContact OG-OD2 3.21Å
186D88.5Confident79.9Confident53 Ų5352.8 Ų52.828%0.28327%0.266SS..Hα-helixtrans-60.7-38.9174.6-71.3-10.3000111.8I54 I58 D182 I189 V190I54-D186 HydrophobicContact CG2-CB 3.96Å; I58-D186 HydrophobicContact CD1-CB 3.86Å; D182-D186 WeakPolarHBondContact O-CB 3.5Å; D182-D186 PolarHBondContact O-N 2.77Å; D186-I189 PolarHBondContact O-N 3.05Å; D186-V190 VanDerWaalsContact O-CG2 3.27Å; D186-V190 WeakPolarHBondContact O-CG2 3.28Å; D186-V190 PolarHBondContact O-N 2.98Å
187L89Confident81.9Confident42 Ų4244.9 Ų44.922%0.2224%0.238CC..Hα-helixtrans-65.1-40.4176.2-178.3145.1000112.2F59 L183 N184 S185 V190 L191 I268F59-L187 HydrophobicContact CZ-CD1 4.14Å; F59-L187 HydrophobicContact CZ-CG 4.33Å; L183-L187 VanDerWaalsContact O-CB 3.29Å; L183-L187 WeakPolarHBondContact O-CB 3.44Å; L183-L187 PolarHBondContact O-N 3.43Å; L183-L187 VanDerWaalsContact O-N 3.1Å; N184-L187 PolarHBondContact O-N 3.01Å; S185-L187 VanDerWaalsContact C-N 3.29Å; S185-L187 PolarHBondContact O-N 3.41Å; L187-V190 PolarHBondContact O-N 2.87Å; L187-L191 HydrophobicContact CD2-CD1 3.59Å; L187-L191 HydrophobicContact CD2-CG 4.35Å; L187-L191 HydrophobicContact CG-CD1 4.48Å; L187-L191 WeakPolarHBondContact O-CG 3.07Å; L187-L191 PolarHBondContact O-N 3.19Å; L187-I268 HydrophobicContact CD2-CD1 3.64Å
188L90.8Very high83.8Confident1 Ų144 Ų441%0.00523%0.233CC..Hα-helixtrans-64.6-41.8174.7-70.4174000111.7N184 S185 L191 L192 F239 I242 I243 D246 M264N184-L188 PolarHBondContact O-N 3.42Å; N184-L188 VanDerWaalsContact O-N 3.12Å; S185-L188 PolarHBondContact O-N 2.89Å; L188-L191 PolarHBondContact O-N 3.23Å; L188-L192 PolarHBondContact O-N 3.35Å; L188-F239 HydrophobicContact CD2-CD1 4.39Å; L188-I242 HydrophobicContact CD1-CG2 3.89Å; L188-I242 HydrophobicContact CD2-CG2 4.08Å; L188-I243 HydrophobicContact CB-CD1 4.23Å; L188-I243 HydrophobicContact CB-CG1 3.76Å; L188-I243 HydrophobicContact CD1-CG1 4.11Å; L188-D246 HydrophobicContact CD1-CB 4.4Å; L188-M264 HydrophobicContact CD1-CE 3.72Å; L188-M264 HydrophobicContact CD2-CE 3.83Å; L188-M264 HydrophobicContact CG-CE 3.56Å
189I91.9Very high85.5Confident52 Ų5241.2 Ų41.227%0.26722%0.215SC..Hα-helixtrans-62.9-43.5176.9-67.3164000110.6V50 I54 S185 D186 L192 A193V50-I189 HydrophobicContact CG1-CG2 4.24Å; I54-I189 HydrophobicContact CD1-CG2 4.25Å; S185-I189 VanDerWaalsContact O-CG1 3.31Å; S185-I189 WeakPolarHBondContact O-CG1 3.22Å; S185-I189 PolarHBondContact O-N 2.84Å; D186-I189 PolarHBondContact O-N 3.05Å; I189-L192 PolarHBondContact O-N 3.14Å; I189-A193 PolarHBondContact O-N 2.97Å
190V91.3Very high87Confident0 Ų035.3 Ų35.30%019%0.187CC..Hα-helixtrans-64.9-39.5176.6171.80000111.4I54 F59 D186 L187 A193 I194I54-V190 HydrophobicContact CB-CG2 3.81Å; I54-V190 HydrophobicContact CG2-CG2 3.53Å; F59-V190 HydrophobicContact CD2-CG1 3.85Å; F59-V190 HydrophobicContact CE2-CB 4.35Å; F59-V190 HydrophobicContact CE2-CG1 3.71Å; D186-V190 VanDerWaalsContact O-CG2 3.27Å; D186-V190 WeakPolarHBondContact O-CG2 3.28Å; D186-V190 PolarHBondContact O-N 2.98Å; L187-V190 PolarHBondContact O-N 2.87Å; V190-A193 PolarHBondContact O-N 3.36Å; V190-I194 HydrophobicContact CG1-CD1 3.87Å; V190-I194 HydrophobicContact CG1-CG1 4.4Å; V190-I194 VanDerWaalsContact O-CG1 3.27Å; V190-I194 WeakPolarHBondContact O-CG1 3.32Å; V190-I194 PolarHBondContact O-N 3.45Å
191L90.9Very high88.4Confident24 Ų2434.7 Ų34.713%0.12619%0.189CC..Hα-helixtrans-63.6-40.5175.5-77.1171000112.3L187 L188 I194 N195 F239 I268L187-L191 HydrophobicContact CD2-CD1 3.59Å; L187-L191 HydrophobicContact CD2-CG 4.35Å; L187-L191 HydrophobicContact CG-CD1 4.48Å; L187-L191 WeakPolarHBondContact O-CG 3.07Å; L187-L191 PolarHBondContact O-N 3.19Å; L188-L191 PolarHBondContact O-N 3.23Å; L191-I194 PolarHBondContact O-N 3.27Å; L191-N195 WeakPolarHBondContact O-CB 3.3Å; L191-N195 PolarHBondContact O-N 2.83Å; L191-F239 HydrophobicContact CB-CE1 4.37Å; L191-F239 HydrophobicContact CB-CZ 4.32Å; L191-F239 HydrophobicContact CD1-CE1 4.25Å; L191-F239 HydrophobicContact CD1-CZ 4.46Å; L191-I268 HydrophobicContact CD1-CD1 3.56Å; L191-I268 HydrophobicContact CD1-CG1 3.79Å; L191-I268 HydrophobicContact CD1-CG2 4.08Å
192L93.5Very high89.5Confident27 Ų2735.9 Ų35.914%0.14119%0.192CC..Hα-helixtrans-60.8-47.9174.3-174.969.4000110.7L188 I189 I194 N195 D196 F239 L240 I243L188-L192 PolarHBondContact O-N 3.35Å; I189-L192 PolarHBondContact O-N 3.14Å; L192-I194 VanDerWaalsContact C-N 3.32Å; L192-I194 PolarHBondContact O-N 3.47Å; L192-N195 WeakPolarHBondContact O-CB 3.44Å; L192-N195 PolarHBondContact O-N 3.37Å; L192-N195 VanDerWaalsContact O-N 3.11Å; L192-D196 PolarHBondContact O-N 2.89Å; L192-F239 HydrophobicContact CD1-CB 3.97Å; L192-L240 HydrophobicContact CD1-CD2 4.42Å; L192-L240 HydrophobicContact CD1-CG 4.4Å; L192-L240 HydrophobicContact CD2-CD2 3.7Å; L192-I243 HydrophobicContact CD2-CD1 4.13Å
193A93.6Very high90.4Very high5 Ų533.2 Ų33.24%0.04118%0.178CC..Hα-helixtrans-64.2-34.5178.300000112.9N47 V50 V51 I189 V190 L197N47-A193 HydrophobicContact CB-CB 4.49Å; V50-A193 HydrophobicContact CB-CB 4.2Å; V50-A193 HydrophobicContact CG1-CB 3.87Å; V51-A193 HydrophobicContact CG2-CB 3.49Å; V51-A193 VanDerWaalsContact CG2-CB 3.49Å; I189-A193 PolarHBondContact O-N 2.97Å; V190-A193 PolarHBondContact O-N 3.36Å; A193-L197 VanDerWaalsContact O-CB 3.27Å; A193-L197 WeakPolarHBondContact O-CB 3.33Å; A193-L197 PolarHBondContact O-N 3.37Å
194I91.6Very high90.9Very high39 Ų3930.7 Ų30.720%0.217%0.165CC..Hα-helixtrans-65.7-43.8171.8-69.5165.5000110.6V51 V190 L191 L192 L197 I198V51-I194 HydrophobicContact CG1-CG1 4.25Å; V51-I194 HydrophobicContact CG2-CG1 4.02Å; V190-I194 HydrophobicContact CG1-CD1 3.87Å; V190-I194 HydrophobicContact CG1-CG1 4.4Å; V190-I194 VanDerWaalsContact O-CG1 3.27Å; V190-I194 WeakPolarHBondContact O-CG1 3.32Å; V190-I194 PolarHBondContact O-N 3.45Å; L191-I194 PolarHBondContact O-N 3.27Å; L192-I194 VanDerWaalsContact C-N 3.32Å; L192-I194 PolarHBondContact O-N 3.47Å; I194-L197 WeakPolarHBondContact O-CB 3.34Å; I194-L197 PolarHBondContact O-N 3.15Å; I194-I198 HydrophobicContact CG2-CD1 4.04Å; I194-I198 WeakPolarHBondContact O-CG1 3.49Å; I194-I198 PolarHBondContact O-N 2.84Å
195N93.2Very high91.3Very high3 Ų332.4 Ų32.42%0.01618%0.177CC..Hα-helixtrans-62.5-44.8177.8-173.366.5000111.3L191 L192 L197 I198 I199 T232 S236L191-N195 WeakPolarHBondContact O-CB 3.3Å; L191-N195 PolarHBondContact O-N 2.83Å; L192-N195 WeakPolarHBondContact O-CB 3.44Å; L192-N195 PolarHBondContact O-N 3.37Å; L192-N195 VanDerWaalsContact O-N 3.11Å; N195-L197 VanDerWaalsContact C-N 3.29Å; N195-L197 PolarHBondContact O-N 3.44Å; N195-I198 WeakPolarHBondContact O-CB 3.11Å; N195-I198 PolarHBondContact O-N 3.42Å; N195-I198 VanDerWaalsContact O-N 3.14Å; N195-I199 WeakPolarHBondContact O-CG1 3.23Å; N195-I199 PolarHBondContact O-N 2.99Å; N195-T232 PolarHBondContact ND2-O 3.26Å; N195-S236 WeakPolarHBondContact ND2-CB 3.23Å
196D94Very high91.4Very high42 Ų4233.9 Ų33.923%0.22519%0.186CC..Hα-helixtrans-66.8-32.4177.6-65.7-12.5000111.8N47 L192 I199 C200N47-D196 WeakPolarHBondContact ND2-CB 3.26Å; L192-D196 PolarHBondContact O-N 2.89Å; D196-I199 PolarHBondContact O-N 2.98Å; D196-C200 WeakPolarHBondContact O-CB 3.33Å; D196-C200 PolarHBondContact O-N 3.07Å; D196-C200 PolarHBondContact O-SG 2.96Å
197L91.9Very high91.5Very high36 Ų3632.4 Ų32.419%0.18818%0.179CC..Hα-helixtrans-65.3-43170.5-174.5150.2000111.5N47 W48 A193 I194 N195 I199 C200 V201N47-L197 HydrophobicContact CB-CB 4.29Å; W48-L197 HydrophobicContact CE3-CD1 3.85Å; A193-L197 VanDerWaalsContact O-CB 3.27Å; A193-L197 WeakPolarHBondContact O-CB 3.33Å; A193-L197 PolarHBondContact O-N 3.37Å; I194-L197 WeakPolarHBondContact O-CB 3.34Å; I194-L197 PolarHBondContact O-N 3.15Å; N195-L197 VanDerWaalsContact C-N 3.29Å; N195-L197 PolarHBondContact O-N 3.44Å; L197-I199 VanDerWaalsContact C-N 3.31Å; L197-I199 PolarHBondContact O-N 3.43Å; L197-C200 PolarHBondContact O-N 3.49Å; L197-V201 HydrophobicContact CD2-CG2 3.96Å; L197-V201 HydrophobicContact CG-CG2 4.33Å; L197-V201 WeakPolarHBondContact O-CB 3.3Å; L197-V201 WeakPolarHBondContact O-CG2 3.35Å; L197-V201 PolarHBondContact O-N 3.3Å
198I90.7Very high91.5Very high64 Ų6432.2 Ų32.233%0.32818%0.178SC..Hα-helixtrans-60.2-42.9174.8-69.1165.9000110.3I194 N195 V201 I202I194-I198 HydrophobicContact CG2-CD1 4.04Å; I194-I198 WeakPolarHBondContact O-CG1 3.49Å; I194-I198 PolarHBondContact O-N 2.84Å; N195-I198 WeakPolarHBondContact O-CB 3.11Å; N195-I198 PolarHBondContact O-N 3.42Å; N195-I198 VanDerWaalsContact O-N 3.14Å; I198-V201 PolarHBondContact O-N 2.88Å; I198-I202 HydrophobicContact CG2-CD1 3.95Å; I198-I202 HydrophobicContact CG2-CG1 4.45Å; I198-I202 WeakPolarHBondContact O-CB 3.31Å; I198-I202 PolarHBondContact O-N 2.97Å
199I91.9Very high91.4Very high29 Ų2936.8 Ų36.815%0.14920%0.198CC..Iπ-helixtrans-59.9-50.2174.7-66.3167.6000110.3N195 D196 L197 V201 D203 I204 T232N195-I199 WeakPolarHBondContact O-CG1 3.23Å; N195-I199 PolarHBondContact O-N 2.99Å; D196-I199 PolarHBondContact O-N 2.98Å; L197-I199 VanDerWaalsContact C-N 3.31Å; L197-I199 PolarHBondContact O-N 3.43Å; I199-V201 VanDerWaalsContact C-N 3.27Å; I199-V201 PolarHBondContact O-N 2.91Å; I199-D203 HydrophobicContact CG2-CB 4.07Å; I199-D203 WeakPolarHBondContact O-CA 3.36Å; I199-D203 VanDerWaalsContact O-CB 3.28Å; I199-D203 WeakPolarHBondContact O-CB 3.43Å; I199-D203 PolarHBondContact O-N 2.94Å; I199-I204 PolarHBondContact O-N 3.14Å; I199-T232 HydrophobicContact CG1-CG2 3.97Å
200C92.2Very high91.1Very high11 Ų1135.4 Ų35.47%0.07419%0.191CC..Iπ-helixtrans-63.5-33.8-177.9-67.50000113S40 D196 L197 I204S40-C200 PolarHBondContact OG-O 3.08Å; D196-C200 WeakPolarHBondContact O-CB 3.33Å; D196-C200 PolarHBondContact O-N 3.07Å; D196-C200 PolarHBondContact O-SG 2.96Å; L197-C200 PolarHBondContact O-N 3.49Å; C200-I204 HydrophobicContact CB-CD1 4.3Å
201V90.7Very high90.8Very high72 Ų7237.6 Ų37.644%0.43620%0.202SC..Iπ-helixtrans-85.2-36.6-176.9172.30000112.7L44 L197 I198 I199 P205L44-V201 HydrophobicContact CD1-CG2 3.93Å; L197-V201 HydrophobicContact CD2-CG2 3.96Å; L197-V201 HydrophobicContact CG-CG2 4.33Å; L197-V201 WeakPolarHBondContact O-CB 3.3Å; L197-V201 WeakPolarHBondContact O-CG2 3.35Å; L197-V201 PolarHBondContact O-N 3.3Å; I198-V201 PolarHBondContact O-N 2.88Å; I199-V201 VanDerWaalsContact C-N 3.27Å; I199-V201 PolarHBondContact O-N 2.91Å; V201-P205 WeakPolarHBondContact O-CD 3.46Å; V201-P205 VanDerWaalsContact O-CG 3.24Å; V201-P205 WeakPolarHBondContact O-CG 3.48Å
202I91.7Very high90.6Very high77 Ų7740.7 Ų40.740%0.39522%0.222SC..Iπ-helixtrans-105.9-50.9-173.9-53.3-177.2000111.4I198 T206 L228I198-I202 HydrophobicContact CG2-CD1 3.95Å; I198-I202 HydrophobicContact CG2-CG1 4.45Å; I198-I202 WeakPolarHBondContact O-CB 3.31Å; I198-I202 PolarHBondContact O-N 2.97Å; I202-T206 VanDerWaalsContact O-CB 3.25Å; I202-T206 WeakPolarHBondContact O-CB 3.26Å; I202-T206 PolarHBondContact O-N 3.23Å; I202-T206 VanDerWaalsContact O-N 3.14Å; I202-T206 PolarHBondContact O-OG1 3.12Å; I202-L228 HydrophobicContact CB-CD2 4.4Å; I202-L228 HydrophobicContact CG2-CD2 3.54Å
203D91.2Very high90.1Very high19 Ų1945.9 Ų45.910%0.10224%0.24CC..Iπ-helixtrans-70.5-42.9-172.5-174.651.2000111.9I199 T206 T207 H225I199-D203 HydrophobicContact CG2-CB 4.07Å; I199-D203 WeakPolarHBondContact O-CA 3.36Å; I199-D203 VanDerWaalsContact O-CB 3.28Å; I199-D203 WeakPolarHBondContact O-CB 3.43Å; I199-D203 PolarHBondContact O-N 2.94Å; D203-T206 PolarHBondContact O-N 3.45Å; D203-T207 VanDerWaalsContact O-CB 3.25Å; D203-T207 WeakPolarHBondContact O-CB 3.45Å; D203-T207 PolarHBondContact O-N 3.4Å; D203-T207 PolarHBondContact O-OG1 3.05Å; D203-H225 IonicContact OD1-CD2 3.58Å; D203-H225 IonicContact OD1-CE1 3.89Å; D203-H225 IonicContact OD1-NE2 2.91Å; D203-H225 PolarHBondContact OD1-NE2 3.32Å
204I91Very high89Confident15 Ų1551 Ų518%0.07726%0.263CS..Hα-helixtrans-65.9-50.5-178.3-57.5175.6000111.7L36 I39 I199 C200 T206 T207 I208L36-I204 HydrophobicContact CB-CG2 4.07Å; I39-I204 HydrophobicContact CG2-CD1 4.48Å; I199-I204 PolarHBondContact O-N 3.14Å; C200-I204 HydrophobicContact CB-CD1 4.3Å; I204-T206 VanDerWaalsContact C-N 3.3Å; I204-T206 PolarHBondContact O-N 2.92Å; I204-T207 PolarHBondContact O-N 2.89Å; I204-I208 HydrophobicContact CG2-CD1 3.79Å; I204-I208 HydrophobicContact CG2-CG1 4.35Å; I204-I208 WeakPolarHBondContact O-CG1 3.32Å; I204-I208 PolarHBondContact O-N 2.84Å
205P90.9Very high87.8Confident64 Ų6453.8 Ų53.842%0.41628%0.282SS..Hα-helixtrans-62.8-36.7176.9-27.139.6000112.9V201 I208 F209V201-P205 WeakPolarHBondContact O-CD 3.46Å; V201-P205 VanDerWaalsContact O-CG 3.24Å; V201-P205 WeakPolarHBondContact O-CG 3.48Å; P205-I208 PolarHBondContact O-N 3.5Å; P205-F209 VanDerWaalsContact O-CB 3.26Å; P205-F209 WeakPolarHBondContact O-CB 3.48Å; P205-F209 PolarHBondContact O-N 2.76Å
206T89.8Confident86.6Confident37 Ų3762.9 Ų62.923%0.22732%0.316CS..Hα-helixtrans-66.3-40.3176-53.90000111.1I202 D203 I204 F209 L210 H225I202-T206 VanDerWaalsContact O-CB 3.25Å; I202-T206 WeakPolarHBondContact O-CB 3.26Å; I202-T206 PolarHBondContact O-N 3.23Å; I202-T206 VanDerWaalsContact O-N 3.14Å; I202-T206 PolarHBondContact O-OG1 3.12Å; D203-T206 PolarHBondContact O-N 3.45Å; I204-T206 VanDerWaalsContact C-N 3.3Å; I204-T206 PolarHBondContact O-N 2.92Å; T206-F209 PolarHBondContact O-N 3.41Å; T206-L210 HydrophobicContact CG2-CD1 4.28Å; T206-L210 HydrophobicContact CG2-CG 4.45Å; T206-L210 WeakPolarHBondContact O-CB 2.93Å; T206-L210 WeakPolarHBondContact O-CG 3.46Å; T206-L210 PolarHBondContact O-N 3.29Å; T206-H225 HydrophobicContact CG2-CB 4.04Å; T206-H225 WeakPolarHBondContact CG2-CD2 3.24Å
207T89.5Confident85.7Confident21 Ų2161.1 Ų61.113%0.12931%0.307CS..Hα-helixtrans-63.7-46.3176.2-61.10000111.1L36 D203 I204 F209 L210 I211 H225L36-T207 HydrophobicContact CD1-CG2 4.33Å; D203-T207 VanDerWaalsContact O-CB 3.25Å; D203-T207 WeakPolarHBondContact O-CB 3.45Å; D203-T207 PolarHBondContact O-N 3.4Å; D203-T207 PolarHBondContact O-OG1 3.05Å; I204-T207 PolarHBondContact O-N 2.89Å; T207-F209 VanDerWaalsContact C-N 3.31Å; T207-F209 PolarHBondContact O-N 3.47Å; T207-L210 PolarHBondContact O-N 3.45Å; T207-I211 HydrophobicContact CG2-CD1 3.7Å; T207-I211 HydrophobicContact CG2-CG1 4.39Å; T207-I211 WeakPolarHBondContact O-CB 3.45Å; T207-I211 WeakPolarHBondContact O-CG1 3.48Å; T207-I211 PolarHBondContact O-N 3.46Å; T207-H225 PolarHBondContact OG1-NE2 2.91Å; T207-H225 VanDerWaalsContact OG1-NE2 3.14Å
208I88.9Confident85.2Confident38 Ų3865.2 Ų65.220%0.19532%0.32CS..Hα-helixtrans-61-43.9175.6-65.7164.8000110.2L36 V37 I204 P205 L210 I211 V212L36-I208 HydrophobicContact CB-CD1 4.37Å; L36-I208 HydrophobicContact CB-CG1 4.41Å; L36-I208 HydrophobicContact CD1-CG1 4.38Å; V37-I208 HydrophobicContact CG2-CD1 3.6Å; I204-I208 HydrophobicContact CG2-CD1 3.79Å; I204-I208 HydrophobicContact CG2-CG1 4.35Å; I204-I208 WeakPolarHBondContact O-CG1 3.32Å; I204-I208 PolarHBondContact O-N 2.84Å; P205-I208 PolarHBondContact O-N 3.5Å; I208-L210 PolarHBondContact O-N 2.85Å; I208-I211 PolarHBondContact O-N 2.92Å; I208-V212 HydrophobicContact CG2-CG2 4.24Å; I208-V212 WeakPolarHBondContact O-CB 3.17Å; I208-V212 VanDerWaalsContact O-CG2 3.29Å; I208-V212 WeakPolarHBondContact O-CG2 3.12Å; I208-V212 PolarHBondContact O-N 3.16Å
209F88.8Confident84.8Confident98 Ų9862.3 Ų62.343%0.4331%0.306SS..Hα-helixtrans-60.6-45177.6-179.4-97.6000111.9P205 T206 T207 V212 W213 T217P205-F209 VanDerWaalsContact O-CB 3.26Å; P205-F209 WeakPolarHBondContact O-CB 3.48Å; P205-F209 PolarHBondContact O-N 2.76Å; T206-F209 PolarHBondContact O-N 3.41Å; T207-F209 VanDerWaalsContact C-N 3.31Å; T207-F209 PolarHBondContact O-N 3.47Å; F209-V212 PolarHBondContact O-N 3.38Å; F209-W213 HydrophobicContact CE1-CB 4.5Å; F209-W213 HydrophobicContact CE2-CB 4.49Å; F209-W213 HydrophobicContact CE2-CD2 4.5Å; F209-W213 HydrophobicContact CE2-CE3 4.49Å; F209-W213 HydrophobicContact CZ-CB 4.35Å; F209-W213 HydrophobicContact CZ-CG 4.34Å; F209-W213 WeakPolarHBondContact O-CB 3.4Å; F209-W213 PolarHBondContact O-N 2.79Å; F209-T217 HydrophobicContact CE1-CG2 4.27Å
210L86.9Confident84.4Confident22 Ų2265.9 Ų65.912%0.11532%0.32CS..Hα-helixtrans-66.3-38.4177.4-72.8177.4000112.6T206 T207 I208 E214 T217 H225T206-L210 HydrophobicContact CG2-CD1 4.28Å; T206-L210 HydrophobicContact CG2-CG 4.45Å; T206-L210 WeakPolarHBondContact O-CB 2.93Å; T206-L210 WeakPolarHBondContact O-CG 3.46Å; T206-L210 PolarHBondContact O-N 3.29Å; T207-L210 PolarHBondContact O-N 3.45Å; I208-L210 PolarHBondContact O-N 2.85Å; L210-E214 PolarHBondContact O-N 3Å; L210-T217 HydrophobicContact CD2-CG2 3.71Å; L210-H225 HydrophobicContact CD1-CB 3.7Å; L210-H225 WeakPolarHBondContact CD1-ND1 3.24Å
211I84.5Confident84.1Confident47 Ų4768.1 Ų68.124%0.24133%0.331CS..Hα-helixtrans-65.8-43.9176.8-71.9168.8000110.9L29 L36 T207 I208L29-I211 HydrophobicContact CD1-CG2 3.54Å; L29-I211 HydrophobicContact CD2-CG2 3.83Å; L29-I211 HydrophobicContact CG-CG2 3.47Å; L29-I211 VanDerWaalsContact CG-CG2 3.47Å; L36-I211 HydrophobicContact CD1-CD1 4.31Å; T207-I211 HydrophobicContact CG2-CD1 3.7Å; T207-I211 HydrophobicContact CG2-CG1 4.39Å; T207-I211 WeakPolarHBondContact O-CB 3.45Å; T207-I211 WeakPolarHBondContact O-CG1 3.48Å; T207-I211 PolarHBondContact O-N 3.46Å; I208-I211 PolarHBondContact O-N 2.92Å
212V86Confident83.9Confident88 Ų8865.3 Ų65.353%0.53331%0.314SS..Hα-helixtrans-75.8-34.6-177.8173.50000111.7I208 F209I208-V212 HydrophobicContact CG2-CG2 4.24Å; I208-V212 WeakPolarHBondContact O-CB 3.17Å; I208-V212 VanDerWaalsContact O-CG2 3.29Å; I208-V212 WeakPolarHBondContact O-CG2 3.12Å; I208-V212 PolarHBondContact O-N 3.16Å; F209-V212 PolarHBondContact O-N 3.38Å
213W83.6Confident83.7Confident137 Ų13763.8 Ų63.852%0.51930%0.303SS..THydrogen-bonded Turntrans-104.227.8-171.9-137.9-86.1000114.1F209 T215 R216 T217F209-W213 HydrophobicContact CE1-CB 4.5Å; F209-W213 HydrophobicContact CE2-CB 4.49Å; F209-W213 HydrophobicContact CE2-CD2 4.5Å; F209-W213 HydrophobicContact CE2-CE3 4.49Å; F209-W213 HydrophobicContact CZ-CB 4.35Å; F209-W213 HydrophobicContact CZ-CG 4.34Å; F209-W213 WeakPolarHBondContact O-CB 3.4Å; F209-W213 PolarHBondContact O-N 2.79Å; W213-T215 PolarHBondContact O-N 2.9Å; W213-R216 PolarHBondContact O-N 2.95Å; W213-R216 VanDerWaalsContact O-N 3.16Å; W213-T217 HydrophobicContact CB-CG2 4.39Å
214E70.7Confident83.6Confident113 Ų11367.2 Ų67.253%0.52832%0.322SS..THydrogen-bonded Turntrans-45.4-24.6-171.3-168.4172.6-170.500114.9L210L210-E214 PolarHBondContact O-N 3Å
215T65.2Low83.6Confident97 Ų9767.5 Ų67.560%0.59532%0.322SS*.THydrogen-bonded Turntrans-92.3-11.8-171.855.60000116.3W213 Y361W213-T215 PolarHBondContact O-N 2.9Å; T215-Y361 HydrophobicContact CG2-CE1 4.42Å
216R67.8Low83.5Confident193 Ų19364.8 Ų64.873%0.72831%0.305SS*.SBendtrans-152.258-175.2-65.9-169.2-178.3171.21.7114.7W213W213-R216 PolarHBondContact O-N 2.95Å; W213-R216 VanDerWaalsContact O-N 3.16Å
217T75.4Confident83.6Confident6 Ų665.2 Ų65.24%0.03731%0.305CS..  trans-105.2148174.458.90000110.7F209 L210 W213F209-T217 HydrophobicContact CE1-CG2 4.27Å; L210-T217 HydrophobicContact CD2-CG2 3.71Å; W213-T217 HydrophobicContact CB-CG2 4.39Å
218Y82.3Confident83.7Confident121 Ų12166.4 Ų66.448%0.47531%0.311SS..BIsolated β-bridgetrans-70.8136.5175.6-64.4-84.6000109.4F220 I221 C222 Y359Y218-F220 PolarHBondContact O-N 2.82Å; Y218-I221 HydrophobicContact CD2-CD1 3.77Å; Y218-I221 HydrophobicContact CG-CD1 4.45Å; Y218-I221 PolarHBondContact O-N 2.94Å; Y218-C222 PolarHBondContact O-N 3.43Å; Y218-Y359 HydrophobicContact CD1-CE1 4.28Å; Y218-Y359 HydrophobicContact CE1-CE1 4.12Å; Y218-Y359 AromaticContact CE1-CZ 3.74Å; Y218-Y359 WeakPolarHBondContact CE1-OH 3.12Å
219D81.7Confident83.8Confident4 Ų467.9 Ų67.92%0.02132%0.315CS..Hα-helixtrans-51.7-35.4176.9-74.71.3000111.8C222 R223 V288 N358 G360D219-C222 PolarHBondContact O-N 3.45Å; D219-R223 WeakPolarHBondContact O-CG 3.46Å; D219-R223 PolarHBondContact O-N 3.31Å; D219-V288 HydrophobicContact CB-CG2 4.1Å; D219-V288 WeakPolarHBondContact OD1-CG2 3.48Å; D219-V288 WeakPolarHBondContact OD2-CG2 3.16Å; D219-N358 WeakPolarHBondContact CB-O 3.47Å; D219-G360 PolarHBondContact OD1-N 3.12Å
220F84Confident84Confident103 Ų10364.3 Ų64.345%0.45230%0.303SS..Hα-helixtrans-61.5-43.3174.9-177.1-98000113.5Y218 R223 L224 F356Y218-F220 PolarHBondContact O-N 2.82Å; F220-R223 PolarHBondContact O-N 3.5Å; F220-L224 HydrophobicContact CE1-CD2 4.01Å; F220-L224 HydrophobicContact CZ-CD2 4.48Å; F220-L224 WeakPolarHBondContact O-CB 3.38Å; F220-L224 PolarHBondContact O-N 3.37Å; F220-F356 HydrophobicContact CB-CB 4.49Å; F220-F356 HydrophobicContact CB-CD1 4.39Å; F220-F356 AromaticContact CD2-CD1 3.86Å; F220-F356 HydrophobicContact CD2-CD1 3.86Å; F220-F356 HydrophobicContact CD2-CE1 4.06Å; F220-F356 HydrophobicContact CD2-CG 4.22Å
221I86.3Confident84.3Confident59 Ų5965.3 Ų65.330%0.30331%0.306SS..Hα-helixtrans-68.3-41.2-179-62.9176.1000109.9Y218 L224 H225Y218-I221 HydrophobicContact CD2-CD1 3.77Å; Y218-I221 HydrophobicContact CG-CD1 4.45Å; Y218-I221 PolarHBondContact O-N 2.94Å; I221-L224 PolarHBondContact O-N 2.68Å; I221-H225 VanDerWaalsContact O-CB 3.25Å; I221-H225 WeakPolarHBondContact O-CB 3.17Å; I221-H225 PolarHBondContact O-N 3.26Å
222C85.3Confident84.7Confident12 Ų1263.2 Ų63.28%0.08130%0.296CS..Hα-helixtrans-58.7-52.2173.8168.70000111.3Y218 D219 L224 H225 V226 C362Y218-C222 PolarHBondContact O-N 3.43Å; D219-C222 PolarHBondContact O-N 3.45Å; C222-L224 VanDerWaalsContact C-N 3.35Å; C222-L224 PolarHBondContact O-N 2.9Å; C222-H225 PolarHBondContact O-N 2.97Å; C222-V226 WeakPolarHBondContact O-CG2 3.32Å; C222-V226 PolarHBondContact O-N 3.14Å; C222-C362 HydrophobicContact CB-CB 3.63Å; C222-C362 WeakPolarHBondContact CB-SG 3.48Å; C222-C362 WeakPolarHBondContact SG-CB 3.21Å; C222-C362 CovalentContact SG-SG 2.02Å; C222-C362 PolarHBondContact SG-SG 2.79Å
223R88Confident84.9Confident45 Ų4563.2 Ų63.217%0.1729%0.292CS..Hα-helixtrans-60.6-43.6178.1-71.9-178.9-170.5179.58.5111.9D219 F220 V226 I227D219-R223 WeakPolarHBondContact O-CG 3.46Å; D219-R223 PolarHBondContact O-N 3.31Å; F220-R223 PolarHBondContact O-N 3.5Å; R223-V226 PolarHBondContact O-N 3.33Å; R223-I227 WeakPolarHBondContact O-CB 3.28Å; R223-I227 WeakPolarHBondContact O-CD1 3.41Å; R223-I227 WeakPolarHBondContact O-CG1 3.45Å; R223-I227 PolarHBondContact O-N 3.25Å
224L89.5Confident85.4Confident92 Ų9258 Ų5848%0.48228%0.276SS..Hα-helixtrans-64.6-40.9178.5-175.765.7000111.5F220 I221 C222 I227 L228F220-L224 HydrophobicContact CE1-CD2 4.01Å; F220-L224 HydrophobicContact CZ-CD2 4.48Å; F220-L224 WeakPolarHBondContact O-CB 3.38Å; F220-L224 PolarHBondContact O-N 3.37Å; I221-L224 PolarHBondContact O-N 2.68Å; C222-L224 VanDerWaalsContact C-N 3.35Å; C222-L224 PolarHBondContact O-N 2.9Å; L224-I227 PolarHBondContact O-N 2.86Å; L224-L228 WeakPolarHBondContact O-CB 3.29Å; L224-L228 PolarHBondContact O-N 2.91Å
225H89.8Confident86.5Confident20 Ų2052.7 Ų52.79%0.09325%0.251CS..Hα-helixtrans-62.6-47.2176.6175.9-104000111.6D203 T206 T207 L210 I221 C222 I227 L228 K229D203-H225 IonicContact OD1-CD2 3.58Å; D203-H225 IonicContact OD1-CE1 3.89Å; D203-H225 IonicContact OD1-NE2 2.91Å; D203-H225 PolarHBondContact OD1-NE2 3.32Å; T206-H225 HydrophobicContact CG2-CB 4.04Å; T206-H225 WeakPolarHBondContact CG2-CD2 3.24Å; T207-H225 PolarHBondContact OG1-NE2 2.91Å; T207-H225 VanDerWaalsContact OG1-NE2 3.14Å; L210-H225 HydrophobicContact CD1-CB 3.7Å; L210-H225 WeakPolarHBondContact CD1-ND1 3.24Å; I221-H225 VanDerWaalsContact O-CB 3.25Å; I221-H225 WeakPolarHBondContact O-CB 3.17Å; I221-H225 PolarHBondContact O-N 3.26Å; C222-H225 PolarHBondContact O-N 2.97Å; H225-I227 PolarHBondContact O-N 3.41Å; H225-L228 PolarHBondContact O-N 3.24Å; H225-K229 VanDerWaalsContact O-CB 3.29Å; H225-K229 WeakPolarHBondContact O-CB 3.35Å; H225-K229 PolarHBondContact O-N 2.74Å
226V89.3Confident87.9Confident8 Ų848.9 Ų48.95%0.04823%0.228CC..Hα-helixtrans-57.4-51.2174.5166.90000111C222 R223 L228 K229 S230C222-V226 WeakPolarHBondContact O-CG2 3.32Å; C222-V226 PolarHBondContact O-N 3.14Å; R223-V226 PolarHBondContact O-N 3.33Å; V226-L228 VanDerWaalsContact C-N 3.32Å; V226-L228 PolarHBondContact O-N 2.91Å; V226-K229 PolarHBondContact O-N 3.24Å; V226-S230 WeakPolarHBondContact O-CB 3.15Å; V226-S230 PolarHBondContact O-N 3.3Å; V226-S230 PolarHBondContact O-OG 2.98Å
227I92.1Very high89.1Confident45 Ų4541.7 Ų41.723%0.23121%0.21CC..Hα-helixtrans-59.2-46.8179.7-70166000110R223 L224 H225 K229 S230 F231 A279R223-I227 WeakPolarHBondContact O-CB 3.28Å; R223-I227 WeakPolarHBondContact O-CD1 3.41Å; R223-I227 WeakPolarHBondContact O-CG1 3.45Å; R223-I227 PolarHBondContact O-N 3.25Å; L224-I227 PolarHBondContact O-N 2.86Å; H225-I227 PolarHBondContact O-N 3.41Å; I227-K229 PolarHBondContact O-N 3.42Å; I227-S230 PolarHBondContact O-N 3Å; I227-F231 WeakPolarHBondContact O-CB 3.25Å; I227-F231 PolarHBondContact O-N 3.34Å; I227-A279 HydrophobicContact CG2-CB 4.15Å
228L91.8Very high90Very high47 Ų4741.7 Ų41.725%0.24621%0.21CC..Hα-helixtrans-61.9-45-179.4-175.568.2000110.9I202 L224 H225 V226 F231 T232I202-L228 HydrophobicContact CB-CD2 4.4Å; I202-L228 HydrophobicContact CG2-CD2 3.54Å; L224-L228 WeakPolarHBondContact O-CB 3.29Å; L224-L228 PolarHBondContact O-N 2.91Å; H225-L228 PolarHBondContact O-N 3.24Å; V226-L228 VanDerWaalsContact C-N 3.32Å; V226-L228 PolarHBondContact O-N 2.91Å; L228-F231 PolarHBondContact O-N 3.42Å; L228-T232 HydrophobicContact CD1-CG2 4.23Å; L228-T232 HydrophobicContact CG-CG2 4.41Å; L228-T232 WeakPolarHBondContact O-CB 3.33Å; L228-T232 VanDerWaalsContact O-CG2 3.3Å; L228-T232 WeakPolarHBondContact O-CG2 3.37Å; L228-T232 PolarHBondContact O-N 2.95Å; L228-T232 PolarHBondContact O-OG1 2.76Å
229K91.2Very high90.5Very high68 Ų6836 Ų3630%0.29619%0.187SC..Hα-helixtrans-63.9-47.3178.3-175.8169.8-177.71650111.9H225 V226 I227 F231 T232 L233H225-K229 VanDerWaalsContact O-CB 3.29Å; H225-K229 WeakPolarHBondContact O-CB 3.35Å; H225-K229 PolarHBondContact O-N 2.74Å; V226-K229 PolarHBondContact O-N 3.24Å; I227-K229 PolarHBondContact O-N 3.42Å; K229-F231 VanDerWaalsContact C-N 3.33Å; K229-F231 PolarHBondContact O-N 2.85Å; K229-T232 PolarHBondContact O-OG1 2.8Å; K229-L233 HydrophobicContact CG-CD1 4.04Å; K229-L233 WeakPolarHBondContact O-CB 3.33Å; K229-L233 VanDerWaalsContact O-CG 3.23Å; K229-L233 WeakPolarHBondContact O-CG 3.2Å; K229-L233 PolarHBondContact O-N 3.24Å; K229-L233 VanDerWaalsContact O-N 3.1Å
230S91.8Very high91.1Very high24 Ų2440.4 Ų40.417%0.16821%0.211CC..Hα-helixtrans-62.9-40.2175.7-66.60000111.9V226 I227 T234V226-S230 WeakPolarHBondContact O-CB 3.15Å; V226-S230 PolarHBondContact O-N 3.3Å; V226-S230 PolarHBondContact O-OG 2.98Å; I227-S230 PolarHBondContact O-N 3Å; S230-T234 VanDerWaalsContact O-CB 3.3Å; S230-T234 WeakPolarHBondContact O-CB 3.1Å; S230-T234 PolarHBondContact O-N 2.9Å; S230-T234 PolarHBondContact O-OG1 3.47Å
231F94.4Very high91.6Very high42 Ų4237.6 Ų37.618%0.18420%0.202CC..Hα-helixtrans-62.8-53.7177.3169.6-105.8000111.8I227 L228 K229 L233 T234 V235 Y272 L276 A279I227-F231 WeakPolarHBondContact O-CB 3.25Å; I227-F231 PolarHBondContact O-N 3.34Å; L228-F231 PolarHBondContact O-N 3.42Å; K229-F231 VanDerWaalsContact C-N 3.33Å; K229-F231 PolarHBondContact O-N 2.85Å; F231-L233 PolarHBondContact O-N 3.42Å; F231-T234 PolarHBondContact O-N 3.49Å; F231-V235 HydrophobicContact CD2-CG2 3.96Å; F231-V235 HydrophobicContact CE1-CG2 4.44Å; F231-V235 HydrophobicContact CE2-CG2 3.69Å; F231-V235 HydrophobicContact CG-CG2 4.46Å; F231-V235 HydrophobicContact CZ-CG2 3.97Å; F231-V235 WeakPolarHBondContact O-CB 3.46Å; F231-V235 VanDerWaalsContact O-CG2 3.26Å; F231-V235 WeakPolarHBondContact O-CG2 3.32Å; F231-V235 PolarHBondContact O-N 3.25Å; F231-Y272 HydrophobicContact CE2-CD1 4.27Å; F231-Y272 AromaticContact CZ-CD1 3.69Å; F231-Y272 HydrophobicContact CZ-CD1 3.69Å; F231-Y272 HydrophobicContact CZ-CE1 4.25Å; F231-L276 HydrophobicContact CD2-CB 4.18Å; F231-L276 HydrophobicContact CD2-CD1 4.34Å; F231-L276 HydrophobicContact CE2-CB 4.06Å; F231-A279 HydrophobicContact CB-CB 3.71Å
232T92.4Very high91.8Very high3 Ų335.9 Ų35.92%0.01819%0.193CC..Hα-helixtrans-65.2-39.4-175.954.20000112.2N195 I199 L228 K229 S236N195-T232 PolarHBondContact ND2-O 3.26Å; I199-T232 HydrophobicContact CG1-CG2 3.97Å; L228-T232 HydrophobicContact CD1-CG2 4.23Å; L228-T232 HydrophobicContact CG-CG2 4.41Å; L228-T232 WeakPolarHBondContact O-CB 3.33Å; L228-T232 VanDerWaalsContact O-CG2 3.3Å; L228-T232 WeakPolarHBondContact O-CG2 3.37Å; L228-T232 PolarHBondContact O-N 2.95Å; L228-T232 PolarHBondContact O-OG1 2.76Å; K229-T232 PolarHBondContact O-OG1 2.8Å; T232-S236 WeakPolarHBondContact O-CB 3.47Å; T232-S236 PolarHBondContact O-N 2.93Å
233L91.5Very high92.1Very high88 Ų8836.7 Ų36.746%0.46120%0.196SC..Hα-helixtrans-62.7-46.6173.9-73.3173.1000111.7K229 F231 S236 A237K229-L233 HydrophobicContact CG-CD1 4.04Å; K229-L233 WeakPolarHBondContact O-CB 3.33Å; K229-L233 VanDerWaalsContact O-CG 3.23Å; K229-L233 WeakPolarHBondContact O-CG 3.2Å; K229-L233 PolarHBondContact O-N 3.24Å; K229-L233 VanDerWaalsContact O-N 3.1Å; F231-L233 PolarHBondContact O-N 3.42Å; L233-S236 PolarHBondContact O-N 3.48Å; L233-A237 WeakPolarHBondContact O-CB 3.28Å; L233-A237 PolarHBondContact O-N 2.87Å
234T93.1Very high92.3Very high29 Ų2937.4 Ų37.418%0.17821%0.212CC..Hα-helixtrans-63.9-44.5179.4-56.20000111S230 F231 A237 L238 W278S230-T234 VanDerWaalsContact O-CB 3.3Å; S230-T234 WeakPolarHBondContact O-CB 3.1Å; S230-T234 PolarHBondContact O-N 2.9Å; S230-T234 PolarHBondContact O-OG1 3.47Å; F231-T234 PolarHBondContact O-N 3.49Å; T234-A237 PolarHBondContact O-N 3.28Å; T234-L238 HydrophobicContact CG2-CD1 3.97Å; T234-L238 HydrophobicContact CG2-CG 4.42Å; T234-L238 WeakPolarHBondContact O-CB 3.49Å; T234-L238 VanDerWaalsContact O-CG 3.25Å; T234-L238 WeakPolarHBondContact O-CG 3.42Å; T234-L238 PolarHBondContact O-N 2.9Å; T234-W278 HydrophobicContact CG2-CB 4.31Å
235V94.2Very high92.4Very high0 Ų034.5 Ų34.50%020%0.197CC..Hα-helixtrans-63.5-43.4177.8168.90000111.3F231 L238 F239 T271 Y272F231-V235 HydrophobicContact CD2-CG2 3.96Å; F231-V235 HydrophobicContact CE1-CG2 4.44Å; F231-V235 HydrophobicContact CE2-CG2 3.69Å; F231-V235 HydrophobicContact CG-CG2 4.46Å; F231-V235 HydrophobicContact CZ-CG2 3.97Å; F231-V235 WeakPolarHBondContact O-CB 3.46Å; F231-V235 VanDerWaalsContact O-CG2 3.26Å; F231-V235 WeakPolarHBondContact O-CG2 3.32Å; F231-V235 PolarHBondContact O-N 3.25Å; V235-L238 PolarHBondContact O-N 3.34Å; V235-F239 HydrophobicContact CG1-CD2 3.57Å; V235-F239 HydrophobicContact CG1-CE2 3.3Å; V235-F239 HydrophobicContact CG1-CZ 4.39Å; V235-F239 WeakPolarHBondContact O-CD2 3.44Å; V235-F239 PolarHBondContact O-N 3.36Å; V235-T271 HydrophobicContact CG1-CG2 4.49Å; V235-Y272 HydrophobicContact CG1-CD1 4.03Å; V235-Y272 HydrophobicContact CG1-CE1 3.7Å; V235-Y272 HydrophobicContact CG2-CD1 4.04Å; V235-Y272 HydrophobicContact CG2-CE1 4.44Å
236S94.4Very high92.3Very high18 Ų1834.5 Ų34.513%0.12620%0.197CC..Hα-helixtrans-61.2-47.3176.5-171.70000111.4N195 T232 L233 L238 F239 L240N195-S236 WeakPolarHBondContact ND2-CB 3.23Å; T232-S236 WeakPolarHBondContact O-CB 3.47Å; T232-S236 PolarHBondContact O-N 2.93Å; L233-S236 PolarHBondContact O-N 3.48Å; S236-L238 PolarHBondContact O-N 3.31Å; S236-F239 PolarHBondContact O-N 3.03Å; S236-L240 WeakPolarHBondContact O-CG 3.48Å; S236-L240 PolarHBondContact O-N 3.48Å
237A93.7Very high92.2Very high42 Ų4239.3 Ų39.335%0.34722%0.215SC..Hα-helixtrans-61-42.6176.800000112.5L233 T234 L240 V241L233-A237 WeakPolarHBondContact O-CB 3.28Å; L233-A237 PolarHBondContact O-N 2.87Å; T234-A237 PolarHBondContact O-N 3.28Å; A237-L240 PolarHBondContact O-N 3.34Å; A237-V241 WeakPolarHBondContact O-CG2 3.45Å; A237-V241 PolarHBondContact O-N 3.47Å
238L93.5Very high92.1Very high6 Ų642.9 Ų42.93%0.03123%0.225CC..Hα-helixtrans-64.9-39.8176.3-72.9170.9000112T234 V235 S236 V241 I242 T271 L274 F378 F381T234-L238 HydrophobicContact CG2-CD1 3.97Å; T234-L238 HydrophobicContact CG2-CG 4.42Å; T234-L238 WeakPolarHBondContact O-CB 3.49Å; T234-L238 VanDerWaalsContact O-CG 3.25Å; T234-L238 WeakPolarHBondContact O-CG 3.42Å; T234-L238 PolarHBondContact O-N 2.9Å; V235-L238 PolarHBondContact O-N 3.34Å; S236-L238 PolarHBondContact O-N 3.31Å; L238-V241 PolarHBondContact O-N 2.98Å; L238-I242 VanDerWaalsContact O-CG1 3.29Å; L238-I242 WeakPolarHBondContact O-CG1 3.4Å; L238-I242 PolarHBondContact O-N 2.83Å; L238-T271 HydrophobicContact CB-CG2 3.48Å; L238-T271 VanDerWaalsContact CB-CG2 3.48Å; L238-T271 HydrophobicContact CD1-CG2 3.9Å; L238-T271 HydrophobicContact CG-CG2 4.34Å; L238-L274 HydrophobicContact CD1-CB 4.31Å; L238-L274 HydrophobicContact CD1-CD2 3.94Å; L238-L274 HydrophobicContact CD1-CG 4.31Å; L238-L274 HydrophobicContact CD2-CD2 4.14Å; L238-F378 HydrophobicContact CD2-CE2 3.85Å; L238-F378 HydrophobicContact CD2-CZ 4.42Å; L238-F381 HydrophobicContact CD2-CD1 4.46Å; L238-F381 HydrophobicContact CD2-CE1 4.48Å
239F93.5Very high91.9Very high0 Ų042.8 Ų42.80%023%0.225CC..Hα-helixtrans-62.9-42.1174.2-82.2-56.1000112.1L188 L191 L192 V235 S236 V241 I242 I243 I268 T271 Y272L188-F239 HydrophobicContact CD2-CD1 4.39Å; L191-F239 HydrophobicContact CB-CE1 4.37Å; L191-F239 HydrophobicContact CB-CZ 4.32Å; L191-F239 HydrophobicContact CD1-CE1 4.25Å; L191-F239 HydrophobicContact CD1-CZ 4.46Å; L192-F239 HydrophobicContact CD1-CB 3.97Å; V235-F239 HydrophobicContact CG1-CD2 3.57Å; V235-F239 HydrophobicContact CG1-CE2 3.3Å; V235-F239 HydrophobicContact CG1-CZ 4.39Å; V235-F239 WeakPolarHBondContact O-CD2 3.44Å; V235-F239 PolarHBondContact O-N 3.36Å; S236-F239 PolarHBondContact O-N 3.03Å; F239-V241 VanDerWaalsContact C-N 3.33Å; F239-V241 PolarHBondContact O-N 3.47Å; F239-I242 PolarHBondContact O-N 2.95Å; F239-I243 VanDerWaalsContact O-CG1 3.27Å; F239-I243 WeakPolarHBondContact O-CG1 3.26Å; F239-I243 PolarHBondContact O-N 2.97Å; F239-I268 HydrophobicContact CE1-CG1 4.42Å; F239-I268 HydrophobicContact CZ-CG2 4.43Å; F239-T271 HydrophobicContact CE2-CG2 4.5Å; F239-T271 HydrophobicContact CZ-CG2 4.45Å; F239-Y272 HydrophobicContact CE2-CE1 4.48Å; F239-Y272 HydrophobicContact CE2-CE2 4.37Å; F239-Y272 AromaticContact CE2-CZ 4Å; F239-Y272 AromaticContact CZ-CE2 3.91Å; F239-Y272 HydrophobicContact CZ-CE2 3.91Å; F239-Y272 AromaticContact CZ-CZ 3.99Å
240L93.4Very high91.5Very high97 Ų9743.8 Ų43.851%0.50823%0.233SC..Hα-helixtrans-60.5-42.2174.8-71.1175.8000111.8L192 S236 A237 I243 A244L192-L240 HydrophobicContact CD1-CD2 4.42Å; L192-L240 HydrophobicContact CD1-CG 4.4Å; L192-L240 HydrophobicContact CD2-CD2 3.7Å; S236-L240 WeakPolarHBondContact O-CG 3.48Å; S236-L240 PolarHBondContact O-N 3.48Å; A237-L240 PolarHBondContact O-N 3.34Å; L240-I243 PolarHBondContact O-N 3.48Å; L240-A244 WeakPolarHBondContact O-CB 3Å; L240-A244 PolarHBondContact O-N 3.43Å
241V93.7Very high91.4Very high45 Ų4548.4 Ų48.427%0.27326%0.26SS..Hα-helixtrans-64.7-42.1175170.50000111.7A237 L238 F239 I243 A244 L245 F378A237-V241 WeakPolarHBondContact O-CG2 3.45Å; A237-V241 PolarHBondContact O-N 3.47Å; L238-V241 PolarHBondContact O-N 2.98Å; F239-V241 VanDerWaalsContact C-N 3.33Å; F239-V241 PolarHBondContact O-N 3.47Å; V241-I243 VanDerWaalsContact C-N 3.35Å; V241-I243 PolarHBondContact O-N 2.95Å; V241-A244 PolarHBondContact O-N 2.72Å; V241-L245 HydrophobicContact CG1-CD1 3.91Å; V241-L245 HydrophobicContact CG1-CG 4.26Å; V241-L245 WeakPolarHBondContact O-CB 3.06Å; V241-L245 VanDerWaalsContact O-CG 3.3Å; V241-L245 WeakPolarHBondContact O-CG 3.32Å; V241-L245 PolarHBondContact O-N 3.44Å; V241-F378 HydrophobicContact CB-CZ 4.48Å; V241-F378 HydrophobicContact CG2-CE1 3.89Å; V241-F378 HydrophobicContact CG2-CZ 3.62Å
242I91.5Very high91.1Very high22 Ų2249.7 Ų49.711%0.11327%0.273CS..Hα-helixtrans-63.7-41.4177.1-70.5167.1000111L188 L238 F239 L245 D246 T271L188-I242 HydrophobicContact CD1-CG2 3.89Å; L188-I242 HydrophobicContact CD2-CG2 4.08Å; L238-I242 VanDerWaalsContact O-CG1 3.29Å; L238-I242 WeakPolarHBondContact O-CG1 3.4Å; L238-I242 PolarHBondContact O-N 2.83Å; F239-I242 PolarHBondContact O-N 2.95Å; I242-L245 PolarHBondContact O-N 3.13Å; I242-D246 WeakPolarHBondContact O-CB 3.38Å; I242-D246 PolarHBondContact O-N 2.81Å; I242-T271 HydrophobicContact CD1-CG2 4.46Å; I242-T271 WeakPolarHBondContact CD1-OG1 3.35Å
243I92.6Very high90.7Very high30 Ų3054.4 Ų54.415%0.15429%0.294CS..Hα-helixtrans-63.4-44.4175.3-68.4164000110.4L188 L192 F239 L240 V241 L245 D246 R247L188-I243 HydrophobicContact CB-CD1 4.23Å; L188-I243 HydrophobicContact CB-CG1 3.76Å; L188-I243 HydrophobicContact CD1-CG1 4.11Å; L192-I243 HydrophobicContact CD2-CD1 4.13Å; F239-I243 VanDerWaalsContact O-CG1 3.27Å; F239-I243 WeakPolarHBondContact O-CG1 3.26Å; F239-I243 PolarHBondContact O-N 2.97Å; L240-I243 PolarHBondContact O-N 3.48Å; V241-I243 VanDerWaalsContact C-N 3.35Å; V241-I243 PolarHBondContact O-N 2.95Å; I243-L245 VanDerWaalsContact C-N 3.34Å; I243-L245 PolarHBondContact O-N 2.02Å; I243-D246 PolarHBondContact O-N 3.49Å; I243-R247 WeakPolarHBondContact O-CG 3.22Å; I243-R247 PolarHBondContact O-N 2.85Å
244A92Very high89.8Confident60 Ų6056.8 Ų56.850%0.49631%0.306SS..Hα-helixtrans-62.2-42.4177.100000111.7L240 V241 R247 W248L240-A244 WeakPolarHBondContact O-CB 3Å; L240-A244 PolarHBondContact O-N 3.43Å; V241-A244 PolarHBondContact O-N 2.72Å; A244-R247 PolarHBondContact O-N 3.42Å; A244-W248 WeakPolarHBondContact O-CB 3.39Å; A244-W248 PolarHBondContact O-N 2.96Å
245L90.4Very high88.8Confident31 Ų3160.7 Ų60.716%0.16233%0.332CS..Hα-helixtrans-65.1-41.6174.9-73.5174.1000112V241 I242 I243 R247 W248 L249 F386V241-L245 HydrophobicContact CG1-CD1 3.91Å; V241-L245 HydrophobicContact CG1-CG 4.26Å; V241-L245 WeakPolarHBondContact O-CB 3.06Å; V241-L245 VanDerWaalsContact O-CG 3.3Å; V241-L245 WeakPolarHBondContact O-CG 3.32Å; V241-L245 PolarHBondContact O-N 3.44Å; I242-L245 PolarHBondContact O-N 3.13Å; I243-L245 VanDerWaalsContact C-N 3.34Å; I243-L245 PolarHBondContact O-N 2.02Å; L245-R247 PolarHBondContact O-N 3.25Å; L245-W248 PolarHBondContact O-N 3.21Å; L245-L249 VanDerWaalsContact O-CB 3.28Å; L245-L249 WeakPolarHBondContact O-CB 3.25Å; L245-L249 WeakPolarHBondContact O-CG 3.18Å; L245-L249 PolarHBondContact O-N 2.83Å; L245-F386 HydrophobicContact CD2-CE2 3.73Å; L245-F386 HydrophobicContact CD2-CZ 3.66Å
246D87.8Confident87.5Confident20 Ų2066.2 Ų66.211%0.10737%0.369CS..Hα-helixtrans-59.3-46.9175.7-174.567.5000110.9S185 L188 I242 I243 L250S185-D246 PolarHBondContact OG-OD2 3.21Å; L188-D246 HydrophobicContact CD1-CB 4.4Å; I242-D246 WeakPolarHBondContact O-CB 3.38Å; I242-D246 PolarHBondContact O-N 2.81Å; I243-D246 PolarHBondContact O-N 3.49Å; D246-L250 WeakPolarHBondContact O-CB 3.48Å; D246-L250 PolarHBondContact O-N 3.31Å; D246-L250 VanDerWaalsContact O-N 3.07Å
247R88.4Confident86.3Confident108 Ų10870.3 Ų70.341%0.40839%0.393SS..Hα-helixtrans-66.3-41.2176-64.4-58.6-176.6-174.1-1.1112.5I243 A244 L245 L250 V251I243-R247 WeakPolarHBondContact O-CG 3.22Å; I243-R247 PolarHBondContact O-N 2.85Å; A244-R247 PolarHBondContact O-N 3.42Å; L245-R247 PolarHBondContact O-N 3.25Å; R247-L250 PolarHBondContact O-N 2.65Å; R247-V251 WeakPolarHBondContact O-CG2 3.5Å; R247-V251 PolarHBondContact O-N 3.14Å; R247-V251 VanDerWaalsContact O-N 3.13Å
248W90Very high85.3Confident120 Ų12072.8 Ų72.846%0.45540%0.399SS..Hα-helixtrans-66.2-43178.1179.883.4000111.8A244 L245 L250 V251 C252 F253 F386A244-W248 WeakPolarHBondContact O-CB 3.39Å; A244-W248 PolarHBondContact O-N 2.96Å; L245-W248 PolarHBondContact O-N 3.21Å; W248-L250 VanDerWaalsContact C-N 3.33Å; W248-L250 PolarHBondContact O-N 3.43Å; W248-V251 PolarHBondContact O-N 3.33Å; W248-C252 VanDerWaalsContact CE2-SG 3.56Å; W248-C252 HydrophobicContact CZ2-CB 4.39Å; W248-C252 PolarHBondContact NE1-SG 3.4Å; W248-C252 VanDerWaalsContact NE1-SG 3.37Å; W248-C252 WeakPolarHBondContact O-CB 3.46Å; W248-C252 PolarHBondContact O-N 2.84Å; W248-F253 HydrophobicContact CH2-CE2 4.22Å; W248-F253 AromaticContact CZ3-CE2 3.96Å; W248-F253 HydrophobicContact CZ3-CE2 3.96Å; W248-F386 HydrophobicContact CE3-CE1 4.44Å; W248-F386 HydrophobicContact CE3-CZ 4.17Å; W248-F386 AromaticContact CH2-CE1 3.96Å; W248-F386 HydrophobicContact CH2-CE1 3.96Å; W248-F386 HydrophobicContact CH2-CZ 4.12Å; W248-F386 AromaticContact CZ3-CE1 3.54Å; W248-F386 HydrophobicContact CZ3-CE1 3.54Å; W248-F386 AromaticContact CZ3-CZ 3.65Å; W248-F386 HydrophobicContact CZ3-CZ 3.65Å
249L85.8Confident84.5Confident46 Ų4674.3 Ų74.324%0.24141%0.407CS..Hα-helixtrans-61.6-41.4175.8-74.8172.9000111.4L245 V251 F253L245-L249 VanDerWaalsContact O-CB 3.28Å; L245-L249 WeakPolarHBondContact O-CB 3.25Å; L245-L249 WeakPolarHBondContact O-CG 3.18Å; L245-L249 PolarHBondContact O-N 2.83Å; L249-V251 VanDerWaalsContact C-N 3.32Å; L249-V251 PolarHBondContact O-N 2.86Å; L249-F253 HydrophobicContact CD2-CD2 3.54Å; L249-F253 HydrophobicContact CD2-CE2 3.51Å; L249-F253 WeakPolarHBondContact O-CA 3.32Å; L249-F253 WeakPolarHBondContact O-CB 3.25Å; L249-F253 PolarHBondContact O-N 2.79Å
250L83.4Confident84.1Confident89 Ų8978.3 Ų78.347%0.46643%0.431SS..Hα-helixtrans-62.2-39.2176.6-166.4162.7000112D246 R247 W248D246-L250 WeakPolarHBondContact O-CB 3.48Å; D246-L250 PolarHBondContact O-N 3.31Å; D246-L250 VanDerWaalsContact O-N 3.07Å; R247-L250 PolarHBondContact O-N 2.65Å; W248-L250 VanDerWaalsContact C-N 3.33Å; W248-L250 PolarHBondContact O-N 3.43Å
251V89Confident83.7Confident120 Ų12081 Ų8173%0.72744%0.439SS*.Hα-helixtrans-77.1-44.7-179.6173.80000112.2R247 W248 L249R247-V251 WeakPolarHBondContact O-CG2 3.5Å; R247-V251 PolarHBondContact O-N 3.14Å; R247-V251 VanDerWaalsContact O-N 3.13Å; W248-V251 PolarHBondContact O-N 3.33Å; L249-V251 VanDerWaalsContact C-N 3.32Å; L249-V251 PolarHBondContact O-N 2.86Å
252C89.2Confident83.4Confident70 Ų7086.9 Ų86.947%0.47346%0.46SS..Hα-helixtrans-81.7-39-174-71.20000113.1W248W248-C252 VanDerWaalsContact CE2-SG 3.56Å; W248-C252 HydrophobicContact CZ2-CB 4.39Å; W248-C252 PolarHBondContact NE1-SG 3.4Å; W248-C252 VanDerWaalsContact NE1-SG 3.37Å; W248-C252 WeakPolarHBondContact O-CB 3.46Å; W248-C252 PolarHBondContact O-N 2.84Å
253F83.3Confident83.3Confident102 Ų10287 Ų8745%0.44746%0.463SS..SBendtrans-98.1104.4175.7-62.5-88.8000108W248 L249 V257W248-F253 HydrophobicContact CH2-CE2 4.22Å; W248-F253 AromaticContact CZ3-CE2 3.96Å; W248-F253 HydrophobicContact CZ3-CE2 3.96Å; L249-F253 HydrophobicContact CD2-CD2 3.54Å; L249-F253 HydrophobicContact CD2-CE2 3.51Å; L249-F253 WeakPolarHBondContact O-CA 3.32Å; L249-F253 WeakPolarHBondContact O-CB 3.25Å; L249-F253 PolarHBondContact O-N 2.79Å; F253-V257 HydrophobicContact CB-CG2 4.37Å
254I73.2Confident83Confident138 Ų13885.9 Ų85.971%0.70846%0.457SS*.  trans-36.8137.3160.3-65.1171.1000107.8C256I254-C256 PolarHBondContact O-N 3.38Å
255P71.9Confident82.9Confident111 Ų11189.8 Ų89.872%0.72146%0.463SS*.THydrogen-bonded Turntrans-51.919.6-155.417.3-35.9000120.6
256C66.4Low82.9Confident116 Ų11696.5 Ų96.578%0.78449%0.486SS*.THydrogen-bonded Turntrans-73-25.6-179.8-67.10000114I254 I258I254-C256 PolarHBondContact O-N 3.38Å; C256-I258 PolarHBondContact O-N 2.66Å
257V70Confident83.1Confident103 Ų10396.7 Ų96.762%0.62449%0.487SS*.  trans-94.876.2178.9-170.10000109.9F253 M259F253-V257 HydrophobicContact CB-CG2 4.37Å; V257-M259 PolarHBondContact O-N 3.32Å
258I72.7Confident83.3Confident94 Ų9492.9 Ų92.948%0.48248%0.475SS..  trans-73.9109.9173.8-58174.4000108.4C256 T260C256-I258 PolarHBondContact O-N 2.66Å; I258-T260 PolarHBondContact O-N 2.91Å; I258-T260 VanDerWaalsContact O-N 3.1Å
259M75.4Confident83.5Confident39 Ų3991.1 Ų91.119%0.19247%0.473CS..  trans-64.2113.6177.7-160.8131.990.200110.3V257 C263 M264 L267V257-M259 PolarHBondContact O-N 3.32Å; M259-C263 HydrophobicContact CG-CB 3.87Å; M259-M264 HydrophobicContact CE-CG 4.43Å; M259-M264 HydrophobicContact CE-SD 3.24Å; M259-M264 WeakPolarHBondContact CE-SD 3.24Å; M259-M264 HydrophobicContact CG-CG 4.23Å; M259-M264 HydrophobicContact CG-SD 4.19Å; M259-L267 HydrophobicContact CE-CD1 3.57Å; M259-L267 HydrophobicContact SD-CD1 4.15Å
260T85.4Confident83.8Confident83 Ų8390.4 Ų90.451%0.50948%0.477SS..  trans-65.7147.5-178.4640000111.1I258 K262 C263 M264I258-T260 PolarHBondContact O-N 2.91Å; I258-T260 VanDerWaalsContact O-N 3.1Å; T260-K262 PolarHBondContact O-N 3.31Å; T260-C263 WeakPolarHBondContact O-CA 3.34Å; T260-C263 VanDerWaalsContact O-CB 3.25Å; T260-C263 WeakPolarHBondContact O-CB 3.32Å; T260-C263 PolarHBondContact O-N 2.87Å; T260-C263 PolarHBondContact OG1-N 3.48Å; T260-M264 PolarHBondContact O-N 2.91Å
261K85.6Confident84.3Confident154 Ų15486.3 Ų86.367%0.6746%0.456SS*.Hα-helixtrans-52.7-32.7176.3-64.1-177.7179.4-1790113.1K265K261-K265 PolarHBondContact O-N 3.38Å; K261-K265 VanDerWaalsContact O-N 3.12Å
262K88Confident84.6Confident168 Ų16884 Ų8473%0.7343%0.434SS*.Hα-helixtrans-68.3-35.3176-66.5-176.8-179.6179.10112.1T260 R266T260-K262 PolarHBondContact O-N 3.31Å; K262-R266 WeakPolarHBondContact O-CG 3.26Å; K262-R266 PolarHBondContact O-N 3.45Å; K262-R266 PolarHBondContact O-NE 3.43Å
263C88.2Confident84.9Confident25 Ų2585.7 Ų85.717%0.16944%0.438CS..Hα-helixtrans-64.7-55173.7-1660000110.1M259 T260 K265 R266 L267M259-C263 HydrophobicContact CG-CB 3.87Å; T260-C263 WeakPolarHBondContact O-CA 3.34Å; T260-C263 VanDerWaalsContact O-CB 3.25Å; T260-C263 WeakPolarHBondContact O-CB 3.32Å; T260-C263 PolarHBondContact O-N 2.87Å; T260-C263 PolarHBondContact OG1-N 3.48Å; C263-K265 VanDerWaalsContact C-N 3.32Å; C263-K265 PolarHBondContact O-N 2.91Å; C263-R266 CarbonylContact O-C 3.57Å; C263-R266 WeakPolarHBondContact O-CA 3.4Å; C263-R266 WeakPolarHBondContact O-CB 3.43Å; C263-R266 PolarHBondContact O-N 3.46Å; C263-L267 WeakPolarHBondContact O-CG 3.38Å; C263-L267 PolarHBondContact O-N 3.24Å
264M87.9Confident85.4Confident7 Ų782.2 Ų82.23%0.03442%0.424CS..Hα-helixtrans-51.4-48.4178.6-70.7-64.6-73.300113N184 L188 M259 T260 R266 L267 I268N184-M264 HydrophobicContact CB-CE 3.98Å; L188-M264 HydrophobicContact CD1-CE 3.72Å; L188-M264 HydrophobicContact CD2-CE 3.83Å; L188-M264 HydrophobicContact CG-CE 3.56Å; M259-M264 HydrophobicContact CE-CG 4.43Å; M259-M264 HydrophobicContact CE-SD 3.24Å; M259-M264 WeakPolarHBondContact CE-SD 3.24Å; M259-M264 HydrophobicContact CG-CG 4.23Å; M259-M264 HydrophobicContact CG-SD 4.19Å; T260-M264 PolarHBondContact O-N 2.91Å; M264-R266 VanDerWaalsContact C-N 3.31Å; M264-R266 PolarHBondContact O-N 2.76Å; M264-L267 PolarHBondContact O-N 2.97Å; M264-L267 VanDerWaalsContact O-N 3.16Å; M264-I268 WeakPolarHBondContact O-CD1 3.2Å; M264-I268 WeakPolarHBondContact O-CG1 3.29Å; M264-I268 PolarHBondContact O-N 3.2Å
265K89.2Confident86.4Confident142 Ų14275.7 Ų75.762%0.61739%0.39SS*.Hα-helixtrans-59.4-41.1176.9-174.9178.6177.4-178.50112.2K261 C263 I269K261-K265 PolarHBondContact O-N 3.38Å; K261-K265 VanDerWaalsContact O-N 3.12Å; C263-K265 VanDerWaalsContact C-N 3.32Å; C263-K265 PolarHBondContact O-N 2.91Å; K265-I269 HydrophobicContact CG-CD1 3.88Å; K265-I269 WeakPolarHBondContact O-CD1 3.29Å; K265-I269 VanDerWaalsContact O-CG1 3.25Å; K265-I269 WeakPolarHBondContact O-CG1 3.4Å; K265-I269 PolarHBondContact O-N 3.4Å; K265-I269 VanDerWaalsContact O-N 3.1Å
266R91.1Very high87.5Confident171 Ų17174.4 Ų74.465%0.64538%0.377SS*.Hα-helixtrans-66.6-37.5176.3-76.1-175.1-68167.52.5111.9K262 C263 M264 G270K262-R266 WeakPolarHBondContact O-CG 3.26Å; K262-R266 PolarHBondContact O-N 3.45Å; K262-R266 PolarHBondContact O-NE 3.43Å; C263-R266 CarbonylContact O-C 3.57Å; C263-R266 WeakPolarHBondContact O-CA 3.4Å; C263-R266 WeakPolarHBondContact O-CB 3.43Å; C263-R266 PolarHBondContact O-N 3.46Å; M264-R266 VanDerWaalsContact C-N 3.31Å; M264-R266 PolarHBondContact O-N 2.76Å; R266-G270 PolarHBondContact O-N 2.99Å
267L91.6Very high88.7Confident24 Ų2474.3 Ų74.313%0.12637%0.368CS..Hα-helixtrans-64.8-45.6176.3-61.2-177.9000112.2M259 C263 M264 I269 G270 T271 Y385M259-L267 HydrophobicContact CE-CD1 3.57Å; M259-L267 HydrophobicContact SD-CD1 4.15Å; C263-L267 WeakPolarHBondContact O-CG 3.38Å; C263-L267 PolarHBondContact O-N 3.24Å; M264-L267 PolarHBondContact O-N 2.97Å; M264-L267 VanDerWaalsContact O-N 3.16Å; L267-I269 PolarHBondContact O-N 2.94Å; L267-G270 PolarHBondContact O-N 3.34Å; L267-T271 VanDerWaalsContact O-CB 3.32Å; L267-T271 WeakPolarHBondContact O-CB 3.34Å; L267-T271 PolarHBondContact O-N 3.4Å; L267-T271 PolarHBondContact O-OG1 3.17Å; L267-Y385 WeakPolarHBondContact CD1-OH 3.36Å; L267-Y385 HydrophobicContact CD2-CD2 4.36Å; L267-Y385 HydrophobicContact CD2-CE2 3.23Å; L267-Y385 WeakPolarHBondContact CD2-OH 3.36Å
268I92.2Very high89.8Confident29 Ų2973 Ų7315%0.14935%0.352CS..Hα-helixtrans-60.7-49.8178.1-65158.8000109.7L187 L191 F239 M264 G270 T271 Y272L187-I268 HydrophobicContact CD2-CD1 3.64Å; L191-I268 HydrophobicContact CD1-CD1 3.56Å; L191-I268 HydrophobicContact CD1-CG1 3.79Å; L191-I268 HydrophobicContact CD1-CG2 4.08Å; F239-I268 HydrophobicContact CE1-CG1 4.42Å; F239-I268 HydrophobicContact CZ-CG2 4.43Å; M264-I268 WeakPolarHBondContact O-CD1 3.2Å; M264-I268 WeakPolarHBondContact O-CG1 3.29Å; M264-I268 PolarHBondContact O-N 3.2Å; I268-G270 PolarHBondContact O-N 2.88Å; I268-T271 WeakPolarHBondContact O-CB 3.39Å; I268-T271 PolarHBondContact O-N 3Å; I268-Y272 HydrophobicContact CG2-CD2 4.01Å; I268-Y272 HydrophobicContact CG2-CE2 3.77Å; I268-Y272 WeakPolarHBondContact O-CD2 3.32Å; I268-Y272 PolarHBondContact O-N 3.22Å
269I93.6Very high90.7Very high82 Ų8268.6 Ų68.642%0.42133%0.329SS..Hα-helixtrans-62.2-45.3178.4-66.6168000111.1K265 L267 T271 Y272 I273K265-I269 HydrophobicContact CG-CD1 3.88Å; K265-I269 WeakPolarHBondContact O-CD1 3.29Å; K265-I269 VanDerWaalsContact O-CG1 3.25Å; K265-I269 WeakPolarHBondContact O-CG1 3.4Å; K265-I269 PolarHBondContact O-N 3.4Å; K265-I269 VanDerWaalsContact O-N 3.1Å; L267-I269 PolarHBondContact O-N 2.94Å; I269-T271 VanDerWaalsContact C-N 3.3Å; I269-T271 PolarHBondContact O-N 3.14Å; I269-Y272 PolarHBondContact O-N 2.98Å; I269-I273 HydrophobicContact CG2-CD1 3.71Å; I269-I273 HydrophobicContact CG2-CG1 4.37Å; I269-I273 WeakPolarHBondContact O-CG1 3.48Å; I269-I273 PolarHBondContact O-N 3.42Å
270G93.2Very high91.5Very high31 Ų3170.1 Ų70.132%0.3234%0.337SS..Hα-helixtrans-61.4-37.9178.600000112.8R266 L267 I268 I273 L274R266-G270 PolarHBondContact O-N 2.99Å; L267-G270 PolarHBondContact O-N 3.34Å; I268-G270 PolarHBondContact O-N 2.88Å; G270-I273 PolarHBondContact O-N 3.24Å; G270-L274 VanDerWaalsContact O-CB 3.26Å; G270-L274 WeakPolarHBondContact O-CB 3.28Å; G270-L274 PolarHBondContact O-N 2.91Å
271T93.8Very high91.7Very high4 Ų469.5 Ų69.53%0.02534%0.335CS..Hα-helixtrans-62.5-45.7176.1-60.90000111.6V235 L238 F239 I242 L267 I268 I269 L274 G275V235-T271 HydrophobicContact CG1-CG2 4.49Å; L238-T271 HydrophobicContact CB-CG2 3.48Å; L238-T271 VanDerWaalsContact CB-CG2 3.48Å; L238-T271 HydrophobicContact CD1-CG2 3.9Å; L238-T271 HydrophobicContact CG-CG2 4.34Å; F239-T271 HydrophobicContact CE2-CG2 4.5Å; F239-T271 HydrophobicContact CZ-CG2 4.45Å; I242-T271 HydrophobicContact CD1-CG2 4.46Å; I242-T271 WeakPolarHBondContact CD1-OG1 3.35Å; L267-T271 VanDerWaalsContact O-CB 3.32Å; L267-T271 WeakPolarHBondContact O-CB 3.34Å; L267-T271 PolarHBondContact O-N 3.4Å; L267-T271 PolarHBondContact O-OG1 3.17Å; I268-T271 WeakPolarHBondContact O-CB 3.39Å; I268-T271 PolarHBondContact O-N 3Å; I269-T271 VanDerWaalsContact C-N 3.3Å; I269-T271 PolarHBondContact O-N 3.14Å; T271-L274 PolarHBondContact O-N 3.02Å; T271-G275 PolarHBondContact O-N 3.14Å
272Y95.1Very high91.6Very high71 Ų7164.3 Ų64.328%0.27831%0.314SS..Hα-helixtrans-66-42.2176.4-77.9-65.4000112.5F231 V235 F239 I268 I269 G275 L276F231-Y272 HydrophobicContact CE2-CD1 4.27Å; F231-Y272 AromaticContact CZ-CD1 3.69Å; F231-Y272 HydrophobicContact CZ-CD1 3.69Å; F231-Y272 HydrophobicContact CZ-CE1 4.25Å; V235-Y272 HydrophobicContact CG1-CD1 4.03Å; V235-Y272 HydrophobicContact CG1-CE1 3.7Å; V235-Y272 HydrophobicContact CG2-CD1 4.04Å; V235-Y272 HydrophobicContact CG2-CE1 4.44Å; F239-Y272 HydrophobicContact CE2-CE1 4.48Å; F239-Y272 HydrophobicContact CE2-CE2 4.37Å; F239-Y272 AromaticContact CE2-CZ 4Å; F239-Y272 AromaticContact CZ-CE2 3.91Å; F239-Y272 HydrophobicContact CZ-CE2 3.91Å; F239-Y272 AromaticContact CZ-CZ 3.99Å; I268-Y272 HydrophobicContact CG2-CD2 4.01Å; I268-Y272 HydrophobicContact CG2-CE2 3.77Å; I268-Y272 WeakPolarHBondContact O-CD2 3.32Å; I268-Y272 PolarHBondContact O-N 3.22Å; I269-Y272 PolarHBondContact O-N 2.98Å; Y272-G275 PolarHBondContact O-N 2.87Å; Y272-L276 WeakPolarHBondContact O-CB 3.34Å; Y272-L276 PolarHBondContact O-N 3.45Å
273I95.2Very high91.5Very high106 Ų10656.4 Ų56.454%0.54428%0.279SS..Hα-helixtrans-63.1-45.1176.9-67169.8000110.4I269 G270 L276 L277I269-I273 HydrophobicContact CG2-CD1 3.71Å; I269-I273 HydrophobicContact CG2-CG1 4.37Å; I269-I273 WeakPolarHBondContact O-CG1 3.48Å; I269-I273 PolarHBondContact O-N 3.42Å; G270-I273 PolarHBondContact O-N 3.24Å; I273-L276 PolarHBondContact O-N 3.24Å; I273-L277 WeakPolarHBondContact O-CB 3.2Å; I273-L277 PolarHBondContact O-N 3.24Å
274L94Very high91.5Very high29 Ų2961.3 Ų61.315%0.15230%0.303CS..Hα-helixtrans-64.4-47.3178.7-172.166.4000110.8L238 G270 T271 L276 L277 W278 F381L238-L274 HydrophobicContact CD1-CB 4.31Å; L238-L274 HydrophobicContact CD1-CD2 3.94Å; L238-L274 HydrophobicContact CD1-CG 4.31Å; L238-L274 HydrophobicContact CD2-CD2 4.14Å; G270-L274 VanDerWaalsContact O-CB 3.26Å; G270-L274 WeakPolarHBondContact O-CB 3.28Å; G270-L274 PolarHBondContact O-N 2.91Å; T271-L274 PolarHBondContact O-N 3.02Å; L274-L276 VanDerWaalsContact C-N 3.26Å; L274-L276 PolarHBondContact O-N 3.24Å; L274-L277 PolarHBondContact O-N 2.98Å; L274-W278 WeakPolarHBondContact O-CB 3.48Å; L274-W278 PolarHBondContact O-N 2.82Å; L274-F381 HydrophobicContact CD1-CD2 4.49Å; L274-F381 HydrophobicContact CD2-CD1 4.02Å; L274-F381 HydrophobicContact CD2-CD2 3.54Å; L274-F381 HydrophobicContact CD2-CE1 3.93Å; L274-F381 HydrophobicContact CD2-CE2 3.46Å; L274-F381 VanDerWaalsContact CD2-CE2 3.46Å; L274-F381 HydrophobicContact CD2-CG 3.83Å; L274-F381 HydrophobicContact CD2-CZ 3.66Å
275G94.6Very high91.2Very high0 Ų067.9 Ų67.90%033%0.333CS..Hα-helixtrans-56.3-41.2175.300000112.4T271 Y272 W278 A279T271-G275 PolarHBondContact O-N 3.14Å; Y272-G275 PolarHBondContact O-N 2.87Å; G275-W278 PolarHBondContact O-N 3.3Å; G275-A279 WeakPolarHBondContact O-CB 3.35Å; G275-A279 PolarHBondContact O-N 2.78Å
276L93.5Very high90.3Very high85 Ų8563.2 Ų63.245%0.44531%0.314SS..Hα-helixtrans-68.4-45.6177.2-172.467000111.8F231 Y272 I273 L274 W278 A279 I280F231-L276 HydrophobicContact CD2-CB 4.18Å; F231-L276 HydrophobicContact CD2-CD1 4.34Å; F231-L276 HydrophobicContact CE2-CB 4.06Å; Y272-L276 WeakPolarHBondContact O-CB 3.34Å; Y272-L276 PolarHBondContact O-N 3.45Å; I273-L276 PolarHBondContact O-N 3.24Å; L274-L276 VanDerWaalsContact C-N 3.26Å; L274-L276 PolarHBondContact O-N 3.24Å; L276-W278 PolarHBondContact O-N 3.41Å; L276-A279 PolarHBondContact O-N 2.78Å; L276-A279 VanDerWaalsContact O-N 3.14Å; L276-I280 HydrophobicContact CG-CD1 4.11Å; L276-I280 VanDerWaalsContact O-CG1 3.26Å; L276-I280 WeakPolarHBondContact O-CG1 3.47Å; L276-I280 PolarHBondContact O-N 2.85Å
277L93.5Very high88.9Confident113 Ų11356.6 Ų56.659%0.59230%0.299SS*.Hα-helixtrans-60.5-33.5178.4-174.163.8000112I273 L274 P281I273-L277 WeakPolarHBondContact O-CB 3.2Å; I273-L277 PolarHBondContact O-N 3.24Å; L274-L277 PolarHBondContact O-N 2.98Å; L277-P281 WeakPolarHBondContact O-CD 3.5Å
278W92Very high87.3Confident77 Ų7757 Ų5729%0.29230%0.303SS..Hα-helixtrans-76.7-35.4174.7-87.986.8000113.7T234 L274 G275 L276 P281 A377T234-W278 HydrophobicContact CG2-CB 4.31Å; L274-W278 WeakPolarHBondContact O-CB 3.48Å; L274-W278 PolarHBondContact O-N 2.82Å; G275-W278 PolarHBondContact O-N 3.3Å; L276-W278 PolarHBondContact O-N 3.41Å; W278-P281 WeakPolarHBondContact O-CD 3.43Å; W278-P281 WeakPolarHBondContact O-CG 3.47Å; W278-A377 HydrophobicContact CH2-CB 3.62Å; W278-A377 HydrophobicContact CZ2-CB 3.46Å; W278-A377 VanDerWaalsContact CZ2-CB 3.46Å
279A92.5Very high85.6Confident0 Ų063.7 Ų63.70%033%0.333CS..Hα-helixtrans-72.6-34-179.800000113.1I227 F231 G275 L276 M282 G283I227-A279 HydrophobicContact CG2-CB 4.15Å; F231-A279 HydrophobicContact CB-CB 3.71Å; G275-A279 WeakPolarHBondContact O-CB 3.35Å; G275-A279 PolarHBondContact O-N 2.78Å; L276-A279 PolarHBondContact O-N 2.78Å; L276-A279 VanDerWaalsContact O-N 3.14Å; A279-M282 PolarHBondContact O-N 3.1Å; A279-G283 PolarHBondContact O-N 3.32Å
280I91.1Very high83.6Confident71 Ų7163.3 Ų63.336%0.36433%0.334SS..Hα-helixtrans-56.4-55179.8-69.4162.7000113L276 M282 G283 L284L276-I280 HydrophobicContact CG-CD1 4.11Å; L276-I280 VanDerWaalsContact O-CG1 3.26Å; L276-I280 WeakPolarHBondContact O-CG1 3.47Å; L276-I280 PolarHBondContact O-N 2.85Å; I280-M282 VanDerWaalsContact C-N 3.28Å; I280-M282 PolarHBondContact O-N 3.32Å; I280-G283 PolarHBondContact O-N 2.91Å; I280-L284 HydrophobicContact CG2-CD1 3.59Å; I280-L284 HydrophobicContact CG2-CG 4.16Å; I280-L284 WeakPolarHBondContact O-CB 3.33Å; I280-L284 VanDerWaalsContact O-CG 3.3Å; I280-L284 WeakPolarHBondContact O-CG 3.38Å; I280-L284 PolarHBondContact O-N 2.85Å
281P89.6Confident81.6Confident71 Ų7171.5 Ų71.546%0.46136%0.357SS..Hα-helixtrans-63.7-34.3-178.823.9-33.8000112.4L277 W278 L284 H285L277-P281 WeakPolarHBondContact O-CD 3.5Å; W278-P281 WeakPolarHBondContact O-CD 3.43Å; W278-P281 WeakPolarHBondContact O-CG 3.47Å; P281-L284 PolarHBondContact O-N 2.81Å; P281-H285 WeakPolarHBondContact O-CB 3.2Å; P281-H285 PolarHBondContact O-N 3.42Å
282M84.5Confident79.6Confident45 Ų4578.5 Ų78.522%0.22239%0.387CS..Hα-helixtrans-64.2-44.4175.3-74.5-69.117600111.8A279 I280 Q286 I372A279-M282 PolarHBondContact O-N 3.1Å; I280-M282 VanDerWaalsContact C-N 3.28Å; I280-M282 PolarHBondContact O-N 3.32Å; M282-Q286 PolarHBondContact O-N 2.84Å; M282-I372 HydrophobicContact CE-CD1 3.48Å; M282-I372 VanDerWaalsContact CE-CD1 3.48Å; M282-I372 HydrophobicContact CE-CG1 3.4Å; M282-I372 HydrophobicContact CG-CD1 4.45Å; M282-I372 HydrophobicContact SD-CD1 4.04Å
283G86.1Confident77.5Confident1 Ų183.8 Ų83.81%0.0141%0.412CS..Hα-helixtrans-70.1-33.7176.500000114.4A279 I280A279-G283 PolarHBondContact O-N 3.32Å; I280-G283 PolarHBondContact O-N 2.91Å
284L86.5Confident75.3Confident128 Ų12884.2 Ų84.267%0.6741%0.414SS*.Hα-helixtrans-74.4-35.3178.6-72.2176000112.5I280 P281 Q286I280-L284 HydrophobicContact CG2-CD1 3.59Å; I280-L284 HydrophobicContact CG2-CG 4.16Å; I280-L284 WeakPolarHBondContact O-CB 3.33Å; I280-L284 VanDerWaalsContact O-CG 3.3Å; I280-L284 WeakPolarHBondContact O-CG 3.38Å; I280-L284 PolarHBondContact O-N 2.85Å; P281-L284 PolarHBondContact O-N 2.81Å; L284-Q286 VanDerWaalsContact C-N 3.28Å
285H82.2Confident73.2Confident145 Ų14585.6 Ų85.667%0.67143%0.426SS*.Hα-helixtrans-70.3-28.7177.1-166.6-85.2000111.9P281 G287P281-H285 WeakPolarHBondContact O-CB 3.2Å; P281-H285 PolarHBondContact O-N 3.42Å; H285-G287 PolarHBondContact O-N 2.72Å
286Q70Confident71.2Confident45 Ų4589.3 Ų89.321%0.2145%0.449CS..  trans-83.664.5172.5-68.1178.93.200110.3M282 L284M282-Q286 PolarHBondContact O-N 2.84Å; L284-Q286 VanDerWaalsContact C-N 3.28Å
287G61.5Low69.2Low32 Ų3289.6 Ų89.633%0.3345%0.454SS..  trans-79.6139.4162.200000109.3H285 H289H285-G287 PolarHBondContact O-N 2.72Å; G287-H289 PolarHBondContact O-N 2.96Å
288V58Low67.3Low33 Ų3389.2 Ų89.220%0.245%0.453CS..  trans-53.3114.3165.8-173.80000106.3D219 T290D219-V288 HydrophobicContact CB-CG2 4.1Å; D219-V288 WeakPolarHBondContact OD1-CG2 3.48Å; D219-V288 WeakPolarHBondContact OD2-CG2 3.16Å; V288-T290 PolarHBondContact O-N 3.42Å
289H56.4Low65.4Low168 Ų16892.7 Ų92.778%0.77847%0.47SS*.  trans-59.495164-99.2-81.9000104.9G287 Y291G287-H289 PolarHBondContact O-N 2.96Å; H289-Y291 VanDerWaalsContact C-N 3.29Å; H289-Y291 WeakPolarHBondContact O-CD2 3.35Å; H289-Y291 PolarHBondContact O-N 2.7Å
290T53Low63.5Low75 Ų7598.5 Ų98.546%0.4650%0.5SS..  trans-60103171.2520000104.4V288 F292V288-T290 PolarHBondContact O-N 3.42Å; T290-F292 PolarHBondContact O-N 3.31Å
291Y51.4Low61.8Low202 Ų202100.1 Ų100.179%0.79251%0.513SS*.G310 helixtrans-57.71.3168.5-80.5-87.9000112.1H289 K293 I294H289-Y291 VanDerWaalsContact C-N 3.29Å; H289-Y291 WeakPolarHBondContact O-CD2 3.35Å; H289-Y291 PolarHBondContact O-N 2.7Å; Y291-K293 PolarHBondContact O-N 2.96Å; Y291-I294 PolarHBondContact O-N 3.01Å
292F50.3Low60.1Low151 Ų15199.9 Ų99.966%0.66251%0.513SS*.G310 helixtrans-59.4-1.4172.6-121.1-85000116.4T290 I294T290-F292 PolarHBondContact O-N 3.31Å; F292-I294 VanDerWaalsContact C-N 3.34Å
293K50.7Low58.6Low183 Ų183101 Ų10180%0.79653%0.526SS*.G310 helixtrans-80.1-5.9168.4-95-171.2175.6179.20115.2Y291Y291-K293 PolarHBondContact O-N 2.96Å
294I50.2Low57Low114 Ų114106.7 Ų106.759%0.58556%0.556SS**SBendtrans-100.7-20.2178.3-72.3140000113.7Y291 F292Y291-I294 PolarHBondContact O-N 3.01Å; F292-I294 VanDerWaalsContact C-N 3.34Å
295S50.2Low55.5Low58 Ų58104 Ų10441%0.40655%0.548SS..Hα-helixtrans-82.3-15.7-179.7-169.60000114.5K299S295-K299 WeakPolarHBondContact O-CB 3.22Å; S295-K299 PolarHBondContact O-N 3.37Å
296T51.7Low54.2Low79 Ų79103.4 Ų103.449%0.48555%0.545SS..Hα-helixtrans-74.2-28.4172.646.10000112.4L300T296-L300 VanDerWaalsContact O-CB 3.31Å; T296-L300 WeakPolarHBondContact O-CB 3.46Å; T296-L300 VanDerWaalsContact O-CD1 3.29Å; T296-L300 WeakPolarHBondContact O-CD1 3.41Å; T296-L300 PolarHBondContact O-N 3.07Å
297V52.5Low53.4Low90 Ų90103.5 Ų103.555%0.54555%0.553SS.*Hα-helixtrans-72.3-38.3174.1-176.50000110.6L300 V301V297-L300 PolarHBondContact O-N 3.21Å; V297-V301 WeakPolarHBondContact O-CG2 3.27Å; V297-V301 PolarHBondContact O-N 2.98Å
298D52.6Low53Low106 Ų106107.9 Ų107.957%0.56757%0.568SS**Hα-helixtrans-73.9-27.6174.1-75.2-24.5000113.3S302D298-S302 WeakPolarHBondContact O-CB 3.23Å; D298-S302 PolarHBondContact O-N 3.03Å
299K53.1Low53Low150 Ų150111.9 Ų111.965%0.65259%0.587SS**Hα-helixtrans-76.4-24.8169-88.1-161.7170.1-1720114.2S295 S303S295-K299 WeakPolarHBondContact O-CB 3.22Å; S295-K299 PolarHBondContact O-N 3.37Å; K299-S303 WeakPolarHBondContact O-CB 2.99Å; K299-S303 PolarHBondContact O-N 2.82Å; K299-S303 PolarHBondContact O-OG 3.07Å
300L52.1Low52.9Low121 Ų121110.7 Ų110.763%0.63458%0.584SS**Hα-helixtrans-76.7-31171.2-92.4139.7000111.6T296 V297T296-L300 VanDerWaalsContact O-CB 3.31Å; T296-L300 WeakPolarHBondContact O-CB 3.46Å; T296-L300 VanDerWaalsContact O-CD1 3.29Å; T296-L300 WeakPolarHBondContact O-CD1 3.41Å; T296-L300 PolarHBondContact O-N 3.07Å; V297-L300 PolarHBondContact O-N 3.21Å
301V54.2Low53Low105 Ų105114.5 Ų114.564%0.63659%0.594SS**Hα-helixtrans-79.9-29.6173.9172.70000112.5V297V297-V301 WeakPolarHBondContact O-CG2 3.27Å; V297-V301 PolarHBondContact O-N 2.98Å
302S54Low53.2Low67 Ų67112.2 Ų112.247%0.46959%0.59SS.*Hα-helixtrans-83.8-15.5176.1-167.70000114.5D298 S305D298-S302 WeakPolarHBondContact O-CB 3.23Å; D298-S302 PolarHBondContact O-N 3.03Å; S302-S305 PolarHBondContact O-OG 2.76Å
303S53.3Low53.5Low69 Ų69112.5 Ų112.548%0.48359%0.594SS.*Hα-helixtrans-83.7-21178.6-66.40000113.6K299 S305 A307K299-S303 WeakPolarHBondContact O-CB 2.99Å; K299-S303 PolarHBondContact O-N 2.82Å; K299-S303 PolarHBondContact O-OG 3.07Å; S303-S305 VanDerWaalsContact C-N 3.31Å; S303-S305 PolarHBondContact O-N 2.88Å; S303-A307 WeakPolarHBondContact O-CB 3.37Å; S303-A307 PolarHBondContact O-N 3.16Å
304D53.3Low53.7Low119 Ų119110.7 Ų110.764%0.63659%0.592SS**Hα-helixtrans-74.1-21.5177-80.2-12.7000112.6I308D304-I308 VanDerWaalsContact O-CD1 3.26Å; D304-I308 WeakPolarHBondContact O-CD1 3.4Å; D304-I308 VanDerWaalsContact O-CG1 3.31Å; D304-I308 WeakPolarHBondContact O-CG1 3.32Å
305S55.6Low54Low72 Ų72112.3 Ų112.350%0.50360%0.602SS.*Hα-helixtrans-88.9-26.7175.660.20000114.5S302 S303S302-S305 PolarHBondContact O-OG 2.76Å; S303-S305 VanDerWaalsContact C-N 3.31Å; S303-S305 PolarHBondContact O-N 2.88Å
306E54.9Low54.2Low133 Ų133113.9 Ų113.962%0.62161%0.613SS**Hα-helixtrans-92.3-25.9176.7-77.1-172.8162.800113.4I308 I309 M310E306-I308 VanDerWaalsContact C-N 3.29Å; E306-I308 PolarHBondContact O-N 3.34Å; E306-I309 PolarHBondContact O-N 2.83Å; E306-M310 PolarHBondContact O-N 3.45Å
307A53.2Low53.7Low46 Ų46115.4 Ų115.438%0.3863%0.627SS.*Hα-helixtrans-67-30.7172.500000112.3S303 I309 F311S303-A307 WeakPolarHBondContact O-CB 3.37Å; S303-A307 PolarHBondContact O-N 3.16Å; A307-I309 VanDerWaalsContact C-N 3.29Å; A307-I309 PolarHBondContact O-N 3.42Å; A307-F311 WeakPolarHBondContact O-CB 3.48Å; A307-F311 WeakPolarHBondContact O-CD2 3.33Å; A307-F311 PolarHBondContact O-N 2.87Å; A307-F311 VanDerWaalsContact O-N 3.13Å
308I53.4Low53.4Low125 Ų125116.3 Ų116.364%0.64163%0.634SS**Hα-helixtrans-70.8-27.3177-64.1173.9000111.5D304 E306 H312D304-I308 VanDerWaalsContact O-CD1 3.26Å; D304-I308 WeakPolarHBondContact O-CD1 3.4Å; D304-I308 VanDerWaalsContact O-CG1 3.31Å; D304-I308 WeakPolarHBondContact O-CG1 3.32Å; E306-I308 VanDerWaalsContact C-N 3.29Å; E306-I308 PolarHBondContact O-N 3.34Å; I308-H312 PolarHBondContact O-N 2.9Å
309I56.3Low53Low116 Ų116120.7 Ų120.760%0.59565%0.648SS**Hα-helixtrans-81.6-37.9179.6-58176.6000111E306 A307E306-I309 PolarHBondContact O-N 2.83Å; A307-I309 VanDerWaalsContact C-N 3.29Å; A307-I309 PolarHBondContact O-N 3.42Å
310M55.6Low52.7Low144 Ų144119.5 Ų119.571%0.70965%0.654SS**Hα-helixtrans-75.2-24.6175.2-95.3-161.2-99.400114.4E306E306-M310 PolarHBondContact O-N 3.45Å
311F55.4Low52.5Low155 Ų155120.5 Ų120.568%0.6866%0.66SS**Hα-helixtrans-80.4-19.2174.1-90.4-82.4000114.1A307A307-F311 WeakPolarHBondContact O-CB 3.48Å; A307-F311 WeakPolarHBondContact O-CD2 3.33Å; A307-F311 PolarHBondContact O-N 2.87Å; A307-F311 VanDerWaalsContact O-N 3.13Å
312H55.3Low52.2Low154 Ų154124.6 Ų124.671%0.71367%0.672SS**Hα-helixtrans-81.6-20.7176.7-159.5-83000113I308I308-H312 PolarHBondContact O-N 2.9Å
313E55.4Low51.9Low156 Ų156126.4 Ų126.473%0.72968%0.684SS**Hα-helixtrans-90.6-15-179.8-155162.6159.400113.9
314L55.5Low51.7Low145 Ų145131.4 Ų131.476%0.75970%0.7SS**SBendtrans-92.8-9.1177.4-87.4152.9000114.6
315N56.6Low51.4Low148 Ų148133 Ų13379%0.79171%0.708SS**SBendtrans-98.25.6179-84.9-26.7000114.4
316S54.4Low50.9Low91 Ų91137.4 Ų137.464%0.63673%0.726SS**  trans-117.554.4-179.6550000112.6
317S40.8Very low50.5Low111 Ų111134.3 Ų134.378%0.77673%0.73SS**SBendtrans-149.9131.2155.5-168.40000112.3
318P46.3Very low50.2Low109 Ų109137.4 Ų137.471%0.70875%0.749SS**  trans-101.8140.1-155.416.64.1000113.7
319K44.5Very low50.1Low198 Ų198137.4 Ų137.486%0.86175%0.754SS**  trans47.7107.9138.8-63.5178.7176.9176.90118.2
320T46.1Very low49.7Very low125 Ų125137.3 Ų137.377%0.76776%0.764SS**  trans-155.3111.8134.3-37.80000111.8
321N47.9Very low49.5Very low143 Ų143137.3 Ų137.377%0.76577%0.767SS**  trans36.7104.7146.6-47.9-19.5000118.7
322Q49.3Very low49.3Very low191 Ų191135.1 Ų135.189%0.89377%0.771SS**  58.1100.777.1-154.2-177.25600115.1
323S47Very low49Very low104 Ų104132.9 Ų132.973%0.72777%0.773SS**  170.6132.6118.362.10000112.9
324Q48.1Very low48.7Very low174 Ų174133.2 Ų133.281%0.81378%0.778SS**  trans48.8133.1135.6-68.3-178.60.900119.3
325L48.1Very low48.7Very low154 Ų154134 Ų13481%0.80678%0.781SS**  -176154.552.1-152.8100.3000110.3
326N45.4Very low48.2Very low164 Ų164131.6 Ų131.688%0.87777%0.774SS**  trans-72.4163.6-178.7-70.8-33.6000116.1
327G45.6Very low48Very low68 Ų68132.6 Ų132.670%0.70178%0.781SS**  trans158.393.3153.900000111.9
328S46.5Very low48.6Very low111 Ų111132.5 Ų132.578%0.77678%0.776SS**  81.8109.976.9730000115.9
329V51.9Low48.9Very low125 Ų125135.7 Ų135.776%0.75878%0.779SS**  trans61.3122130.6-1750000119
330S48.8Very low49.4Very low114 Ų114130.1 Ų130.180%0.79777%0.765SS**  -176.7130.6118.8-74.90000113.8
331D49.9Very low49.9Very low143 Ų143128.1 Ų128.177%0.76576%0.756SS**  trans-28.1150.1165.2-58.2-50.3000119.4
332S51.4Low50.1Low109 Ų109127.3 Ų127.376%0.76275%0.751SS**  159.4142.3105.252.80000115.8
333S50.5Low50.7Low108 Ų108122.3 Ų122.376%0.75573%0.733SS**  trans72.4105.6153.768.20000119.5
334L48.7Very low51.4Low163 Ų163124.2 Ų124.285%0.85373%0.726SS**  63.313281.3-120.7100.6000115.3
335I54.7Low52.1Low160 Ų160123.2 Ų123.282%0.82172%0.719SS**  trans105.2130.6164.4-51.3153.8000115.7
336P46.8Very low53Low98 Ų98119 Ų11964%0.63670%0.699SS**  cis-126151.2-45.233.6-13.7000112.5T338P336-T338 PolarHBondContact O-N 3.34Å
337S48.9Very low54.2Low113 Ų113113.6 Ų113.679%0.7968%0.675SS**  trans-74.782.4179.358.80000113.3
338T53.3Low55.3Low108 Ų108114.9 Ų114.966%0.66366%0.663SS**  trans-131-0.5165.343.80000113.6P336P336-T338 PolarHBondContact O-N 3.34Å
339K53.6Low56.4Low177 Ų177115.2 Ų115.277%0.7765%0.65SS**SBendtrans-86.3-12.5177.2-71-175.9177.4178.10114.6T343K339-T343 PolarHBondContact O-N 3.35Å; K339-T343 PolarHBondContact O-OG1 2.89Å
340S55.5Low57.3Low81 Ų81113.8 Ų113.857%0.56664%0.637SS**Hα-helixtrans-77-27.3-17554.20000114.4T343 Y344S340-T343 WeakPolarHBondContact CA-OG1 3.47Å; S340-T343 PolarHBondContact O-OG1 3.45Å; S340-Y344 WeakPolarHBondContact O-CB 3.48Å; S340-Y344 PolarHBondContact O-N 3.26Å
341S55.7Low58.3Low83 Ų83113.6 Ų113.658%0.5863%0.627SS**Hα-helixtrans-74.5-36.7177.659.70000112Y344 F345S341-Y344 PolarHBondContact O-N 2.87Å; S341-F345 PolarHBondContact O-N 3.22Å
342L53.4Low58.9Low125 Ų125110.7 Ų110.765%0.65461%0.611SS**Hα-helixtrans-70.6-40.1179.5-155112.5000111.1Y344 F345 T346L342-Y344 VanDerWaalsContact C-N 3.34Å; L342-F345 PolarHBondContact O-N 2.95Å; L342-T346 PolarHBondContact O-N 3.43Å; L342-T346 PolarHBondContact O-OG1 3.23Å
343T60Low59.5Low86 Ų86109 Ų10953%0.52859%0.593SS.*Hα-helixtrans-66.6-34.2175.946.60000112.9K339 S340 T346 S347K339-T343 PolarHBondContact O-N 3.35Å; K339-T343 PolarHBondContact O-OG1 2.89Å; S340-T343 WeakPolarHBondContact CA-OG1 3.47Å; S340-T343 PolarHBondContact O-OG1 3.45Å; T343-T346 WeakPolarHBondContact CA-OG1 3.31Å; T343-T346 PolarHBondContact O-OG1 2.99Å; T343-S347 WeakPolarHBondContact O-CB 3.47Å; T343-S347 PolarHBondContact O-N 2.9Å; T343-S347 PolarHBondContact O-OG 3.4Å
344Y62.7Low60.2Low145 Ų145107.3 Ų107.357%0.56958%0.578SS**Hα-helixtrans-68-38.3172.7-173-102.8000111.9S340 S341 L342 S347 Q348S340-Y344 WeakPolarHBondContact O-CB 3.48Å; S340-Y344 PolarHBondContact O-N 3.26Å; S341-Y344 PolarHBondContact O-N 2.87Å; L342-Y344 VanDerWaalsContact C-N 3.34Å; Y344-S347 PolarHBondContact O-OG 2.94Å; Y344-Q348 HydrophobicContact CE1-CG 4.25Å; Y344-Q348 WeakPolarHBondContact O-CB 3.43Å; Y344-Q348 WeakPolarHBondContact O-CG 3.19Å; Y344-Q348 PolarHBondContact O-N 2.97Å; Y344-Q348 PolarHBondContact OH-NE2 3.34Å
345F62.8Low60.8Low152 Ų152101.4 Ų101.467%0.66755%0.55SS**Hα-helixtrans-69.5-41.4175.7-130.6-83.2000112S341 L342 F349S341-F345 PolarHBondContact O-N 3.22Å; L342-F345 PolarHBondContact O-N 2.95Å; F345-F349 VanDerWaalsContact O-CB 3.22Å; F345-F349 WeakPolarHBondContact O-CB 3.41Å; F345-F349 PolarHBondContact O-N 3.13Å
346T67.5Low60.7Low65 Ų6596.2 Ų96.240%0.39952%0.522SS..Hα-helixtrans-68.6-37173.923.80000112.2L342 T343 F349 I350L342-T346 PolarHBondContact O-N 3.43Å; L342-T346 PolarHBondContact O-OG1 3.23Å; T343-T346 WeakPolarHBondContact CA-OG1 3.31Å; T343-T346 PolarHBondContact O-OG1 2.99Å; T346-F349 PolarHBondContact O-N 3.03Å; T346-I350 WeakPolarHBondContact O-CB 3.32Å; T346-I350 WeakPolarHBondContact O-CD1 3.42Å; T346-I350 WeakPolarHBondContact O-CG1 3.38Å; T346-I350 PolarHBondContact O-N 3.35Å
347S69.2Low61.2Low52 Ų5295.5 Ų95.536%0.36452%0.516SS..Hα-helixtrans-66-44.6176.169.30000111.3T343 Y344 F349 I350 D351T343-S347 WeakPolarHBondContact O-CB 3.47Å; T343-S347 PolarHBondContact O-N 2.9Å; T343-S347 PolarHBondContact O-OG 3.4Å; Y344-S347 PolarHBondContact O-OG 2.94Å; S347-F349 VanDerWaalsContact C-N 3.31Å; S347-F349 PolarHBondContact O-N 3.4Å; S347-I350 PolarHBondContact O-N 3.49Å; S347-D351 WeakPolarHBondContact O-CB 3.25Å; S347-D351 PolarHBondContact O-N 3.46Å
348Q70.3Confident61.6Low95 Ų9593.5 Ų93.544%0.44450%0.497SS..Hα-helixtrans-61.8-39173.4-78-160.711.100112.2Y344 L352Y344-Q348 HydrophobicContact CE1-CG 4.25Å; Y344-Q348 WeakPolarHBondContact O-CB 3.43Å; Y344-Q348 WeakPolarHBondContact O-CG 3.19Å; Y344-Q348 PolarHBondContact O-N 2.97Å; Y344-Q348 PolarHBondContact OH-NE2 3.34Å; Q348-L352 WeakPolarHBondContact O-CB 3.29Å; Q348-L352 PolarHBondContact O-N 3.49Å
349F68.8Low61.5Low117 Ų11795.7 Ų95.751%0.51349%0.494SS..Hα-helixtrans-70.6-36178.3-167.2-104.7000112.2F345 T346 S347 L352 I353F345-F349 VanDerWaalsContact O-CB 3.22Å; F345-F349 WeakPolarHBondContact O-CB 3.41Å; F345-F349 PolarHBondContact O-N 3.13Å; T346-F349 PolarHBondContact O-N 3.03Å; S347-F349 VanDerWaalsContact C-N 3.31Å; S347-F349 PolarHBondContact O-N 3.4Å; F349-L352 HydrophobicContact CD2-CD2 4.39Å; F349-L352 WeakPolarHBondContact O-CB 3.37Å; F349-L352 PolarHBondContact O-N 2.92Å; F349-I353 HydrophobicContact CD1-CD1 3.53Å; F349-I353 HydrophobicContact CD1-CG1 4.26Å; F349-I353 HydrophobicContact CE1-CD1 3.27Å; F349-I353 HydrophobicContact CE1-CG1 4.11Å; F349-I353 HydrophobicContact CG-CD1 4.49Å; F349-I353 HydrophobicContact CZ-CD1 4.04Å; F349-I353 WeakPolarHBondContact O-CB 3.18Å; F349-I353 VanDerWaalsContact O-CG1 3.27Å; F349-I353 WeakPolarHBondContact O-CG1 3.45Å; F349-I353 PolarHBondContact O-N 2.87Å
350I71.8Confident61.6Low95 Ų9588.1 Ų88.149%0.48747%0.466SS..Hα-helixtrans-67.9-46.4173.3-69.8164.9000109.5T346 S347 L352 I353 T354T346-I350 WeakPolarHBondContact O-CB 3.32Å; T346-I350 WeakPolarHBondContact O-CD1 3.42Å; T346-I350 WeakPolarHBondContact O-CG1 3.38Å; T346-I350 PolarHBondContact O-N 3.35Å; S347-I350 PolarHBondContact O-N 3.49Å; I350-L352 PolarHBondContact O-N 3.43Å; I350-I353 CarbonylContact O-C 3.5Å; I350-I353 PolarHBondContact O-N 3.17Å; I350-I353 VanDerWaalsContact O-N 3.1Å; I350-T354 WeakPolarHBondContact O-CB 3.31Å; I350-T354 PolarHBondContact O-N 2.98Å; I350-T354 PolarHBondContact O-OG1 3.3Å
351D68.6Low61.7Low110 Ų11092 Ų9259%0.58847%0.469SS*.Hα-helixtrans-59.7-38.2174.8-73.8-21000111.3S347 S355S347-D351 WeakPolarHBondContact O-CB 3.25Å; S347-D351 PolarHBondContact O-N 3.46Å; D351-S355 VanDerWaalsContact O-CB 3.23Å; D351-S355 WeakPolarHBondContact O-CB 3.4Å; D351-S355 PolarHBondContact O-N 2.9Å
352L63.1Low62.1Low82 Ų8290 Ų9043%0.42946%0.455SS..Hα-helixtrans-62.7-48.6173.3-164.894.8000110.8Q348 F349 I350 S355 F356Q348-L352 WeakPolarHBondContact O-CB 3.29Å; Q348-L352 PolarHBondContact O-N 3.49Å; F349-L352 HydrophobicContact CD2-CD2 4.39Å; F349-L352 WeakPolarHBondContact O-CB 3.37Å; F349-L352 PolarHBondContact O-N 2.92Å; I350-L352 PolarHBondContact O-N 3.43Å; L352-S355 PolarHBondContact O-N 3.37Å; L352-S355 PolarHBondContact O-OG 3.04Å; L352-F356 HydrophobicContact CD1-CE2 4.47Å; L352-F356 HydrophobicContact CD2-CD2 4.42Å; L352-F356 HydrophobicContact CD2-CE2 3.5Å; L352-F356 VanDerWaalsContact CD2-CE2 3.5Å; L352-F356 HydrophobicContact CD2-CZ 4.16Å; L352-F356 HydrophobicContact CG-CD2 4.19Å; L352-F356 HydrophobicContact CG-CE2 3.5Å; L352-F356 VanDerWaalsContact CG-CE2 3.5Å; L352-F356 HydrophobicContact CG-CZ 4.08Å; L352-F356 WeakPolarHBondContact O-CD2 3.43Å; L352-F356 WeakPolarHBondContact O-CG 3.43Å; L352-F356 PolarHBondContact O-N 3.25Å
353I64.5Low62.8Low75 Ų7593.2 Ų93.239%0.38546%0.464SS..Hα-helixtrans-61.6-46175.9-72.1173.2000111.3F349 I350 S355 F356 T357F349-I353 HydrophobicContact CD1-CD1 3.53Å; F349-I353 HydrophobicContact CD1-CG1 4.26Å; F349-I353 HydrophobicContact CE1-CD1 3.27Å; F349-I353 HydrophobicContact CE1-CG1 4.11Å; F349-I353 HydrophobicContact CG-CD1 4.49Å; F349-I353 HydrophobicContact CZ-CD1 4.04Å; F349-I353 WeakPolarHBondContact O-CB 3.18Å; F349-I353 VanDerWaalsContact O-CG1 3.27Å; F349-I353 WeakPolarHBondContact O-CG1 3.45Å; F349-I353 PolarHBondContact O-N 2.87Å; I350-I353 CarbonylContact O-C 3.5Å; I350-I353 PolarHBondContact O-N 3.17Å; I350-I353 VanDerWaalsContact O-N 3.1Å; I353-S355 VanDerWaalsContact C-N 3.28Å; I353-S355 PolarHBondContact O-N 3.34Å; I353-F356 CarbonylContact O-C 3.54Å; I353-F356 WeakPolarHBondContact O-CA 3.48Å; I353-F356 VanDerWaalsContact O-CB 3.32Å; I353-F356 WeakPolarHBondContact O-CB 3.35Å; I353-F356 PolarHBondContact O-N 3.1Å; I353-T357 PolarHBondContact O-N 3.31Å
354T63.8Low63Low72 Ų7292.3 Ų92.344%0.44246%0.461SS..Hα-helixtrans-65-36.8178.9-54.90000110.5I350 F356 T357 N358I350-T354 WeakPolarHBondContact O-CB 3.31Å; I350-T354 PolarHBondContact O-N 2.98Å; I350-T354 PolarHBondContact O-OG1 3.3Å; T354-F356 PolarHBondContact O-N 3.49Å; T354-T357 WeakPolarHBondContact CA-OG1 3.34Å; T354-T357 PolarHBondContact O-N 2.82Å; T354-T357 PolarHBondContact O-OG1 3.02Å; T354-N358 PolarHBondContact O-N 3.36Å
355S61.5Low63.1Low38 Ų3889 Ų8927%0.26645%0.453SS..Hα-helixtrans-64.5-27.7170.987.80000113D351 L352 I353D351-S355 VanDerWaalsContact O-CB 3.23Å; D351-S355 WeakPolarHBondContact O-CB 3.4Å; D351-S355 PolarHBondContact O-N 2.9Å; L352-S355 PolarHBondContact O-N 3.37Å; L352-S355 PolarHBondContact O-OG 3.04Å; I353-S355 VanDerWaalsContact C-N 3.28Å; I353-S355 PolarHBondContact O-N 3.34Å
356F53.3Low63.2Low52 Ų5289.4 Ų89.423%0.22846%0.457CS..Hα-helixtrans-79.1-21.2174.6-71-54.9000113.5F220 L352 I353 T354F220-F356 HydrophobicContact CB-CB 4.49Å; F220-F356 HydrophobicContact CB-CD1 4.39Å; F220-F356 AromaticContact CD2-CD1 3.86Å; F220-F356 HydrophobicContact CD2-CD1 3.86Å; F220-F356 HydrophobicContact CD2-CE1 4.06Å; F220-F356 HydrophobicContact CD2-CG 4.22Å; L352-F356 HydrophobicContact CD1-CE2 4.47Å; L352-F356 HydrophobicContact CD2-CD2 4.42Å; L352-F356 HydrophobicContact CD2-CE2 3.5Å; L352-F356 VanDerWaalsContact CD2-CE2 3.5Å; L352-F356 HydrophobicContact CD2-CZ 4.16Å; L352-F356 HydrophobicContact CG-CD2 4.19Å; L352-F356 HydrophobicContact CG-CE2 3.5Å; L352-F356 VanDerWaalsContact CG-CE2 3.5Å; L352-F356 HydrophobicContact CG-CZ 4.08Å; L352-F356 WeakPolarHBondContact O-CD2 3.43Å; L352-F356 WeakPolarHBondContact O-CG 3.43Å; L352-F356 PolarHBondContact O-N 3.25Å; I353-F356 CarbonylContact O-C 3.54Å; I353-F356 WeakPolarHBondContact O-CA 3.48Å; I353-F356 VanDerWaalsContact O-CB 3.32Å; I353-F356 WeakPolarHBondContact O-CB 3.35Å; I353-F356 PolarHBondContact O-N 3.1Å; T354-F356 PolarHBondContact O-N 3.49Å
357T56.2Low63.1Low82 Ų8295.1 Ų95.150%0.50347%0.471SS..SBendtrans-92.2-1.1179.255.10000114.2I353 T354I353-T357 PolarHBondContact O-N 3.31Å; T354-T357 WeakPolarHBondContact CA-OG1 3.34Å; T354-T357 PolarHBondContact O-N 2.82Å; T354-T357 PolarHBondContact O-OG1 3.02Å
358N58.5Low62.7Low72 Ų7295.8 Ų95.839%0.38547%0.468SS..  trans-66.6143.7170.8-87.4-50.1000109.9D219 T354D219-N358 WeakPolarHBondContact CB-O 3.47Å; T354-N358 PolarHBondContact O-N 3.36Å
359Y49.9Very low62.3Low153 Ų15395.6 Ų95.660%0.647%0.469SS*.BIsolated β-bridgetrans-98118.8175.9-81.8-90.4000107.9Y218Y218-Y359 HydrophobicContact CD1-CE1 4.28Å; Y218-Y359 HydrophobicContact CE1-CE1 4.12Å; Y218-Y359 AromaticContact CE1-CZ 3.74Å; Y218-Y359 WeakPolarHBondContact CE1-OH 3.12Å
360G56.7Low61.9Low18 Ų1893.6 Ų93.619%0.18647%0.469CS..  trans-140.5172.7179.700000114.1D219D219-G360 PolarHBondContact OD1-N 3.12Å
361Y56.7Low61.6Low162 Ų16295.2 Ų95.264%0.63548%0.475SS*.  trans-88.7124.9171.9-72.3-85.2000110T215 K363T215-Y361 HydrophobicContact CG2-CE1 4.42Å; Y361-K363 PolarHBondContact O-N 3.43Å; Y361-K363 VanDerWaalsContact O-N 3.13Å
362C65.3Low61.1Low42 Ų4292.5 Ų92.528%0.28446%0.46SS..  trans-8282.2176.9-171.10000110.1C222 S364C222-C362 HydrophobicContact CB-CB 3.63Å; C222-C362 WeakPolarHBondContact CB-SG 3.48Å; C222-C362 WeakPolarHBondContact SG-CB 3.21Å; C222-C362 CovalentContact SG-SG 2.02Å; C222-C362 PolarHBondContact SG-SG 2.79Å; C362-S364 PolarHBondContact O-N 3.31Å
363K68Low60.9Low193 Ų19396 Ų9684%0.83948%0.478SS*.  trans-87.595.1172.1-166.9170.6-175.5171.30109.6Y361 D365Y361-K363 PolarHBondContact O-N 3.43Å; Y361-K363 VanDerWaalsContact O-N 3.13Å; K363-D365 PolarHBondContact O-N 2.99Å
364S63.1Low60.6Low67 Ų67101.9 Ų101.947%0.46950%0.497SS..  trans-71110.7171.4-170.40000108.9C362 E366C362-S364 PolarHBondContact O-N 3.31Å; S364-E366 PolarHBondContact O-N 3.05Å
365D65Low60.6Low76 Ų76100.5 Ų100.541%0.40649%0.49SS..  trans-79103.5177.7-151.1-10.5000108.4K363 R367 F368K363-D365 PolarHBondContact O-N 2.99Å; D365-R367 PolarHBondContact O-N 3.09Å; D365-R367 IonicContact OD1-NE 3.76Å; D365-F368 HydrophobicContact CB-CD2 4.09Å; D365-F368 HydrophobicContact CB-CE2 4.11Å; D365-F368 PolarHBondContact O-N 3.48Å
366E65.1Low60.9Low159 Ų159102.9 Ų102.974%0.74351%0.505SS*.THydrogen-bonded Turntrans-59-16.9-174.1-62.6-173.5159.200113.6S364 F368 I369S364-E366 PolarHBondContact O-N 3.05Å; E366-F368 PolarHBondContact O-N 3.47Å; E366-F368 VanDerWaalsContact O-N 3.17Å; E366-I369 PolarHBondContact O-N 3.04Å
367R66.3Low61.5Low186 Ų186102.2 Ų102.270%0.70251%0.508SS*.Hα-helixtrans-61.5-23.2-179.4-57.7-173.8-158.5-154.21.4113.9D365 S370D365-R367 PolarHBondContact O-N 3.09Å; D365-R367 IonicContact OD1-NE 3.76Å; R367-S370 PolarHBondContact O-OG 3.07Å; R367-S370 VanDerWaalsContact O-OG 3.06Å
368F60Low61.8Low65 Ų65102.6 Ų102.629%0.28550%0.503SS..Hα-helixtrans-74.8-28.6-179.1-73.3-78.2000112.9D365 E366 S370 Q371 I372D365-F368 HydrophobicContact CB-CD2 4.09Å; D365-F368 HydrophobicContact CB-CE2 4.11Å; D365-F368 PolarHBondContact O-N 3.48Å; E366-F368 PolarHBondContact O-N 3.47Å; E366-F368 VanDerWaalsContact O-N 3.17Å; F368-S370 VanDerWaalsContact C-N 3.34Å; F368-S370 PolarHBondContact O-N 3.37Å; F368-Q371 PolarHBondContact O-N 2.98Å; F368-I372 WeakPolarHBondContact O-CG1 3.36Å; F368-I372 PolarHBondContact O-N 3.06Å
369I61.3Low62.2Low91 Ų91101.8 Ų101.847%0.46751%0.507SS..Hα-helixtrans-68-37.4-177.9-60177.1000110.6E366E366-I369 PolarHBondContact O-N 3.04Å
370S62.1Low63.2Low75 Ų75101.4 Ų101.452%0.52451%0.509SS..Hα-helixtrans-71.8-29.118058.60000113.3R367 F368 Y374R367-S370 PolarHBondContact O-OG 3.07Å; R367-S370 VanDerWaalsContact O-OG 3.06Å; F368-S370 VanDerWaalsContact C-N 3.34Å; F368-S370 PolarHBondContact O-N 3.37Å; S370-Y374 WeakPolarHBondContact O-CD2 3.46Å
371Q63.5Low63.6Low130 Ų130104.5 Ų104.561%0.60752%0.517SS*.Hα-helixtrans-73.5-30.6177.9-73.4-173.8-8.600113.1F368 L373 Y374F368-Q371 PolarHBondContact O-N 2.98Å; Q371-L373 VanDerWaalsContact C-N 3.27Å; Q371-L373 PolarHBondContact O-N 3.31Å; Q371-Y374 PolarHBondContact O-N 2.94Å; Q371-Y374 VanDerWaalsContact O-N 3.16Å
372I59.3Low64.1Low53 Ų5398.6 Ų98.627%0.27250%0.498SS..Hα-helixtrans-62.8-37.1-177.7-67.1165.8000111.3M282 F368 Y374 S375M282-I372 HydrophobicContact CE-CD1 3.48Å; M282-I372 VanDerWaalsContact CE-CD1 3.48Å; M282-I372 HydrophobicContact CE-CG1 3.4Å; M282-I372 HydrophobicContact CG-CD1 4.45Å; M282-I372 HydrophobicContact SD-CD1 4.04Å; F368-I372 WeakPolarHBondContact O-CG1 3.36Å; F368-I372 PolarHBondContact O-N 3.06Å; I372-Y374 PolarHBondContact O-N 2.99Å; I372-Y374 VanDerWaalsContact O-N 3.12Å; I372-S375 PolarHBondContact O-N 2.83Å
373L57.9Low64.4Low156 Ų156101 Ų10182%0.81751%0.511SS*.THydrogen-bonded Turntrans-64.4-18.3-179-139.479.1000113.2Q371Q371-L373 VanDerWaalsContact C-N 3.27Å; Q371-L373 PolarHBondContact O-N 3.31Å
374Y59.2Low64.6Low198 Ų19896 Ų9678%0.77650%0.497SS*.THydrogen-bonded Turntrans-106.43.1-178.7-72.1-79.7000114S370 Q371 I372S370-Y374 WeakPolarHBondContact O-CD2 3.46Å; Q371-Y374 PolarHBondContact O-N 2.94Å; Q371-Y374 VanDerWaalsContact O-N 3.16Å; I372-Y374 PolarHBondContact O-N 2.99Å; I372-Y374 VanDerWaalsContact O-N 3.12Å
375S63.8Low64.7Low43 Ų4395.4 Ų95.430%0.30149%0.485SS..  trans-71.5125.1-176.6-170.80000111.4I372 A377 F378I372-S375 PolarHBondContact O-N 2.83Å; S375-A377 PolarHBondContact O-N 3.21Å; S375-F378 PolarHBondContact O-N 3.38Å; S375-F378 VanDerWaalsContact O-N 3.12Å
376P67.8Low64.6Low88 Ų8896.1 Ų96.157%0.57149%0.485SS*.Hα-helixtrans-61.3-16.8-178.524.9-34.7000113.2F378 A379 F380P376-F378 PolarHBondContact O-N 3.47Å; P376-A379 WeakPolarHBondContact O-CA 3.48Å; P376-A379 WeakPolarHBondContact O-CB 3.09Å; P376-A379 PolarHBondContact O-N 3.2Å; P376-F380 WeakPolarHBondContact O-CD2 3.26Å; P376-F380 PolarHBondContact O-N 3.42Å
377A65.3Low65Low37 Ų3796.6 Ų96.631%0.30649%0.486SS..Hα-helixtrans-63.7-27177.200000112.9W278 S375 F380 F381W278-A377 HydrophobicContact CH2-CB 3.62Å; W278-A377 HydrophobicContact CZ2-CB 3.46Å; W278-A377 VanDerWaalsContact CZ2-CB 3.46Å; S375-A377 PolarHBondContact O-N 3.21Å; A377-F380 PolarHBondContact O-N 3.46Å; A377-F381 PolarHBondContact O-N 3.23Å
378F63.8Low64.8Low90 Ų9092.8 Ų92.840%0.39549%0.488SS..Hα-helixtrans-64.4-43171.4-160.9-98.2000110.9L238 V241 S375 P376 F381 T382L238-F378 HydrophobicContact CD2-CE2 3.85Å; L238-F378 HydrophobicContact CD2-CZ 4.42Å; V241-F378 HydrophobicContact CB-CZ 4.48Å; V241-F378 HydrophobicContact CG2-CE1 3.89Å; V241-F378 HydrophobicContact CG2-CZ 3.62Å; S375-F378 PolarHBondContact O-N 3.38Å; S375-F378 VanDerWaalsContact O-N 3.12Å; P376-F378 PolarHBondContact O-N 3.47Å; F378-F381 PolarHBondContact O-N 3.17Å; F378-T382 PolarHBondContact O-N 3.38Å; F378-T382 PolarHBondContact O-OG1 3.15Å
379A65.9Low64.5Low56 Ų5696 Ų9646%0.46352%0.519SS..Hα-helixtrans-64.7-39.7175.200000112.1P376 F381 T382 V383P376-A379 WeakPolarHBondContact O-CA 3.48Å; P376-A379 WeakPolarHBondContact O-CB 3.09Å; P376-A379 PolarHBondContact O-N 3.2Å; A379-F381 VanDerWaalsContact C-N 3.31Å; A379-F381 PolarHBondContact O-N 3.43Å; A379-T382 PolarHBondContact O-N 3.33Å; A379-T382 PolarHBondContact O-OG1 3.43Å; A379-V383 VanDerWaalsContact O-CG2 3.29Å; A379-V383 WeakPolarHBondContact O-CG2 3.31Å; A379-V383 PolarHBondContact O-N 2.64Å
380F71.9Confident64.7Low145 Ų14596.3 Ų96.364%0.63652%0.522SS*.Hα-helixtrans-61.4-38.1174.8-87.5-76.6000112.6P376 A377 V383 T384P376-F380 WeakPolarHBondContact O-CD2 3.26Å; P376-F380 PolarHBondContact O-N 3.42Å; A377-F380 PolarHBondContact O-N 3.46Å; F380-V383 PolarHBondContact O-N 3.17Å; F380-T384 WeakPolarHBondContact O-CB 3.18Å; F380-T384 PolarHBondContact O-N 3.4Å; F380-T384 PolarHBondContact O-OG1 3.17Å
381F65.4Low64.8Low83 Ų8397.4 Ų97.436%0.36452%0.522SS..Hα-helixtrans-64.9-44.1177.7-172.3-100.5000111.5L238 L274 A377 F378 A379 V383 T384 Y385L238-F381 HydrophobicContact CD2-CD1 4.46Å; L238-F381 HydrophobicContact CD2-CE1 4.48Å; L274-F381 HydrophobicContact CD1-CD2 4.49Å; L274-F381 HydrophobicContact CD2-CD1 4.02Å; L274-F381 HydrophobicContact CD2-CD2 3.54Å; L274-F381 HydrophobicContact CD2-CE1 3.93Å; L274-F381 HydrophobicContact CD2-CE2 3.46Å; L274-F381 VanDerWaalsContact CD2-CE2 3.46Å; L274-F381 HydrophobicContact CD2-CG 3.83Å; L274-F381 HydrophobicContact CD2-CZ 3.66Å; A377-F381 PolarHBondContact O-N 3.23Å; F378-F381 PolarHBondContact O-N 3.17Å; A379-F381 VanDerWaalsContact C-N 3.31Å; A379-F381 PolarHBondContact O-N 3.43Å; F381-V383 VanDerWaalsContact C-N 3.34Å; F381-V383 PolarHBondContact O-N 3.04Å; F381-T384 PolarHBondContact O-N 3.43Å; F381-Y385 WeakPolarHBondContact O-CB 3.36Å; F381-Y385 PolarHBondContact O-N 3.13Å
382T65.3Low64.9Low37 Ų3795.6 Ų95.623%0.22752%0.517CS..Hα-helixtrans-59.2-46.7174.9-11.90000110.8F378 A379 Y385 F386F378-T382 PolarHBondContact O-N 3.38Å; F378-T382 PolarHBondContact O-OG1 3.15Å; A379-T382 PolarHBondContact O-N 3.33Å; A379-T382 PolarHBondContact O-OG1 3.43Å; T382-Y385 PolarHBondContact O-N 3.44Å; T382-F386 HydrophobicContact CG2-CD2 4.48Å; T382-F386 HydrophobicContact CG2-CE2 4.34Å; T382-F386 WeakPolarHBondContact O-CD2 3.49Å; T382-F386 PolarHBondContact O-N 3.27Å
383V72.6Confident65.2Low94 Ų9498.1 Ų98.157%0.5753%0.531SS*.Hα-helixtrans-64.2-44.1179.9173.30000112.1A379 F380 F381 Y385 F386 H387A379-V383 VanDerWaalsContact O-CG2 3.29Å; A379-V383 WeakPolarHBondContact O-CG2 3.31Å; A379-V383 PolarHBondContact O-N 2.64Å; F380-V383 PolarHBondContact O-N 3.17Å; F381-V383 VanDerWaalsContact C-N 3.34Å; F381-V383 PolarHBondContact O-N 3.04Å; V383-Y385 VanDerWaalsContact C-N 3.31Å; V383-Y385 PolarHBondContact O-N 3.47Å; V383-F386 PolarHBondContact O-N 3.44Å; V383-H387 PolarHBondContact O-N 3.23Å
384T72.7Confident65.7Low88 Ų8894.5 Ų94.554%0.5451%0.513SS..Hα-helixtrans-66.4-37.8-179.2-49.60000111.1F380 F381 F386 H387 S388F380-T384 WeakPolarHBondContact O-CB 3.18Å; F380-T384 PolarHBondContact O-N 3.4Å; F380-T384 PolarHBondContact O-OG1 3.17Å; F381-T384 PolarHBondContact O-N 3.43Å; T384-F386 VanDerWaalsContact C-N 3.34Å; T384-H387 PolarHBondContact O-N 3.4Å; T384-S388 PolarHBondContact O-N 3.49Å
385Y64.4Low66.1Low54 Ų5487.6 Ų87.621%0.21250%0.496CS..Hα-helixtrans-64.2-41.2175.4-170.5-98.4000111.9L267 F381 T382 V383 H387 S388 S389L267-Y385 WeakPolarHBondContact CD1-OH 3.36Å; L267-Y385 HydrophobicContact CD2-CD2 4.36Å; L267-Y385 HydrophobicContact CD2-CE2 3.23Å; L267-Y385 WeakPolarHBondContact CD2-OH 3.36Å; F381-Y385 WeakPolarHBondContact O-CB 3.36Å; F381-Y385 PolarHBondContact O-N 3.13Å; T382-Y385 PolarHBondContact O-N 3.44Å; V383-Y385 VanDerWaalsContact C-N 3.31Å; V383-Y385 PolarHBondContact O-N 3.47Å; Y385-H387 VanDerWaalsContact C-N 3.33Å; Y385-H387 PolarHBondContact O-N 3.43Å; Y385-S388 PolarHBondContact O-N 3.32Å; Y385-S389 PolarHBondContact O-N 3.14Å; Y385-S389 PolarHBondContact O-OG 3.15Å
386F62.8Low66.3Low91 Ų9190.8 Ų90.840%0.39951%0.51SS..Hα-helixtrans-65.3-32.3175-92.2-69.7000113.7L245 W248 T382 V383 T384L245-F386 HydrophobicContact CD2-CE2 3.73Å; L245-F386 HydrophobicContact CD2-CZ 3.66Å; W248-F386 HydrophobicContact CE3-CE1 4.44Å; W248-F386 HydrophobicContact CE3-CZ 4.17Å; W248-F386 AromaticContact CH2-CE1 3.96Å; W248-F386 HydrophobicContact CH2-CE1 3.96Å; W248-F386 HydrophobicContact CH2-CZ 4.12Å; W248-F386 AromaticContact CZ3-CE1 3.54Å; W248-F386 HydrophobicContact CZ3-CE1 3.54Å; W248-F386 AromaticContact CZ3-CZ 3.65Å; W248-F386 HydrophobicContact CZ3-CZ 3.65Å; T382-F386 HydrophobicContact CG2-CD2 4.48Å; T382-F386 HydrophobicContact CG2-CE2 4.34Å; T382-F386 WeakPolarHBondContact O-CD2 3.49Å; T382-F386 PolarHBondContact O-N 3.27Å; V383-F386 PolarHBondContact O-N 3.44Å; T384-F386 VanDerWaalsContact C-N 3.34Å
387H73.2Confident66.2Low168 Ų16891 Ų9178%0.77851%0.505SS*.Hα-helixtrans-80.9-19.4179.2-164.5-69.3000113.1V383 T384 Y385V383-H387 PolarHBondContact O-N 3.23Å; T384-H387 PolarHBondContact O-N 3.4Å; Y385-H387 VanDerWaalsContact C-N 3.33Å; Y385-H387 PolarHBondContact O-N 3.43Å
388S62.8Low66.2Low107 Ų10795.5 Ų95.575%0.74852%0.522SS*.Hα-helixtrans-95.6-7-178.2-1710000114.2T384 Y385T384-S388 PolarHBondContact O-N 3.49Å; Y385-S388 PolarHBondContact O-N 3.32Å
389S54.2Low66.5Low133 Ų13396 Ų9693%0.9353%0.533SS*.  trans-101.20172.8-59.50000110Y385Y385-S389 PolarHBondContact O-N 3.14Å; Y385-S389 PolarHBondContact O-OG 3.15Å

Retrieved 389 of 389 residues in 782.4 ms (Link to these results)

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