A0A087XNZ0_POEFO Loading...

Ribosomal RNA processing 1B

AlphaFold DB , UniProt , Accession A0A087XNZ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 779 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
1S39.3Very low64.9Low173 Ų17389 Ų89100%1.2153%0.533SS*.  0104.80-175.60000108.4
2M37.6Very low66.8Low187 Ų18782.6 Ų82.692%0.92149%0.494SS*.  trans-82.6114.4164.6-78.7-175.1171.600107T4M2-T4 PolarHBondContact O-N 3.1Å; M2-T4 VanDerWaalsContact O-N 3.12Å
3A42.8Very low68.6Low88 Ų8876.2 Ų76.273%0.72746%0.456SS*.  trans-65.8110.6162.200000106.7V5A3-V5 PolarHBondContact O-N 3.45Å; A3-V5 VanDerWaalsContact O-N 3.15Å
4T51.2Low70.1Confident116 Ų11673.9 Ų73.971%0.71244%0.438SS*.  trans-54.7121.5171.3460000107.8M2 Q6M2-T4 PolarHBondContact O-N 3.1Å; M2-T4 VanDerWaalsContact O-N 3.12Å; T4-Q6 PolarHBondContact O-N 3.17Å
5V55.3Low71.3Confident136 Ų13676.4 Ų76.482%0.82444%0.437SS*.  trans-70.385.5178.9-178.40000107.2A3 D7A3-V5 PolarHBondContact O-N 3.45Å; A3-V5 VanDerWaalsContact O-N 3.15Å; V5-D7 PolarHBondContact O-N 3.33Å
6Q66.4Low72.4Confident65 Ų6571.6 Ų71.630%0.30441%0.409SS..  trans-59.8133-177.9-75.3-163.6-30.700109.8T4 I10 Q11T4-Q6 PolarHBondContact O-N 3.17Å; Q6-I10 HydrophobicContact CB-CG2 4.42Å; Q6-Q11 HydrophobicContact CB-CG 4.17Å; Q6-Q11 PolarHBondContact O-NE2 3.06Å
7D81.1Confident73.4Confident59 Ų5967.4 Ų67.432%0.31639%0.385SS..  trans-43.6139.1178.2-46.2-19.1000110.9V5 E9 I10 Q11 K53V5-D7 PolarHBondContact O-N 3.33Å; D7-E9 PolarHBondContact O-N 3.04Å; D7-E9 VanDerWaalsContact O-N 3.11Å; D7-I10 HydrophobicContact CB-CB 4.42Å; D7-I10 HydrophobicContact CB-CD1 3.99Å; D7-I10 HydrophobicContact CB-CG1 4Å; D7-I10 WeakPolarHBondContact O-CB 3.45Å; D7-I10 PolarHBondContact O-N 2.82Å; D7-I10 WeakPolarHBondContact OD2-CD1 3.31Å; D7-Q11 PolarHBondContact O-N 3.45Å; D7-Q11 VanDerWaalsContact O-N 3.07Å; D7-K53 IonicContact OD2-NZ 3.42Å; D7-K53 PolarHBondContact OD2-NZ 3.46Å
8P81.9Confident74.2Confident62 Ų6265.2 Ų65.240%0.40338%0.375SS..Hα-helixtrans-57.5-29.4179.922.3-30.7000112.2L12 Y34P8-L12 WeakPolarHBondContact O-CB 3.3Å; P8-L12 VanDerWaalsContact O-CG 3.23Å; P8-L12 WeakPolarHBondContact O-CG 3.41Å; P8-L12 PolarHBondContact O-N 3.07Å; P8-Y34 HydrophobicContact CB-CE2 4.35Å; P8-Y34 HydrophobicContact CG-CE2 4.44Å
9E85.2Confident74.8Confident3 Ų368.2 Ų68.21%0.01439%0.389CS..Hα-helixtrans-58.7-48.1170.4-67.668-151.100112.1D7 L12 A13 Y34 R38 E50 K53 L54D7-E9 PolarHBondContact O-N 3.04Å; D7-E9 VanDerWaalsContact O-N 3.11Å; E9-L12 PolarHBondContact O-N 2.86Å; E9-A13 VanDerWaalsContact O-CB 3.27Å; E9-A13 WeakPolarHBondContact O-CB 3.44Å; E9-A13 PolarHBondContact O-N 3.32Å; E9-Y34 WeakPolarHBondContact OE1-CE1 3.32Å; E9-Y34 PolarHBondContact OE1-OH 3.19Å; E9-R38 IonicContact OE1-CZ 3.28Å; E9-R38 IonicContact OE1-NH1 2.77Å; E9-R38 PolarHBondContact OE1-NH1 3.31Å; E9-E50 HydrophobicContact CG-CB 3.95Å; E9-E50 HydrophobicContact CG-CG 4.16Å; E9-K53 HydrophobicContact CB-CB 4.45Å; E9-L54 HydrophobicContact CB-CD2 4.03Å; E9-L54 HydrophobicContact CB-CG 4.04Å; E9-L54 HydrophobicContact CG-CD1 4.09Å; E9-L54 HydrophobicContact CG-CD2 4.24Å; E9-L54 HydrophobicContact CG-CG 3.94Å
10I85.8Confident75.4Confident22 Ų2270.5 Ų70.511%0.11340%0.396CS..Hα-helixtrans-66.2-44.7-179.4-63.2174.4000109.5Q6 D7 L12 A13 Q14 K53 F779Q6-I10 HydrophobicContact CB-CG2 4.42Å; D7-I10 HydrophobicContact CB-CB 4.42Å; D7-I10 HydrophobicContact CB-CD1 3.99Å; D7-I10 HydrophobicContact CB-CG1 4Å; D7-I10 WeakPolarHBondContact O-CB 3.45Å; D7-I10 PolarHBondContact O-N 2.82Å; D7-I10 WeakPolarHBondContact OD2-CD1 3.31Å; I10-L12 VanDerWaalsContact C-N 3.28Å; I10-L12 PolarHBondContact O-N 3.22Å; I10-A13 PolarHBondContact O-N 3.22Å; I10-Q14 HydrophobicContact CG2-CG 4.44Å; I10-Q14 WeakPolarHBondContact O-CB 3.46Å; I10-Q14 WeakPolarHBondContact O-CG 3.48Å; I10-Q14 PolarHBondContact O-N 2.96Å; I10-K53 HydrophobicContact CD1-CD 4.31Å; I10-K53 HydrophobicContact CG1-CD 4Å; I10-K53 HydrophobicContact CG1-CG 4.49Å; I10-F779 HydrophobicContact CG2-CB 4.36Å
11Q86.9Confident75.8Confident68 Ų6874.5 Ų74.532%0.31841%0.405SS..Hα-helixtrans-64.4-30.2175.8-63.2-17340.200113.4Q6 D7 R15Q6-Q11 HydrophobicContact CB-CG 4.17Å; Q6-Q11 PolarHBondContact O-NE2 3.06Å; D7-Q11 PolarHBondContact O-N 3.45Å; D7-Q11 VanDerWaalsContact O-N 3.07Å; Q11-R15 VanDerWaalsContact O-CD 3.25Å; Q11-R15 WeakPolarHBondContact O-CD 3.41Å; Q11-R15 WeakPolarHBondContact O-CG 3.4Å
12L88.1Confident78.1Confident12 Ų1270.1 Ų70.16%0.06337%0.371CS..Hα-helixtrans-74.7-44.7172.4-76.1168.2000110.6P8 E9 I10 R15 L16 K30 L31 Y34 L54P8-L12 WeakPolarHBondContact O-CB 3.3Å; P8-L12 VanDerWaalsContact O-CG 3.23Å; P8-L12 WeakPolarHBondContact O-CG 3.41Å; P8-L12 PolarHBondContact O-N 3.07Å; E9-L12 PolarHBondContact O-N 2.86Å; I10-L12 VanDerWaalsContact C-N 3.28Å; I10-L12 PolarHBondContact O-N 3.22Å; L12-R15 CarbonylContact O-C 3.54Å; L12-R15 PolarHBondContact O-N 3.04Å; L12-R15 VanDerWaalsContact O-N 3.16Å; L12-L16 WeakPolarHBondContact O-CB 3.38Å; L12-L16 WeakPolarHBondContact O-CD1 3.36Å; L12-L16 VanDerWaalsContact O-CG 3.28Å; L12-L16 WeakPolarHBondContact O-CG 3.44Å; L12-L16 PolarHBondContact O-N 3.11Å; L12-K30 HydrophobicContact CD2-CB 4.07Å; L12-L31 HydrophobicContact CD1-CD1 4.21Å; L12-Y34 HydrophobicContact CD1-CD1 3.86Å; L12-Y34 HydrophobicContact CD1-CE1 4.49Å; L12-Y34 HydrophobicContact CD1-CG 3.9Å; L12-L54 HydrophobicContact CB-CD2 4.22Å
13A89.6Confident80.5Confident0 Ų063.7 Ų63.70%034%0.342CS..Hα-helixtrans-61.7-45.4179.600000112.6E9 I10 R15 L16 A17 K53 F779E9-A13 VanDerWaalsContact O-CB 3.27Å; E9-A13 WeakPolarHBondContact O-CB 3.44Å; E9-A13 PolarHBondContact O-N 3.32Å; I10-A13 PolarHBondContact O-N 3.22Å; A13-R15 VanDerWaalsContact C-N 3.32Å; A13-R15 PolarHBondContact O-N 3.15Å; A13-L16 CarbonylContact O-C 3.55Å; A13-L16 WeakPolarHBondContact O-CB 3.23Å; A13-L16 PolarHBondContact O-N 3.48Å; A13-A17 WeakPolarHBondContact O-CB 3.35Å; A13-A17 PolarHBondContact O-N 3.24Å; A13-K53 WeakPolarHBondContact CB-O 3.38Å; A13-F779 HydrophobicContact CB-CD1 3.96Å; A13-F779 HydrophobicContact CB-CE1 3.62Å; A13-F779 HydrophobicContact CB-CZ 4.26Å
14Q89.9Confident82.6Confident44 Ų4460.3 Ų60.321%0.20631%0.311CS..Hα-helixtrans-59.4-39.4172.6-73.4166.7-3.600112.5I10 A17 S18 A776 F779I10-Q14 HydrophobicContact CG2-CG 4.44Å; I10-Q14 WeakPolarHBondContact O-CB 3.46Å; I10-Q14 WeakPolarHBondContact O-CG 3.48Å; I10-Q14 PolarHBondContact O-N 2.96Å; Q14-A17 PolarHBondContact O-N 3.31Å; Q14-S18 PolarHBondContact O-N 3.46Å; Q14-A776 HydrophobicContact CB-CB 4.27Å; Q14-A776 HydrophobicContact CG-CB 4.49Å; Q14-F779 HydrophobicContact CG-CB 3.58Å; Q14-F779 HydrophobicContact CG-CD2 4.39Å; Q14-F779 HydrophobicContact CG-CG 4.13Å; Q14-F779 PolarHBondContact NE2-O 2.93Å
15R88.6Confident84.2Confident111 Ų11157.4 Ų57.442%0.41929%0.293SS..Hα-helixtrans-72.9-29.3177.4-70.9172.4-178.4134.12.2112.6Q11 L12 A13 S18 V23 A27Q11-R15 VanDerWaalsContact O-CD 3.25Å; Q11-R15 WeakPolarHBondContact O-CD 3.41Å; Q11-R15 WeakPolarHBondContact O-CG 3.4Å; L12-R15 CarbonylContact O-C 3.54Å; L12-R15 PolarHBondContact O-N 3.04Å; L12-R15 VanDerWaalsContact O-N 3.16Å; A13-R15 VanDerWaalsContact C-N 3.32Å; A13-R15 PolarHBondContact O-N 3.15Å; R15-S18 WeakPolarHBondContact O-CB 3.44Å; R15-V23 HydrophobicContact CB-CG1 4.33Å; R15-A27 HydrophobicContact CB-CB 3.84Å
16L88.2Confident85.8Confident0 Ų057.9 Ų57.90%028%0.284CS..Hα-helixtrans-74.1-34.1171-73.1162.4000111.9L12 A13 S18 R24 A27 M28 L31 G57 L58 C61L12-L16 WeakPolarHBondContact O-CB 3.38Å; L12-L16 WeakPolarHBondContact O-CD1 3.36Å; L12-L16 VanDerWaalsContact O-CG 3.28Å; L12-L16 WeakPolarHBondContact O-CG 3.44Å; L12-L16 PolarHBondContact O-N 3.11Å; A13-L16 CarbonylContact O-C 3.55Å; A13-L16 WeakPolarHBondContact O-CB 3.23Å; A13-L16 PolarHBondContact O-N 3.48Å; L16-S18 PolarHBondContact O-N 3.09Å; L16-R24 WeakPolarHBondContact O-CD 3.25Å; L16-R24 VanDerWaalsContact O-CG 3.23Å; L16-R24 WeakPolarHBondContact O-CG 3.45Å; L16-A27 HydrophobicContact CD2-CB 3.86Å; L16-A27 HydrophobicContact CG-CB 3.9Å; L16-M28 HydrophobicContact CD2-CB 4.31Å; L16-M28 HydrophobicContact CD2-CE 4.1Å; L16-M28 HydrophobicContact CD2-SD 4.33Å; L16-L31 HydrophobicContact CD1-CD2 3.9Å; L16-G57 WeakPolarHBondContact CB-O 3.49Å; L16-L58 HydrophobicContact CD1-CD2 4.23Å; L16-C61 HydrophobicContact CB-CB 4.12Å; L16-C61 HydrophobicContact CD2-CB 4.46Å; L16-C61 WeakPolarHBondContact O-CA 3.37Å; L16-C61 VanDerWaalsContact O-CB 3.27Å; L16-C61 WeakPolarHBondContact O-CB 3.43Å
17A89.8Confident87Confident0 Ų055 Ų550%027%0.271CS..SBendtrans-79.13.1173.800000114.2A13 Q14 A775 F779A13-A17 WeakPolarHBondContact O-CB 3.35Å; A13-A17 PolarHBondContact O-N 3.24Å; Q14-A17 PolarHBondContact O-N 3.31Å; A17-A775 HydrophobicContact CB-CB 4.01Å; A17-F779 HydrophobicContact CB-CE2 3.71Å; A17-F779 HydrophobicContact CB-CZ 4.3Å
18S88.1Confident87.3Confident28 Ų2852.4 Ų52.420%0.19626%0.257CS..  trans-69.2143.7178.8-174.90000112.2Q14 R15 L16 E20 R24Q14-S18 PolarHBondContact O-N 3.46Å; R15-S18 WeakPolarHBondContact O-CB 3.44Å; L16-S18 PolarHBondContact O-N 3.09Å; S18-E20 PolarHBondContact O-N 2.88Å; S18-E20 PolarHBondContact OG-N 3.01Å; S18-R24 WeakPolarHBondContact O-CD 3.14Å; S18-R24 WeakPolarHBondContact O-CG 3.39Å; S18-R24 PolarHBondContact O-NE 3.12Å; S18-R24 VanDerWaalsContact O-NE 3.15Å
19N86.3Confident87.6Confident122 Ų12256.9 Ų56.965%0.65227%0.27SS*.SBendtrans-62.1-35.6174.8-163.41.3000111.5R21N19-R21 PolarHBondContact O-N 3.32Å
20E86Confident87.8Confident114 Ų11463 Ų6353%0.53330%0.297SS..  trans-67.8111.8-175.1-78.8-58.9149.100113.6S18 T22 V23 R24S18-E20 PolarHBondContact O-N 2.88Å; S18-E20 PolarHBondContact OG-N 3.01Å; E20-T22 PolarHBondContact O-N 3.47Å; E20-T22 VanDerWaalsContact O-N 3.16Å; E20-V23 HydrophobicContact CB-CB 3.85Å; E20-V23 HydrophobicContact CB-CG2 3.59Å; E20-V23 HydrophobicContact CG-CG2 4.35Å; E20-V23 WeakPolarHBondContact O-CA 3.44Å; E20-V23 PolarHBondContact O-N 3.33Å; E20-R24 PolarHBondContact O-N 3.15Å
21R84.4Confident88Confident154 Ų15461.9 Ų61.958%0.58129%0.292SS*.Hα-helixtrans-54.9-36.4177-171.7-175.7-175.7-151.92.9112.2N19 V23 T25N19-R21 PolarHBondContact O-N 3.32Å; R21-V23 VanDerWaalsContact C-N 3.33Å; R21-T25 HydrophobicContact CG-CG2 4.38Å; R21-T25 WeakPolarHBondContact O-CB 3.08Å; R21-T25 WeakPolarHBondContact O-CG2 3.25Å; R21-T25 PolarHBondContact O-N 3.11Å; R21-T25 PolarHBondContact O-OG1 3.16Å
22T85.9Confident88.1Confident81 Ų8162.3 Ų62.350%0.49729%0.29SS..Hα-helixtrans-70.4-28.4178.466.40000112.7E20 T25 K26E20-T22 PolarHBondContact O-N 3.47Å; E20-T22 VanDerWaalsContact O-N 3.16Å; T22-T25 PolarHBondContact O-OG1 2.79Å; T22-K26 WeakPolarHBondContact O-CB 3.03Å; T22-K26 VanDerWaalsContact O-CD 3.31Å; T22-K26 WeakPolarHBondContact O-CD 3.34Å; T22-K26 WeakPolarHBondContact O-CG 3.1Å; T22-K26 PolarHBondContact O-N 2.85Å
23V88Confident88.1Confident52 Ų5269.5 Ų69.532%0.31532%0.321SS..Hα-helixtrans-78.5-48.1173.6179.40000109.6R15 E20 R21 T25 K26 A27R15-V23 HydrophobicContact CB-CG1 4.33Å; E20-V23 HydrophobicContact CB-CB 3.85Å; E20-V23 HydrophobicContact CB-CG2 3.59Å; E20-V23 HydrophobicContact CG-CG2 4.35Å; E20-V23 WeakPolarHBondContact O-CA 3.44Å; E20-V23 PolarHBondContact O-N 3.33Å; R21-V23 VanDerWaalsContact C-N 3.33Å; V23-T25 PolarHBondContact O-N 2.72Å; V23-K26 PolarHBondContact O-N 3.07Å; V23-A27 WeakPolarHBondContact O-CB 3.35Å; V23-A27 PolarHBondContact O-N 3.19Å
24R86.9Confident88Confident17 Ų1772.3 Ų72.36%0.06433%0.332CS..Hα-helixtrans-55.8-47.8177.1-68.8-162.4-84125.5-2.6112.7L16 S18 E20 K26 A27 M28 C61 M64L16-R24 WeakPolarHBondContact O-CD 3.25Å; L16-R24 VanDerWaalsContact O-CG 3.23Å; L16-R24 WeakPolarHBondContact O-CG 3.45Å; S18-R24 WeakPolarHBondContact O-CD 3.14Å; S18-R24 WeakPolarHBondContact O-CG 3.39Å; S18-R24 PolarHBondContact O-NE 3.12Å; S18-R24 VanDerWaalsContact O-NE 3.15Å; E20-R24 PolarHBondContact O-N 3.15Å; R24-K26 PolarHBondContact O-N 3.17Å; R24-A27 WeakPolarHBondContact O-CB 3.48Å; R24-A27 PolarHBondContact O-N 3.06Å; R24-M28 PolarHBondContact O-N 3.24Å; R24-C61 PolarHBondContact NH1-O 3.08Å; R24-M64 PolarHBondContact NH2-O 3.35Å
25T86.1Confident87.9Confident56 Ų5670.2 Ų70.234%0.34432%0.322SS..Hα-helixtrans-66.2-37.2178.648.40000113R21 T22 V23 K29R21-T25 HydrophobicContact CG-CG2 4.38Å; R21-T25 WeakPolarHBondContact O-CB 3.08Å; R21-T25 WeakPolarHBondContact O-CG2 3.25Å; R21-T25 PolarHBondContact O-N 3.11Å; R21-T25 PolarHBondContact O-OG1 3.16Å; T22-T25 PolarHBondContact O-OG1 2.79Å; V23-T25 PolarHBondContact O-N 2.72Å; T25-K29 WeakPolarHBondContact O-CG 3.33Å; T25-K29 PolarHBondContact O-N 3.37Å; T25-K29 VanDerWaalsContact O-N 3.15Å
26K88.8Confident87.7Confident145 Ų14567.3 Ų67.363%0.6332%0.319SS*.Hα-helixtrans-66.9-36.8171.4-74172.9-174.6175.60111.8T22 V23 R24 K30T22-K26 WeakPolarHBondContact O-CB 3.03Å; T22-K26 VanDerWaalsContact O-CD 3.31Å; T22-K26 WeakPolarHBondContact O-CD 3.34Å; T22-K26 WeakPolarHBondContact O-CG 3.1Å; T22-K26 PolarHBondContact O-N 2.85Å; V23-K26 PolarHBondContact O-N 3.07Å; R24-K26 PolarHBondContact O-N 3.17Å; K26-K30 WeakPolarHBondContact O-CG 3.27Å; K26-K30 PolarHBondContact O-N 3.29Å
27A90.8Very high87.5Confident4 Ų470.6 Ų70.63%0.03335%0.346CS..Hα-helixtrans-67.5-42.3176.500000111.5R15 L16 V23 R24 K29 K30 L31R15-A27 HydrophobicContact CB-CB 3.84Å; L16-A27 HydrophobicContact CD2-CB 3.86Å; L16-A27 HydrophobicContact CG-CB 3.9Å; V23-A27 WeakPolarHBondContact O-CB 3.35Å; V23-A27 PolarHBondContact O-N 3.19Å; R24-A27 WeakPolarHBondContact O-CB 3.48Å; R24-A27 PolarHBondContact O-N 3.06Å; A27-K29 PolarHBondContact O-N 3.45Å; A27-K30 CarbonylContact O-C 3.6Å; A27-K30 WeakPolarHBondContact O-CB 3.23Å; A27-K30 PolarHBondContact O-N 3.33Å; A27-K30 VanDerWaalsContact O-N 3.13Å; A27-L31 WeakPolarHBondContact O-CB 3.07Å; A27-L31 PolarHBondContact O-N 3.33Å
28M87.6Confident87.1Confident5 Ų572.9 Ų72.93%0.02535%0.354CS..Hα-helixtrans-60.7-45.4174.9-166.464.380.100112.1L16 R24 K30 L31 R32 L58 L76 I80 L83L16-M28 HydrophobicContact CD2-CB 4.31Å; L16-M28 HydrophobicContact CD2-CE 4.1Å; L16-M28 HydrophobicContact CD2-SD 4.33Å; R24-M28 PolarHBondContact O-N 3.24Å; M28-K30 VanDerWaalsContact C-N 3.27Å; M28-K30 PolarHBondContact O-N 2.99Å; M28-L31 PolarHBondContact O-N 3.42Å; M28-L31 HydrophobicContact SD-CD2 4.39Å; M28-R32 PolarHBondContact O-N 2.72Å; M28-L58 HydrophobicContact CE-CD2 3.78Å; M28-L58 HydrophobicContact SD-CD2 4Å; M28-L76 HydrophobicContact CE-CD1 3.75Å; M28-I80 HydrophobicContact CE-CD1 4.18Å; M28-I80 HydrophobicContact CE-CG1 3.56Å; M28-L83 HydrophobicContact SD-CD1 4.1Å
29K89.4Confident86.5Confident156 Ų15671.7 Ų71.768%0.67835%0.346SS*.Hα-helixtrans-64.9-29174.9-70-173.3177.6-1690113T25 A27T25-K29 WeakPolarHBondContact O-CG 3.33Å; T25-K29 PolarHBondContact O-N 3.37Å; T25-K29 VanDerWaalsContact O-N 3.15Å; A27-K29 PolarHBondContact O-N 3.45Å
30K89.8Confident85.7Confident131 Ų13172 Ų7257%0.5735%0.347SS*.Hα-helixtrans-74.7-41.5170.2-77.1-173.6174.8-1670112.3L12 K26 A27 M28 K33 Y34L12-K30 HydrophobicContact CD2-CB 4.07Å; K26-K30 WeakPolarHBondContact O-CG 3.27Å; K26-K30 PolarHBondContact O-N 3.29Å; A27-K30 CarbonylContact O-C 3.6Å; A27-K30 WeakPolarHBondContact O-CB 3.23Å; A27-K30 PolarHBondContact O-N 3.33Å; A27-K30 VanDerWaalsContact O-N 3.13Å; M28-K30 VanDerWaalsContact C-N 3.27Å; M28-K30 PolarHBondContact O-N 2.99Å; K30-K33 PolarHBondContact O-N 3.21Å; K30-Y34 WeakPolarHBondContact O-CB 3.43Å; K30-Y34 PolarHBondContact O-N 2.9Å
31L89.3Confident84.8Confident0 Ų075 Ų750%035%0.354CS..Hα-helixtrans-60.6-48.1179.1178.264.8000111.2L12 L16 A27 M28 K33 Y34 I35 L54 L58 L83L12-L31 HydrophobicContact CD1-CD1 4.21Å; L16-L31 HydrophobicContact CD1-CD2 3.9Å; A27-L31 WeakPolarHBondContact O-CB 3.07Å; A27-L31 PolarHBondContact O-N 3.33Å; M28-L31 PolarHBondContact O-N 3.42Å; M28-L31 HydrophobicContact SD-CD2 4.39Å; L31-K33 VanDerWaalsContact C-N 3.34Å; L31-K33 PolarHBondContact O-N 2.93Å; L31-Y34 WeakPolarHBondContact O-CB 3.33Å; L31-Y34 PolarHBondContact O-N 3.16Å; L31-I35 HydrophobicContact CD1-CD1 3.91Å; L31-I35 HydrophobicContact CD1-CG1 4.04Å; L31-I35 HydrophobicContact CD2-CD1 4.34Å; L31-I35 HydrophobicContact CG-CD1 3.8Å; L31-I35 HydrophobicContact CG-CG1 4.32Å; L31-I35 WeakPolarHBondContact O-CG1 3.2Å; L31-I35 PolarHBondContact O-N 3.42Å; L31-L54 HydrophobicContact CD1-CD1 4.1Å; L31-L54 HydrophobicContact CD1-CD2 3.69Å; L31-L54 HydrophobicContact CD1-CG 4.47Å; L31-L58 HydrophobicContact CD2-CD1 4.37Å; L31-L58 HydrophobicContact CD2-CD2 3.69Å; L31-L58 HydrophobicContact CD2-CG 4.27Å; L31-L83 HydrophobicContact CD2-CD1 3.8Å
32R88.8Confident83.2Confident76 Ų7672.5 Ų72.529%0.28737%0.366SS..Hα-helixtrans-55.8-48.2176.8-172.7176.2-65.8-89.7-0.9111.8M28 Y34 I35 S36 Q79 T82 L83 S86M28-R32 PolarHBondContact O-N 2.72Å; R32-Y34 VanDerWaalsContact C-N 3.32Å; R32-Y34 PolarHBondContact O-N 3.41Å; R32-I35 PolarHBondContact O-N 3.1Å; R32-S36 PolarHBondContact O-N 3.2Å; R32-S36 PolarHBondContact O-OG 3.29Å; R32-Q79 PolarHBondContact NH2-O 3.29Å; R32-T82 PolarHBondContact NH1-O 2.98Å; R32-T82 PolarHBondContact NH2-OG1 3.46Å; R32-L83 HydrophobicContact CB-CD2 3.86Å; R32-L83 HydrophobicContact CG-CD2 4.12Å; R32-S86 PolarHBondContact NH1-OG 3.37Å
33K87.9Confident81.2Confident163 Ų16373.7 Ų73.771%0.70938%0.384SS*.Hα-helixtrans-62.8-36.6175.4-71-168.4175.2-158.80113K30 L31 A37K30-K33 PolarHBondContact O-N 3.21Å; L31-K33 VanDerWaalsContact C-N 3.34Å; L31-K33 PolarHBondContact O-N 2.93Å; K33-A37 WeakPolarHBondContact O-CB 3.26Å; K33-A37 PolarHBondContact O-N 2.88Å
34Y87.6Confident79.5Confident59 Ų5972 Ų7223%0.23138%0.377CS..Hα-helixtrans-67-46.2177.4-177.3-101.5000111.6P8 E9 L12 K30 L31 R32 A37 R38 F46P8-Y34 HydrophobicContact CB-CE2 4.35Å; P8-Y34 HydrophobicContact CG-CE2 4.44Å; E9-Y34 WeakPolarHBondContact OE1-CE1 3.32Å; E9-Y34 PolarHBondContact OE1-OH 3.19Å; L12-Y34 HydrophobicContact CD1-CD1 3.86Å; L12-Y34 HydrophobicContact CD1-CE1 4.49Å; L12-Y34 HydrophobicContact CD1-CG 3.9Å; K30-Y34 WeakPolarHBondContact O-CB 3.43Å; K30-Y34 PolarHBondContact O-N 2.9Å; L31-Y34 WeakPolarHBondContact O-CB 3.33Å; L31-Y34 PolarHBondContact O-N 3.16Å; R32-Y34 VanDerWaalsContact C-N 3.32Å; R32-Y34 PolarHBondContact O-N 3.41Å; Y34-A37 PolarHBondContact O-N 3.19Å; Y34-R38 VanDerWaalsContact O-CB 3.29Å; Y34-R38 WeakPolarHBondContact O-CB 3.31Å; Y34-R38 PolarHBondContact O-N 3.13Å; Y34-R38 WeakPolarHBondContact OH-CD 3.19Å; Y34-R38 PolarHBondContact OH-NH1 3.32Å; Y34-F46 HydrophobicContact CD1-CE1 4.39Å; Y34-F46 HydrophobicContact CD1-CZ 4.1Å; Y34-F46 AromaticContact CE1-CE1 3.86Å; Y34-F46 HydrophobicContact CE1-CE1 3.86Å; Y34-F46 AromaticContact CE1-CZ 3.88Å; Y34-F46 HydrophobicContact CE1-CZ 3.88Å
35I86.7Confident78.5Confident1 Ų172.6 Ų72.61%0.00539%0.388CS..Hα-helixtrans-59.1-51.5174.7-68.2170.3000110.3L31 R32 A37 R38 S39 F46 L83 F87L31-I35 HydrophobicContact CD1-CD1 3.91Å; L31-I35 HydrophobicContact CD1-CG1 4.04Å; L31-I35 HydrophobicContact CD2-CD1 4.34Å; L31-I35 HydrophobicContact CG-CD1 3.8Å; L31-I35 HydrophobicContact CG-CG1 4.32Å; L31-I35 WeakPolarHBondContact O-CG1 3.2Å; L31-I35 PolarHBondContact O-N 3.42Å; R32-I35 PolarHBondContact O-N 3.1Å; I35-A37 PolarHBondContact O-N 2.83Å; I35-R38 PolarHBondContact O-N 3.37Å; I35-S39 VanDerWaalsContact O-CB 3.3Å; I35-S39 WeakPolarHBondContact O-CB 3.43Å; I35-S39 PolarHBondContact O-N 2.87Å; I35-S39 PolarHBondContact O-OG 3.05Å; I35-S39 VanDerWaalsContact O-OG 3.13Å; I35-F46 HydrophobicContact CG1-CE2 4.46Å; I35-F46 HydrophobicContact CG1-CZ 4.04Å; I35-F46 HydrophobicContact CG2-CE2 4.5Å; I35-L83 HydrophobicContact CD1-CB 4.38Å; I35-L83 HydrophobicContact CD1-CD1 4.43Å; I35-L83 HydrophobicContact CD1-CD2 4.42Å; I35-F87 HydrophobicContact CD1-CE2 4.28Å; I35-F87 HydrophobicContact CD1-CZ 4.05Å; I35-F87 HydrophobicContact CG1-CZ 4.21Å; I35-F87 HydrophobicContact CG2-CD1 3.89Å; I35-F87 HydrophobicContact CG2-CD2 3.9Å; I35-F87 HydrophobicContact CG2-CE1 3.66Å; I35-F87 HydrophobicContact CG2-CE2 3.67Å; I35-F87 HydrophobicContact CG2-CG 4.01Å; I35-F87 HydrophobicContact CG2-CZ 3.54Å
36S84.8Confident78Confident49 Ų4970.5 Ų70.534%0.34338%0.375SS..Hα-helixtrans-62.6-37.5179.3-56.40000113.6R32 S39 L40R32-S36 PolarHBondContact O-N 3.2Å; R32-S36 PolarHBondContact O-OG 3.29Å; S36-S39 PolarHBondContact O-OG 2.82Å; S36-L40 PolarHBondContact O-N 3.07Å
37A83.8Confident77.9Confident69 Ų6967 Ų6757%0.5737%0.366SS*.Hα-helixtrans-74.3-30.2178.500000113.1K33 Y34 I35K33-A37 WeakPolarHBondContact O-CB 3.26Å; K33-A37 PolarHBondContact O-N 2.88Å; Y34-A37 PolarHBondContact O-N 3.19Å; I35-A37 PolarHBondContact O-N 2.83Å
38R81.3Confident77.5Confident48 Ų4868.1 Ų68.118%0.18138%0.377CS..Hα-helixtrans-83.6-35.9176.5-174.1164.3176.7171.5-2.2112E9 Y34 I35 L40 R41 G44 G45 F46 E50E9-R38 IonicContact OE1-CZ 3.28Å; E9-R38 IonicContact OE1-NH1 2.77Å; E9-R38 PolarHBondContact OE1-NH1 3.31Å; Y34-R38 VanDerWaalsContact O-CB 3.29Å; Y34-R38 WeakPolarHBondContact O-CB 3.31Å; Y34-R38 PolarHBondContact O-N 3.13Å; Y34-R38 WeakPolarHBondContact OH-CD 3.19Å; Y34-R38 PolarHBondContact OH-NH1 3.32Å; I35-R38 PolarHBondContact O-N 3.37Å; R38-L40 VanDerWaalsContact C-N 3.33Å; R38-L40 PolarHBondContact O-N 3.43Å; R38-R41 PolarHBondContact O-N 3.43Å; R38-R41 VanDerWaalsContact O-N 3.12Å; R38-G44 WeakPolarHBondContact CG-O 3.42Å; R38-G44 PolarHBondContact NE-O 3.25Å; R38-G45 PolarHBondContact NE-O 2.81Å; R38-G45 PolarHBondContact NH2-O 2.81Å; R38-F46 HydrophobicContact CB-CE2 3.8Å; R38-F46 HydrophobicContact CB-CZ 3.96Å; R38-F46 HydrophobicContact CG-CD2 4.24Å; R38-F46 HydrophobicContact CG-CE2 3.78Å; R38-F46 HydrophobicContact CG-CZ 4.02Å; R38-E50 IonicContact CZ-OE1 3.68Å; R38-E50 IonicContact CZ-OE2 2.85Å; R38-E50 IonicContact NH1-OE1 2.73Å; R38-E50 PolarHBondContact NH1-OE1 3.03Å; R38-E50 IonicContact NH1-OE2 2.86Å; R38-E50 IonicContact NH2-OE1 2.66Å; R38-E50 PolarHBondContact NH2-OE1 3.49Å; R38-E50 IonicContact NH2-OE2 3.93Å; R38-E50 PolarHBondContact NH2-OE2 3.22Å
39S75.9Confident77.4Confident4 Ų473.3 Ų73.33%0.02841%0.405CS..Hα-helixtrans-63.2-37.517765.90000112.3I35 S36 R41 S86I35-S39 VanDerWaalsContact O-CB 3.3Å; I35-S39 WeakPolarHBondContact O-CB 3.43Å; I35-S39 PolarHBondContact O-N 2.87Å; I35-S39 PolarHBondContact O-OG 3.05Å; I35-S39 VanDerWaalsContact O-OG 3.13Å; S36-S39 PolarHBondContact O-OG 2.82Å; S39-R41 PolarHBondContact O-N 2.79Å; S39-S86 PolarHBondContact OG-O 3.38Å
40L70.4Confident77.4Confident127 Ų12767.3 Ų67.367%0.66538%0.38SS*.THydrogen-bonded Turntrans-66.8-15.4175.2-169.265.1000114.1S36 R38 A42S36-L40 PolarHBondContact O-N 3.07Å; R38-L40 VanDerWaalsContact C-N 3.33Å; R38-L40 PolarHBondContact O-N 3.43Å; L40-A42 PolarHBondContact O-N 3Å
41R66.8Low77.4Confident177 Ų17761.1 Ų61.167%0.66835%0.353SS*.  trans-87.8101.9178.9-177175.8-78.5-162.9-5.8109.9R38 S39 A43 G44R38-R41 PolarHBondContact O-N 3.43Å; R38-R41 VanDerWaalsContact O-N 3.12Å; S39-R41 PolarHBondContact O-N 2.79Å; R41-A43 VanDerWaalsContact C-N 3.26Å; R41-A43 PolarHBondContact O-N 3.36Å; R41-A43 VanDerWaalsContact O-N 3.13Å; R41-G44 WeakPolarHBondContact O-CA 3.31Å; R41-G44 PolarHBondContact O-N 3.15Å
42A51.3Low77.5Confident103 Ų10362.6 Ų62.685%0.85136%0.36SS*.THydrogen-bonded Turntrans-48.3-42.6-179.700000114.2L40 G44L40-A42 PolarHBondContact O-N 3Å; A42-G44 PolarHBondContact O-N 3.35Å
43A43.1Very low77.6Confident106 Ų10662.4 Ų62.488%0.87636%0.362SS*.THydrogen-bonded Turntrans-90.917.417800000114.6R41R41-A43 VanDerWaalsContact C-N 3.26Å; R41-A43 PolarHBondContact O-N 3.36Å; R41-A43 VanDerWaalsContact O-N 3.13Å
44G53.7Low77.8Confident15 Ų1554.8 Ų54.816%0.15533%0.329CS..  trans-135.138.6-166.900000114.5R38 R41 A42R38-G44 WeakPolarHBondContact CG-O 3.42Å; R38-G44 PolarHBondContact NE-O 3.25Å; R41-G44 WeakPolarHBondContact O-CA 3.31Å; R41-G44 PolarHBondContact O-N 3.15Å; A42-G44 PolarHBondContact O-N 3.35Å
45G63.9Low78Confident30 Ų3052.1 Ų52.131%0.30932%0.318SS..PPolyproline II helixtrans-54.4163.2178.900000114.3R38R38-G45 PolarHBondContact NE-O 2.81Å; R38-G45 PolarHBondContact NH2-O 2.81Å
46F77.1Confident78.2Confident12 Ų1254.7 Ų54.75%0.05333%0.329CS..PPolyproline II helixtrans-83.4141.5164.2-75.8-88.7000109.3Y34 I35 R38 E50 L51 L54 F87Y34-F46 HydrophobicContact CD1-CE1 4.39Å; Y34-F46 HydrophobicContact CD1-CZ 4.1Å; Y34-F46 AromaticContact CE1-CE1 3.86Å; Y34-F46 HydrophobicContact CE1-CE1 3.86Å; Y34-F46 AromaticContact CE1-CZ 3.88Å; Y34-F46 HydrophobicContact CE1-CZ 3.88Å; I35-F46 HydrophobicContact CG1-CE2 4.46Å; I35-F46 HydrophobicContact CG1-CZ 4.04Å; I35-F46 HydrophobicContact CG2-CE2 4.5Å; R38-F46 HydrophobicContact CB-CE2 3.8Å; R38-F46 HydrophobicContact CB-CZ 3.96Å; R38-F46 HydrophobicContact CG-CD2 4.24Å; R38-F46 HydrophobicContact CG-CE2 3.78Å; R38-F46 HydrophobicContact CG-CZ 4.02Å; F46-E50 HydrophobicContact CD1-CB 4.42Å; F46-L51 HydrophobicContact CD1-CD1 4.4Å; F46-L54 HydrophobicContact CD1-CD1 4.33Å; F46-L54 HydrophobicContact CE1-CD1 3.79Å; F46-F87 HydrophobicContact CD2-CD1 4.26Å; F46-F87 AromaticContact CD2-CE1 3.63Å; F46-F87 HydrophobicContact CD2-CE1 3.63Å; F46-F87 HydrophobicContact CE2-CD1 4.46Å; F46-F87 AromaticContact CE2-CE1 3.79Å; F46-F87 HydrophobicContact CE2-CE1 3.79Å; F46-F87 HydrophobicContact CG-CE1 4.33Å
47T85.4Confident78.5Confident72 Ų7252.4 Ų52.444%0.44231%0.313SS..PPolyproline II helixtrans-89.3158.3164.959.10000110.5D49 E50 L51T47-D49 VanDerWaalsContact C-N 3.29Å; T47-D49 PolarHBondContact O-N 3.31Å; T47-E50 WeakPolarHBondContact CB-OE2 3.48Å; T47-E50 PolarHBondContact N-OE2 3.4Å; T47-E50 PolarHBondContact O-N 3.34Å; T47-E50 WeakPolarHBondContact OG1-CB 3.23Å; T47-E50 VanDerWaalsContact OG1-CD 3.24Å; T47-E50 VanDerWaalsContact OG1-CG 3.22Å; T47-E50 WeakPolarHBondContact OG1-CG 3.38Å; T47-E50 PolarHBondContact OG1-N 2.77Å; T47-E50 PolarHBondContact OG1-OE2 3.41Å; T47-L51 WeakPolarHBondContact O-CB 3.41Å; T47-L51 PolarHBondContact O-N 3.41Å; T47-L51 VanDerWaalsContact O-N 3.07Å
48G82.9Confident78.9Confident27 Ų2749.2 Ų49.228%0.27829%0.286SS..Hα-helixtrans-55.9-42.9175.200000112.4E50 L51 L52G48-E50 PolarHBondContact O-N 3.4Å; G48-L51 CarbonylContact O-C 3.54Å; G48-L51 PolarHBondContact O-N 2.66Å; G48-L51 VanDerWaalsContact O-N 3.1Å; G48-L52 WeakPolarHBondContact O-CB 3.36Å; G48-L52 VanDerWaalsContact O-CG 3.28Å; G48-L52 WeakPolarHBondContact O-CG 3.27Å; G48-L52 PolarHBondContact O-N 2.83Å
49D86.4Confident79.3Confident115 Ų11547.1 Ų47.162%0.61528%0.279SS*.Hα-helixtrans-64.8-40.5179.8-65.7-36.8000113.5T47 L51 L52 K53T47-D49 VanDerWaalsContact C-N 3.29Å; T47-D49 PolarHBondContact O-N 3.31Å; D49-L51 VanDerWaalsContact C-N 3.28Å; D49-L51 PolarHBondContact O-N 3.48Å; D49-L52 PolarHBondContact O-N 2.77Å; D49-K53 VanDerWaalsContact O-CG 3.25Å; D49-K53 WeakPolarHBondContact O-CG 3.46Å; D49-K53 PolarHBondContact O-N 3.04Å
50E89.2Confident80Confident30 Ų3049.4 Ų49.414%0.1429%0.287CS..Hα-helixtrans-60.1-40.8171.1-76.3167.9133.800111.4E9 R38 F46 T47 G48 K53 L54E9-E50 HydrophobicContact CG-CB 3.95Å; E9-E50 HydrophobicContact CG-CG 4.16Å; R38-E50 IonicContact CZ-OE1 3.68Å; R38-E50 IonicContact CZ-OE2 2.85Å; R38-E50 IonicContact NH1-OE1 2.73Å; R38-E50 PolarHBondContact NH1-OE1 3.03Å; R38-E50 IonicContact NH1-OE2 2.86Å; R38-E50 IonicContact NH2-OE1 2.66Å; R38-E50 PolarHBondContact NH2-OE1 3.49Å; R38-E50 IonicContact NH2-OE2 3.93Å; R38-E50 PolarHBondContact NH2-OE2 3.22Å; F46-E50 HydrophobicContact CD1-CB 4.42Å; T47-E50 WeakPolarHBondContact CB-OE2 3.48Å; T47-E50 PolarHBondContact N-OE2 3.4Å; T47-E50 PolarHBondContact O-N 3.34Å; T47-E50 WeakPolarHBondContact OG1-CB 3.23Å; T47-E50 VanDerWaalsContact OG1-CD 3.24Å; T47-E50 VanDerWaalsContact OG1-CG 3.22Å; T47-E50 WeakPolarHBondContact OG1-CG 3.38Å; T47-E50 PolarHBondContact OG1-N 2.77Å; T47-E50 PolarHBondContact OG1-OE2 3.41Å; G48-E50 PolarHBondContact O-N 3.4Å; E50-K53 WeakPolarHBondContact O-CB 3.49Å; E50-K53 PolarHBondContact O-N 3.14Å; E50-L54 WeakPolarHBondContact O-CG 3.48Å; E50-L54 PolarHBondContact O-N 3.3Å
51L89.5Confident80.9Confident1 Ų143.4 Ų43.41%0.00526%0.256CS..Hα-helixtrans-75.6-31.9-177.1-151.651.7000112.3F46 T47 G48 D49 L54 W55 F87 M95 Y96F46-L51 HydrophobicContact CD1-CD1 4.4Å; T47-L51 WeakPolarHBondContact O-CB 3.41Å; T47-L51 PolarHBondContact O-N 3.41Å; T47-L51 VanDerWaalsContact O-N 3.07Å; G48-L51 CarbonylContact O-C 3.54Å; G48-L51 PolarHBondContact O-N 2.66Å; G48-L51 VanDerWaalsContact O-N 3.1Å; D49-L51 VanDerWaalsContact C-N 3.28Å; D49-L51 PolarHBondContact O-N 3.48Å; L51-L54 HydrophobicContact CD1-CD1 4.2Å; L51-L54 PolarHBondContact O-N 2.9Å; L51-W55 WeakPolarHBondContact O-CB 3.48Å; L51-W55 PolarHBondContact O-N 3.23Å; L51-F87 HydrophobicContact CD1-CE1 4.47Å; L51-F87 HydrophobicContact CD1-CZ 4.03Å; L51-M95 HydrophobicContact CD2-CB 4.34Å; L51-M95 HydrophobicContact CD2-CG 4.04Å; L51-M95 HydrophobicContact CD2-SD 4.46Å; L51-Y96 HydrophobicContact CD1-CD2 3.89Å; L51-Y96 HydrophobicContact CD2-CD2 4.31Å; L51-Y96 HydrophobicContact CG-CD2 4.12Å
52L91.1Very high81.9Confident30 Ų3035 Ų3516%0.15722%0.224CC..Hα-helixtrans-68.1-40.4169-71.4169000112.4G48 D49 L54 W55 K56 Q102G48-L52 WeakPolarHBondContact O-CB 3.36Å; G48-L52 VanDerWaalsContact O-CG 3.28Å; G48-L52 WeakPolarHBondContact O-CG 3.27Å; G48-L52 PolarHBondContact O-N 2.83Å; D49-L52 PolarHBondContact O-N 2.77Å; L52-L54 VanDerWaalsContact C-N 3.33Å; L52-L54 PolarHBondContact O-N 2.84Å; L52-W55 PolarHBondContact O-N 3.18Å; L52-K56 WeakPolarHBondContact O-CB 3.17Å; L52-K56 PolarHBondContact O-N 2.8Å; L52-Q102 HydrophobicContact CD2-CB 3.89Å
53K91.1Very high83.6Confident73 Ų7332.7 Ų32.732%0.31719%0.194SC..Hα-helixtrans-58.3-46.3171.4-72.8163.9-176.4175.10110.6D7 E9 I10 A13 D49 E50 G57D7-K53 IonicContact OD2-NZ 3.42Å; D7-K53 PolarHBondContact OD2-NZ 3.46Å; E9-K53 HydrophobicContact CB-CB 4.45Å; I10-K53 HydrophobicContact CD1-CD 4.31Å; I10-K53 HydrophobicContact CG1-CD 4Å; I10-K53 HydrophobicContact CG1-CG 4.49Å; A13-K53 WeakPolarHBondContact CB-O 3.38Å; D49-K53 VanDerWaalsContact O-CG 3.25Å; D49-K53 WeakPolarHBondContact O-CG 3.46Å; D49-K53 PolarHBondContact O-N 3.04Å; E50-K53 WeakPolarHBondContact O-CB 3.49Å; E50-K53 PolarHBondContact O-N 3.14Å; K53-G57 PolarHBondContact O-N 2.85Å
54L91.4Very high85.5Confident2 Ų229.9 Ų29.91%0.0116%0.163CC..Hα-helixtrans-63.8-45.6175.4-72.9175.7000112.3E9 L12 L31 F46 E50 L51 L52 K56 G57 L58E9-L54 HydrophobicContact CB-CD2 4.03Å; E9-L54 HydrophobicContact CB-CG 4.04Å; E9-L54 HydrophobicContact CG-CD1 4.09Å; E9-L54 HydrophobicContact CG-CD2 4.24Å; E9-L54 HydrophobicContact CG-CG 3.94Å; L12-L54 HydrophobicContact CB-CD2 4.22Å; L31-L54 HydrophobicContact CD1-CD1 4.1Å; L31-L54 HydrophobicContact CD1-CD2 3.69Å; L31-L54 HydrophobicContact CD1-CG 4.47Å; F46-L54 HydrophobicContact CD1-CD1 4.33Å; F46-L54 HydrophobicContact CE1-CD1 3.79Å; E50-L54 WeakPolarHBondContact O-CG 3.48Å; E50-L54 PolarHBondContact O-N 3.3Å; L51-L54 HydrophobicContact CD1-CD1 4.2Å; L51-L54 PolarHBondContact O-N 2.9Å; L52-L54 VanDerWaalsContact C-N 3.33Å; L52-L54 PolarHBondContact O-N 2.84Å; L54-K56 PolarHBondContact O-N 2.92Å; L54-G57 CarbonylContact O-C 3.58Å; L54-G57 VanDerWaalsContact O-CA 3.3Å; L54-G57 WeakPolarHBondContact O-CA 3.25Å; L54-G57 PolarHBondContact O-N 3.33Å; L54-L58 WeakPolarHBondContact O-CG 3.3Å; L54-L58 PolarHBondContact O-N 3.25Å
55W92.6Very high86.6Confident3 Ų330 Ų301%0.01116%0.159CC..Hα-helixtrans-63.7-37.7178.9-97.8115.9000113.5L51 L52 G57 L58 F59 I80 Y96 S99 F100 T103 L122 M126L51-W55 WeakPolarHBondContact O-CB 3.48Å; L51-W55 PolarHBondContact O-N 3.23Å; L52-W55 PolarHBondContact O-N 3.18Å; W55-G57 VanDerWaalsContact C-N 3.27Å; W55-G57 PolarHBondContact O-N 2.69Å; W55-L58 HydrophobicContact CD2-CD1 4.01Å; W55-L58 HydrophobicContact CE3-CB 3.83Å; W55-L58 HydrophobicContact CE3-CD1 3.88Å; W55-L58 HydrophobicContact CZ3-CB 4.12Å; W55-L58 HydrophobicContact CZ3-CD1 4.13Å; W55-L58 PolarHBondContact O-N 2.89Å; W55-F59 WeakPolarHBondContact O-CB 3.34Å; W55-F59 PolarHBondContact O-N 3.43Å; W55-I80 HydrophobicContact CH2-CG2 3.62Å; W55-I80 HydrophobicContact CZ3-CG2 3.75Å; W55-Y96 HydrophobicContact CD2-CE2 4.4Å; W55-Y96 AromaticContact CE2-CD2 3.91Å; W55-Y96 AromaticContact CE2-CE2 3.45Å; W55-Y96 VanDerWaalsContact CE2-CE2 3.45Å; W55-Y96 AromaticContact CE2-CZ 3.65Å; W55-Y96 HydrophobicContact CH2-CE1 4.41Å; W55-Y96 HydrophobicContact CZ2-CD1 4.18Å; W55-Y96 HydrophobicContact CZ2-CD2 4.21Å; W55-Y96 AromaticContact CZ2-CE1 3.57Å; W55-Y96 HydrophobicContact CZ2-CE1 3.57Å; W55-Y96 AromaticContact CZ2-CE2 3.59Å; W55-Y96 HydrophobicContact CZ2-CE2 3.59Å; W55-Y96 HydrophobicContact CZ2-CG 4.48Å; W55-Y96 AromaticContact CZ2-CZ 3.23Å; W55-Y96 WeakPolarHBondContact CZ2-OH 3.22Å; W55-Y96 AromaticContact NE1-CD2 3.26Å; W55-Y96 VanDerWaalsContact NE1-CD2 3.26Å; W55-Y96 AromaticContact NE1-CE2 3.27Å; W55-Y96 VanDerWaalsContact NE1-CE2 3.27Å; W55-Y96 AromaticContact NE1-CG 3.89Å; W55-Y96 AromaticContact NE1-CZ 3.9Å; W55-Y96 PolarHBondContact NE1-O 3.12Å; W55-S99 VanDerWaalsContact CD1-CB 3.42Å; W55-F100 HydrophobicContact CD2-CB 4.3Å; W55-F100 HydrophobicContact CE3-CD2 4.21Å; W55-F100 HydrophobicContact CH2-CB 4.2Å; W55-F100 AromaticContact CH2-CD2 3.44Å; W55-F100 HydrophobicContact CH2-CD2 3.44Å; W55-F100 VanDerWaalsContact CH2-CD2 3.44Å; W55-F100 HydrophobicContact CH2-CE2 4.17Å; W55-F100 HydrophobicContact CH2-CG 4.16Å; W55-F100 HydrophobicContact CZ2-CB 3.6Å; W55-F100 AromaticContact CZ2-CD2 3.77Å; W55-F100 HydrophobicContact CZ2-CD2 3.77Å; W55-F100 HydrophobicContact CZ2-CG 4.03Å; W55-F100 AromaticContact CZ3-CD2 3.69Å; W55-F100 HydrophobicContact CZ3-CD2 3.69Å; W55-F100 HydrophobicContact CZ3-CE2 4.33Å; W55-T103 HydrophobicContact CB-CG2 4.37Å; W55-T103 WeakPolarHBondContact CB-OG1 3.43Å; W55-L122 HydrophobicContact CZ3-CD2 4.41Å; W55-M126 HydrophobicContact CH2-CE 4.17Å; W55-M126 HydrophobicContact CH2-CG 4.44Å; W55-M126 HydrophobicContact CH2-SD 3.78Å; W55-M126 HydrophobicContact CZ2-CE 3.86Å; W55-M126 HydrophobicContact CZ2-SD 4.03Å
56K91.2Very high86.8Confident56 Ų5633.1 Ų33.124%0.24317%0.169CC..Hα-helixtrans-58.3-42.2168.7-173.7-174.1164-173.10110.6L52 L54 F59 Y60 F778 F779L52-K56 WeakPolarHBondContact O-CB 3.17Å; L52-K56 PolarHBondContact O-N 2.8Å; L54-K56 PolarHBondContact O-N 2.92Å; K56-F59 PolarHBondContact O-N 3.19Å; K56-Y60 HydrophobicContact CG-CD2 4.04Å; K56-Y60 HydrophobicContact CG-CE2 3.96Å; K56-Y60 VanDerWaalsContact O-CD2 3.23Å; K56-Y60 WeakPolarHBondContact O-CD2 3.46Å; K56-Y60 PolarHBondContact O-N 3.05Å; K56-F778 PolarHBondContact NZ-O 2.72Å; K56-F779 HydrophobicContact CB-CE1 3.9Å; K56-F779 HydrophobicContact CB-CZ 4.21Å; K56-F779 HydrophobicContact CD-CD1 4.12Å; K56-F779 HydrophobicContact CD-CE1 3.56Å; K56-F779 HydrophobicContact CD-CZ 3.95Å; K56-F779 HydrophobicContact CG-CE1 3.6Å; K56-F779 HydrophobicContact CG-CZ 3.64Å
57G90.8Very high86.2Confident0 Ų040.3 Ų40.30%020%0.2CC..Hα-helixtrans-60.7-42.9172.700000114.2L16 K53 L54 W55 C61L16-G57 WeakPolarHBondContact CB-O 3.49Å; K53-G57 PolarHBondContact O-N 2.85Å; L54-G57 CarbonylContact O-C 3.58Å; L54-G57 VanDerWaalsContact O-CA 3.3Å; L54-G57 WeakPolarHBondContact O-CA 3.25Å; L54-G57 PolarHBondContact O-N 3.33Å; W55-G57 VanDerWaalsContact C-N 3.27Å; W55-G57 PolarHBondContact O-N 2.69Å; G57-C61 WeakPolarHBondContact O-CB 3.28Å; G57-C61 PolarHBondContact O-N 3.24Å
58L90.9Very high84.6Confident2 Ų242.3 Ų42.31%0.0121%0.214CC..Hα-helixtrans-66.9-42176.6-67.8170.6000112.2L16 M28 L31 L54 W55 C61 L62 I80 L83 Y96L16-L58 HydrophobicContact CD1-CD2 4.23Å; M28-L58 HydrophobicContact CE-CD2 3.78Å; M28-L58 HydrophobicContact SD-CD2 4Å; L31-L58 HydrophobicContact CD2-CD1 4.37Å; L31-L58 HydrophobicContact CD2-CD2 3.69Å; L31-L58 HydrophobicContact CD2-CG 4.27Å; L54-L58 WeakPolarHBondContact O-CG 3.3Å; L54-L58 PolarHBondContact O-N 3.25Å; W55-L58 HydrophobicContact CD2-CD1 4.01Å; W55-L58 HydrophobicContact CE3-CB 3.83Å; W55-L58 HydrophobicContact CE3-CD1 3.88Å; W55-L58 HydrophobicContact CZ3-CB 4.12Å; W55-L58 HydrophobicContact CZ3-CD1 4.13Å; W55-L58 PolarHBondContact O-N 2.89Å; L58-C61 VanDerWaalsContact O-CB 3.27Å; L58-C61 WeakPolarHBondContact O-CB 3.46Å; L58-C61 PolarHBondContact O-N 3.46Å; L58-L62 PolarHBondContact O-N 3.37Å; L58-L62 VanDerWaalsContact O-N 3.08Å; L58-I80 HydrophobicContact CD1-CG2 4.36Å; L58-I80 HydrophobicContact CD2-CG1 4.2Å; L58-L83 HydrophobicContact CD1-CD1 4.25Å; L58-L83 HydrophobicContact CD2-CD1 4.16Å; L58-Y96 HydrophobicContact CD1-CE2 4.23Å
59F91.3Very high83.1Confident5 Ų546.8 Ų46.82%0.02223%0.231CC..Hα-helixtrans-57.9-49.5174-179.5-91.5000111W55 K56 C61 L62 W63 T103 L104 E107 I111 F119W55-F59 WeakPolarHBondContact O-CB 3.34Å; W55-F59 PolarHBondContact O-N 3.43Å; K56-F59 PolarHBondContact O-N 3.19Å; F59-C61 VanDerWaalsContact C-N 3.33Å; F59-C61 PolarHBondContact O-N 2.8Å; F59-L62 PolarHBondContact O-N 2.93Å; F59-W63 AromaticContact CE1-CE3 3.69Å; F59-W63 HydrophobicContact CE1-CE3 3.69Å; F59-W63 HydrophobicContact CE1-CZ3 4.21Å; F59-W63 AromaticContact CZ-CE3 3.82Å; F59-W63 HydrophobicContact CZ-CE3 3.82Å; F59-W63 HydrophobicContact CZ-CZ3 4.09Å; F59-W63 WeakPolarHBondContact O-CB 3.36Å; F59-W63 PolarHBondContact O-N 3.16Å; F59-T103 HydrophobicContact CB-CG2 4.33Å; F59-L104 HydrophobicContact CD2-CD2 4.38Å; F59-L104 HydrophobicContact CE2-CD2 4.38Å; F59-E107 HydrophobicContact CD1-CG 4.26Å; F59-E107 HydrophobicContact CD2-CB 4.35Å; F59-E107 HydrophobicContact CD2-CG 4.41Å; F59-E107 HydrophobicContact CE1-CB 3.92Å; F59-E107 HydrophobicContact CE1-CG 4.02Å; F59-E107 HydrophobicContact CE2-CB 3.67Å; F59-E107 HydrophobicContact CE2-CG 4.19Å; F59-E107 HydrophobicContact CG-CG 4.46Å; F59-E107 HydrophobicContact CZ-CB 3.42Å; F59-E107 VanDerWaalsContact CZ-CB 3.42Å; F59-E107 HydrophobicContact CZ-CG 4Å; F59-I111 HydrophobicContact CE2-CD1 4.18Å; F59-I111 HydrophobicContact CE2-CG1 4.38Å; F59-I111 HydrophobicContact CZ-CD1 4.43Å; F59-I111 HydrophobicContact CZ-CG1 4.12Å; F59-F119 HydrophobicContact CD2-CD1 4.21Å; F59-F119 AromaticContact CD2-CE1 3.44Å; F59-F119 HydrophobicContact CD2-CE1 3.44Å; F59-F119 VanDerWaalsContact CD2-CE1 3.44Å; F59-F119 AromaticContact CD2-CZ 3.98Å; F59-F119 HydrophobicContact CD2-CZ 3.98Å; F59-F119 HydrophobicContact CE1-CZ 4.39Å; F59-F119 AromaticContact CE2-CD1 3.96Å; F59-F119 HydrophobicContact CE2-CD1 3.96Å; F59-F119 AromaticContact CE2-CE1 3.32Å; F59-F119 HydrophobicContact CE2-CE1 3.32Å; F59-F119 HydrophobicContact CE2-CE2 4.36Å; F59-F119 AromaticContact CE2-CZ 3.56Å; F59-F119 HydrophobicContact CE2-CZ 3.56Å; F59-F119 HydrophobicContact CG-CE1 4.24Å; F59-F119 HydrophobicContact CZ-CE1 4.05Å; F59-F119 HydrophobicContact CZ-CE2 4.43Å; F59-F119 AromaticContact CZ-CZ 3.78Å; F59-F119 HydrophobicContact CZ-CZ 3.78Å
60Y89.9Confident81.6Confident51 Ų5146.2 Ų46.220%0.223%0.228CC..Hα-helixtrans-69.8-26.6176.7-76.6-70000113.5K56 L62 W63 M64 A775 F779K56-Y60 HydrophobicContact CG-CD2 4.04Å; K56-Y60 HydrophobicContact CG-CE2 3.96Å; K56-Y60 VanDerWaalsContact O-CD2 3.23Å; K56-Y60 WeakPolarHBondContact O-CD2 3.46Å; K56-Y60 PolarHBondContact O-N 3.05Å; Y60-L62 VanDerWaalsContact C-N 3.35Å; Y60-W63 HydrophobicContact CD1-CB 4.15Å; Y60-W63 HydrophobicContact CD1-CG 4.26Å; Y60-W63 PolarHBondContact O-N 2.87Å; Y60-M64 WeakPolarHBondContact O-CG 3.39Å; Y60-M64 PolarHBondContact O-N 2.79Å; Y60-A775 HydrophobicContact CD1-CB 3.75Å; Y60-A775 HydrophobicContact CE1-CB 4.36Å; Y60-A775 HydrophobicContact CG-CB 3.99Å; Y60-F779 HydrophobicContact CD2-CE2 4.13Å; Y60-F779 AromaticContact CD2-CZ 4Å; Y60-F779 HydrophobicContact CD2-CZ 4Å
61C89.1Confident79.8Confident2 Ų251.3 Ų51.31%0.01426%0.255CS..Hα-helixtrans-61.7-41170.6-172.10000112.3L16 R24 G57 L58 F59L16-C61 HydrophobicContact CB-CB 4.12Å; L16-C61 HydrophobicContact CD2-CB 4.46Å; L16-C61 WeakPolarHBondContact O-CA 3.37Å; L16-C61 VanDerWaalsContact O-CB 3.27Å; L16-C61 WeakPolarHBondContact O-CB 3.43Å; R24-C61 PolarHBondContact NH1-O 3.08Å; G57-C61 WeakPolarHBondContact O-CB 3.28Å; G57-C61 PolarHBondContact O-N 3.24Å; L58-C61 VanDerWaalsContact O-CB 3.27Å; L58-C61 WeakPolarHBondContact O-CB 3.46Å; L58-C61 PolarHBondContact O-N 3.46Å; F59-C61 VanDerWaalsContact C-N 3.33Å; F59-C61 PolarHBondContact O-N 2.8Å
62L87.4Confident78.3Confident0 Ų052.6 Ų52.60%026%0.264CS..Hα-helixtrans-77.7-36.1174.4-173.759.3000111.9L58 F59 Y60 M64 Q65 L76 K118 F119 L122L58-L62 PolarHBondContact O-N 3.37Å; L58-L62 VanDerWaalsContact O-N 3.08Å; F59-L62 PolarHBondContact O-N 2.93Å; Y60-L62 VanDerWaalsContact C-N 3.35Å; L62-M64 PolarHBondContact O-N 3.19Å; L62-Q65 VanDerWaalsContact O-CB 3.25Å; L62-Q65 WeakPolarHBondContact O-CB 3.37Å; L62-Q65 PolarHBondContact O-N 3.39Å; L62-Q65 VanDerWaalsContact O-N 3.07Å; L62-L76 HydrophobicContact CD1-CD2 3.88Å; L62-L76 HydrophobicContact CD1-CG 4.37Å; L62-K118 HydrophobicContact CD1-CB 4.22Å; L62-K118 HydrophobicContact CD1-CD 4.12Å; L62-K118 HydrophobicContact CG-CD 4.17Å; L62-K118 HydrophobicContact CG-CG 4.44Å; L62-K118 WeakPolarHBondContact O-CE 3.29Å; L62-K118 PolarHBondContact O-NZ 3.46Å; L62-F119 HydrophobicContact CB-CE1 4.29Å; L62-F119 HydrophobicContact CD2-CD1 3.79Å; L62-F119 HydrophobicContact CD2-CE1 3.79Å; L62-F119 HydrophobicContact CG-CE1 4.14Å; L62-F119 HydrophobicContact CG-CZ 4.47Å; L62-L122 HydrophobicContact CD2-CB 3.86Å; L62-L122 HydrophobicContact CD2-CD2 3.71Å; L62-L122 HydrophobicContact CD2-CG 4.27Å
63W87.7Confident76.9Confident55 Ų5552.7 Ų52.721%0.20826%0.263CS..Hα-helixtrans-56-49.4174.8-172.5-79.9000111.7F59 Y60 Q65 G110 I111 K118 F119F59-W63 AromaticContact CE1-CE3 3.69Å; F59-W63 HydrophobicContact CE1-CE3 3.69Å; F59-W63 HydrophobicContact CE1-CZ3 4.21Å; F59-W63 AromaticContact CZ-CE3 3.82Å; F59-W63 HydrophobicContact CZ-CE3 3.82Å; F59-W63 HydrophobicContact CZ-CZ3 4.09Å; F59-W63 WeakPolarHBondContact O-CB 3.36Å; F59-W63 PolarHBondContact O-N 3.16Å; Y60-W63 HydrophobicContact CD1-CB 4.15Å; Y60-W63 HydrophobicContact CD1-CG 4.26Å; Y60-W63 PolarHBondContact O-N 2.87Å; W63-Q65 PolarHBondContact O-N 3.21Å; W63-G110 WeakPolarHBondContact CH2-O 3.47Å; W63-I111 HydrophobicContact CZ3-CG1 4.37Å; W63-K118 PolarHBondContact O-NZ 2.87Å; W63-F119 HydrophobicContact CB-CZ 4.48Å; W63-F119 HydrophobicContact CE3-CE2 4.08Å; W63-F119 HydrophobicContact CE3-CZ 4.07Å
64M83.1Confident76.1Confident47 Ų4752.7 Ų52.723%0.23226%0.264CS..THydrogen-bonded Turntrans-71.75.9178.9-63.2-62.5175.300114.1R24 Y60 L62 D66 A775R24-M64 PolarHBondContact NH2-O 3.35Å; Y60-M64 WeakPolarHBondContact O-CG 3.39Å; Y60-M64 PolarHBondContact O-N 2.79Å; L62-M64 PolarHBondContact O-N 3.19Å; M64-D66 PolarHBondContact O-N 3.26Å; M64-A775 HydrophobicContact CE-CB 3.5Å
65Q77.4Confident75.5Confident17 Ų1757.7 Ų57.78%0.07929%0.287CS..  trans-9078.2171.6-167.8126.8-58.600111.4L62 W63 P72 L76 K118L62-Q65 VanDerWaalsContact O-CB 3.25Å; L62-Q65 WeakPolarHBondContact O-CB 3.37Å; L62-Q65 PolarHBondContact O-N 3.39Å; L62-Q65 VanDerWaalsContact O-N 3.07Å; W63-Q65 PolarHBondContact O-N 3.21Å; Q65-P72 VanDerWaalsContact NE2-C 3.27Å; Q65-P72 PolarHBondContact NE2-O 2.86Å; Q65-L76 HydrophobicContact CB-CD2 4.34Å; Q65-K118 PolarHBondContact O-NZ 3.45Å
66D67.6Low75.1Confident95 Ų9558.1 Ų58.151%0.50829%0.29SS..  trans-97.710.2-178.4-72.9-15.7000113.6M64 R115 K118M64-D66 PolarHBondContact O-N 3.26Å; D66-R115 IonicContact OD1-CZ 2.72Å; D66-R115 IonicContact OD1-NE 3.61Å; D66-R115 PolarHBondContact OD1-NE 3.37Å; D66-R115 IonicContact OD1-NH2 3.83Å; D66-R115 IonicContact OD2-CZ 3.77Å; D66-R115 IonicContact OD2-NE 3.07Å; D66-R115 IonicContact OD2-NH2 3.96Å; D66-R115 PolarHBondContact OD2-NH2 2.89Å; D66-R115 VanDerWaalsContact OD2-NH2 3.07Å; D66-K118 IonicContact OD1-NZ 3.42Å; D66-K118 PolarHBondContact OD1-NZ 2.92Å
67K63.1Low74.8Confident163 Ų16355.5 Ų55.571%0.70928%0.278SS*.  trans-81.7130.9174.1-71.2-158.1173.7-163.70110.9L69K67-L69 VanDerWaalsContact C-N 3.33Å; K67-L69 PolarHBondContact O-N 3.06Å
68P52Low74.5Confident114 Ų11458 Ų5874%0.7429%0.292SS*.  trans-80.5-1.3-167.631.9-37.8000115.8L70P68-L70 PolarHBondContact O-N 3.13Å
69L53Low74.3Confident121 Ų12160.3 Ų60.363%0.63430%0.302SS*.  trans-67.8128.8174.7-59.7178.4000109.5K67 P72K67-L69 VanDerWaalsContact C-N 3.33Å; K67-L69 PolarHBondContact O-N 3.06Å; L69-P72 HydrophobicContact CB-CG 4.12Å; L69-P72 WeakPolarHBondContact O-CD 3.43Å
70L54.8Low74.2Confident103 Ų10360 Ų6054%0.53930%0.301SS..Hα-helixtrans-65.6-48.9-175.2-61.1174.9000112P68 K73 E74P68-L70 PolarHBondContact O-N 3.13Å; L70-K73 HydrophobicContact CD2-CD 4.35Å; L70-K73 WeakPolarHBondContact O-CA 3.48Å; L70-K73 VanDerWaalsContact O-CB 3.26Å; L70-K73 WeakPolarHBondContact O-CB 3.48Å; L70-K73 PolarHBondContact O-N 3.47Å; L70-E74 PolarHBondContact O-N 3.3Å
71L50.4Low74.1Confident137 Ų13757.6 Ų57.672%0.71729%0.292SS*.Hα-helixtrans-46.9-48.7-178-66.4164.5000114K73 E74 E75L71-K73 VanDerWaalsContact C-N 3.34Å; L71-K73 PolarHBondContact O-N 3.03Å; L71-E74 PolarHBondContact O-N 2.8Å; L71-E75 VanDerWaalsContact O-CB 3.31Å; L71-E75 WeakPolarHBondContact O-CB 3.31Å; L71-E75 PolarHBondContact O-N 2.72Å
72P58.9Low74.2Confident29 Ų2959.5 Ų59.519%0.18830%0.303CS..Hα-helixtrans-56.7-34.2170.9-30.534.3000116.8Q65 L69 L76Q65-P72 VanDerWaalsContact NE2-C 3.27Å; Q65-P72 PolarHBondContact NE2-O 2.86Å; L69-P72 HydrophobicContact CB-CG 4.12Å; L69-P72 WeakPolarHBondContact O-CD 3.43Å; P72-L76 WeakPolarHBondContact O-CB 3.49Å; P72-L76 PolarHBondContact O-N 2.95Å
73K61.5Low74.3Confident32 Ų3259.5 Ų59.514%0.13930%0.303CS..Hα-helixtrans-68.1-47.8-179.6-57.9175.4-176.3174.70110.6L70 L71 L76 S77 D117 K118L70-K73 HydrophobicContact CD2-CD 4.35Å; L70-K73 WeakPolarHBondContact O-CA 3.48Å; L70-K73 VanDerWaalsContact O-CB 3.26Å; L70-K73 WeakPolarHBondContact O-CB 3.48Å; L70-K73 PolarHBondContact O-N 3.47Å; L71-K73 VanDerWaalsContact C-N 3.34Å; L71-K73 PolarHBondContact O-N 3.03Å; K73-L76 PolarHBondContact O-N 3.27Å; K73-S77 WeakPolarHBondContact O-CB 3.21Å; K73-S77 PolarHBondContact O-N 3.07Å; K73-S77 PolarHBondContact O-OG 2.91Å; K73-D117 WeakPolarHBondContact CE-OD2 3.44Å; K73-D117 IonicContact NZ-OD1 2.72Å; K73-D117 IonicContact NZ-OD2 3.27Å; K73-D117 PolarHBondContact NZ-OD2 3.04Å; K73-K118 HydrophobicContact CD-CB 4.35Å
74E73.5Confident74.4Confident73 Ų7357 Ų5734%0.34129%0.294SS..Hα-helixtrans-63.8-51.6178.8-68.8155.917300110L70 L71 L76 S77 N78 Q121 F125L70-E74 PolarHBondContact O-N 3.3Å; L71-E74 PolarHBondContact O-N 2.8Å; E74-L76 VanDerWaalsContact C-N 3.32Å; E74-L76 PolarHBondContact O-N 3.13Å; E74-S77 PolarHBondContact O-N 2.76Å; E74-N78 WeakPolarHBondContact O-CB 3.23Å; E74-N78 PolarHBondContact O-N 3.15Å; E74-Q121 HydrophobicContact CG-CG 4.48Å; E74-F125 HydrophobicContact CB-CE2 4.21Å; E74-F125 HydrophobicContact CG-CE2 4.37Å
75E80.1Confident74.6Confident106 Ų10657 Ų5750%0.49529%0.293SS..Hα-helixtrans-57.2-40.9177.5175.158-16500112.6L71 Q79L71-E75 VanDerWaalsContact O-CB 3.31Å; L71-E75 WeakPolarHBondContact O-CB 3.31Å; L71-E75 PolarHBondContact O-N 2.72Å; E75-Q79 VanDerWaalsContact O-CB 3.31Å; E75-Q79 WeakPolarHBondContact O-CB 3.5Å; E75-Q79 VanDerWaalsContact O-CG 3.23Å; E75-Q79 WeakPolarHBondContact O-CG 3.48Å; E75-Q79 PolarHBondContact O-N 3.19Å; E75-Q79 PolarHBondContact OE1-NE2 3.49Å
76L82.3Confident75.1Confident13 Ų1356.8 Ų56.87%0.06829%0.294CS..Hα-helixtrans-69.1-39.7175-179.759.7000112M28 L62 Q65 P72 K73 E74 Q79 I80M28-L76 HydrophobicContact CE-CD1 3.75Å; L62-L76 HydrophobicContact CD1-CD2 3.88Å; L62-L76 HydrophobicContact CD1-CG 4.37Å; Q65-L76 HydrophobicContact CB-CD2 4.34Å; P72-L76 WeakPolarHBondContact O-CB 3.49Å; P72-L76 PolarHBondContact O-N 2.95Å; K73-L76 PolarHBondContact O-N 3.27Å; E74-L76 VanDerWaalsContact C-N 3.32Å; E74-L76 PolarHBondContact O-N 3.13Å; L76-Q79 PolarHBondContact O-N 3.04Å; L76-I80 HydrophobicContact CD1-CD1 4.15Å; L76-I80 HydrophobicContact CD1-CG1 4.34Å; L76-I80 HydrophobicContact CG-CD1 4.04Å; L76-I80 VanDerWaalsContact O-CG1 3.25Å; L76-I80 WeakPolarHBondContact O-CG1 3.28Å; L76-I80 PolarHBondContact O-N 3.36Å
77S85.3Confident75.9Confident0 Ų052.4 Ų52.40%027%0.27CS..Hα-helixtrans-67.1-42.8-179.6-55.60000110.9K73 E74 I80 S81K73-S77 WeakPolarHBondContact O-CB 3.21Å; K73-S77 PolarHBondContact O-N 3.07Å; K73-S77 PolarHBondContact O-OG 2.91Å; E74-S77 PolarHBondContact O-N 2.76Å; S77-I80 PolarHBondContact O-N 2.68Å; S77-I80 VanDerWaalsContact O-N 3.14Å; S77-S81 PolarHBondContact O-N 2.86Å; S77-S81 PolarHBondContact O-OG 2.95Å
78N85.7Confident76.8Confident53 Ų5349.7 Ų49.728%0.28326%0.26SS..Hα-helixtrans-59.6-44.2169.3-75.1-24.4000112E74 I80 S81 T82 F125E74-N78 WeakPolarHBondContact O-CB 3.23Å; E74-N78 PolarHBondContact O-N 3.15Å; N78-I80 PolarHBondContact O-N 3.44Å; N78-S81 WeakPolarHBondContact CA-OG 3.39Å; N78-S81 PolarHBondContact O-N 3.38Å; N78-S81 PolarHBondContact O-OG 3.22Å; N78-T82 VanDerWaalsContact O-CB 3.28Å; N78-T82 WeakPolarHBondContact O-CB 3.39Å; N78-T82 WeakPolarHBondContact O-CG2 3.45Å; N78-T82 PolarHBondContact O-N 3.48Å; N78-T82 PolarHBondContact O-OG1 3.12Å; N78-F125 WeakPolarHBondContact OD1-CD1 3.21Å; N78-F125 VanDerWaalsContact OD1-CD2 3.3Å; N78-F125 WeakPolarHBondContact OD1-CD2 3.27Å; N78-F125 WeakPolarHBondContact OD1-CE1 3.4Å; N78-F125 WeakPolarHBondContact OD1-CE2 3.34Å; N78-F125 WeakPolarHBondContact OD1-CG 3.35Å; N78-F125 WeakPolarHBondContact OD1-CZ 3.46Å
79Q86.1Confident78.3Confident50 Ų5047.6 Ų47.623%0.23424%0.242CC..Hα-helixtrans-62.2-23.5175.4-81.3-179.424.400113.9R32 E75 L76 L83R32-Q79 PolarHBondContact NH2-O 3.29Å; E75-Q79 VanDerWaalsContact O-CB 3.31Å; E75-Q79 WeakPolarHBondContact O-CB 3.5Å; E75-Q79 VanDerWaalsContact O-CG 3.23Å; E75-Q79 WeakPolarHBondContact O-CG 3.48Å; E75-Q79 PolarHBondContact O-N 3.19Å; E75-Q79 PolarHBondContact OE1-NE2 3.49Å; L76-Q79 PolarHBondContact O-N 3.04Å; Q79-L83 WeakPolarHBondContact O-CG 3.27Å
80I89Confident79.9Confident0 Ų042.5 Ų42.50%022%0.216CC..Hα-helixtrans-88.3-44.9177.2-67170.1000111.2M28 W55 L58 L76 S77 N78 L83 Y96 L122M28-I80 HydrophobicContact CE-CD1 4.18Å; M28-I80 HydrophobicContact CE-CG1 3.56Å; W55-I80 HydrophobicContact CH2-CG2 3.62Å; W55-I80 HydrophobicContact CZ3-CG2 3.75Å; L58-I80 HydrophobicContact CD1-CG2 4.36Å; L58-I80 HydrophobicContact CD2-CG1 4.2Å; L76-I80 HydrophobicContact CD1-CD1 4.15Å; L76-I80 HydrophobicContact CD1-CG1 4.34Å; L76-I80 HydrophobicContact CG-CD1 4.04Å; L76-I80 VanDerWaalsContact O-CG1 3.25Å; L76-I80 WeakPolarHBondContact O-CG1 3.28Å; L76-I80 PolarHBondContact O-N 3.36Å; S77-I80 PolarHBondContact O-N 2.68Å; S77-I80 VanDerWaalsContact O-N 3.14Å; N78-I80 PolarHBondContact O-N 3.44Å; I80-L83 VanDerWaalsContact O-CB 3.28Å; I80-L83 WeakPolarHBondContact O-CB 3.32Å; I80-L83 WeakPolarHBondContact O-CG 3.23Å; I80-L83 PolarHBondContact O-N 3.43Å; I80-Y96 PolarHBondContact O-OH 2.92Å; I80-L122 HydrophobicContact CB-CD1 4.11Å; I80-L122 HydrophobicContact CG2-CD1 3.85Å
81S88.9Confident81.4Confident0 Ų041.9 Ų41.90%021%0.213CC..Hα-helixtrans-68-44.4-179.259.50000111.7S77 N78 L83 I84 F125S77-S81 PolarHBondContact O-N 2.86Å; S77-S81 PolarHBondContact O-OG 2.95Å; N78-S81 WeakPolarHBondContact CA-OG 3.39Å; N78-S81 PolarHBondContact O-N 3.38Å; N78-S81 PolarHBondContact O-OG 3.22Å; S81-L83 PolarHBondContact O-N 2.78Å; S81-I84 VanDerWaalsContact O-CG2 3.31Å; S81-I84 WeakPolarHBondContact O-CG2 3.48Å; S81-I84 PolarHBondContact O-N 3.15Å; S81-F125 WeakPolarHBondContact CB-O 3.43Å
82T90.8Very high83.2Confident41 Ų4136.9 Ų36.925%0.25219%0.186SC..THydrogen-bonded Turntrans-62.1-0.7173.358.60000114.4R32 N78 I84R32-T82 PolarHBondContact NH1-O 2.98Å; R32-T82 PolarHBondContact NH2-OG1 3.46Å; N78-T82 VanDerWaalsContact O-CB 3.28Å; N78-T82 WeakPolarHBondContact O-CB 3.39Å; N78-T82 WeakPolarHBondContact O-CG2 3.45Å; N78-T82 PolarHBondContact O-N 3.48Å; N78-T82 PolarHBondContact O-OG1 3.12Å; T82-I84 VanDerWaalsContact C-N 3.28Å
83L88.7Confident84.7Confident0 Ų036 Ų360%018%0.179CC..THydrogen-bonded Turntrans-71.6-23167.4-62.8174.8000111.9M28 L31 R32 I35 L58 Q79 I80 S81 H85 S86 F87 Y96M28-L83 HydrophobicContact SD-CD1 4.1Å; L31-L83 HydrophobicContact CD2-CD1 3.8Å; R32-L83 HydrophobicContact CB-CD2 3.86Å; R32-L83 HydrophobicContact CG-CD2 4.12Å; I35-L83 HydrophobicContact CD1-CB 4.38Å; I35-L83 HydrophobicContact CD1-CD1 4.43Å; I35-L83 HydrophobicContact CD1-CD2 4.42Å; L58-L83 HydrophobicContact CD1-CD1 4.25Å; L58-L83 HydrophobicContact CD2-CD1 4.16Å; Q79-L83 WeakPolarHBondContact O-CG 3.27Å; I80-L83 VanDerWaalsContact O-CB 3.28Å; I80-L83 WeakPolarHBondContact O-CB 3.32Å; I80-L83 WeakPolarHBondContact O-CG 3.23Å; I80-L83 PolarHBondContact O-N 3.43Å; S81-L83 PolarHBondContact O-N 2.78Å; L83-H85 VanDerWaalsContact C-N 3.29Å; L83-H85 PolarHBondContact O-N 3.2Å; L83-S86 WeakPolarHBondContact O-CB 3.46Å; L83-S86 PolarHBondContact O-N 2.87Å; L83-S86 PolarHBondContact O-OG 3.46Å; L83-F87 WeakPolarHBondContact O-CD2 3.45Å; L83-Y96 HydrophobicContact CB-CE1 4.29Å
84I89.6Confident86.1Confident3 Ų335.4 Ų35.42%0.01518%0.177CC..G310 helixtrans-60.3-39.5178.5-159.2170.7000111.6S81 T82 S86 F87 Q93 Y96 Q129 V133S81-I84 VanDerWaalsContact O-CG2 3.31Å; S81-I84 WeakPolarHBondContact O-CG2 3.48Å; S81-I84 PolarHBondContact O-N 3.15Å; T82-I84 VanDerWaalsContact C-N 3.28Å; I84-S86 PolarHBondContact O-N 3.42Å; I84-S86 VanDerWaalsContact O-N 3.12Å; I84-F87 WeakPolarHBondContact O-CD2 3.37Å; I84-F87 PolarHBondContact O-N 2.99Å; I84-Q93 HydrophobicContact CD1-CB 4.42Å; I84-Q93 HydrophobicContact CG1-CB 3.97Å; I84-Q93 HydrophobicContact CG1-CG 4.31Å; I84-Y96 HydrophobicContact CB-CD1 3.91Å; I84-Y96 HydrophobicContact CB-CE1 4.19Å; I84-Y96 HydrophobicContact CD1-CD1 4.42Å; I84-Y96 HydrophobicContact CG1-CD1 3.98Å; I84-Q129 HydrophobicContact CG2-CB 3.95Å; I84-V133 HydrophobicContact CD1-CG2 4.14Å; I84-V133 HydrophobicContact CG1-CG2 4.09Å; I84-V133 HydrophobicContact CG2-CG2 3.86Å
85H88.3Confident86.9Confident47 Ų4734.6 Ų34.622%0.21817%0.174CC..G310 helixtrans-72.30.6174.2-50.8-69.4000114.3L83 Q129 D132 V133L83-H85 VanDerWaalsContact C-N 3.29Å; L83-H85 PolarHBondContact O-N 3.2Å; H85-Q129 PolarHBondContact CD2-OE1 2.77Å; H85-Q129 PolarHBondContact NE2-O 3.09Å; H85-Q129 VanDerWaalsContact NE2-O 3.08Å; H85-D132 WeakPolarHBondContact NE2-CB 3.38Å; H85-D132 PolarHBondContact NE2-O 3.08Å; H85-D132 IonicContact NE2-OD1 3.11Å; H85-D132 IonicContact NE2-OD2 2.77Å; H85-D132 PolarHBondContact NE2-OD2 2.94Å; H85-V133 WeakPolarHBondContact CE1-CG2 3.41Å; H85-V133 WeakPolarHBondContact NE2-CA 3.36Å; H85-V133 WeakPolarHBondContact NE2-CG2 3.34Å; H85-V133 PolarHBondContact NE2-N 3.25Å
86S86.5Confident87.4Confident12 Ų1229.7 Ų29.78%0.08415%0.151CC..G310 helixtrans-89.2-8.4173.2-51.70000112.7R32 S39 L83 I84R32-S86 PolarHBondContact NH1-OG 3.37Å; S39-S86 PolarHBondContact OG-O 3.38Å; L83-S86 WeakPolarHBondContact O-CB 3.46Å; L83-S86 PolarHBondContact O-N 2.87Å; L83-S86 PolarHBondContact O-OG 3.46Å; I84-S86 PolarHBondContact O-N 3.42Å; I84-S86 VanDerWaalsContact O-N 3.12Å
87F85.1Confident87.9Confident4 Ų429.1 Ų29.12%0.01815%0.148CC..  trans-95.3144.3168.3-55.6-94.1000109.5I35 F46 L51 L83 I84 K92 Q93 Y96I35-F87 HydrophobicContact CD1-CE2 4.28Å; I35-F87 HydrophobicContact CD1-CZ 4.05Å; I35-F87 HydrophobicContact CG1-CZ 4.21Å; I35-F87 HydrophobicContact CG2-CD1 3.89Å; I35-F87 HydrophobicContact CG2-CD2 3.9Å; I35-F87 HydrophobicContact CG2-CE1 3.66Å; I35-F87 HydrophobicContact CG2-CE2 3.67Å; I35-F87 HydrophobicContact CG2-CG 4.01Å; I35-F87 HydrophobicContact CG2-CZ 3.54Å; F46-F87 HydrophobicContact CD2-CD1 4.26Å; F46-F87 AromaticContact CD2-CE1 3.63Å; F46-F87 HydrophobicContact CD2-CE1 3.63Å; F46-F87 HydrophobicContact CE2-CD1 4.46Å; F46-F87 AromaticContact CE2-CE1 3.79Å; F46-F87 HydrophobicContact CE2-CE1 3.79Å; F46-F87 HydrophobicContact CG-CE1 4.33Å; L51-F87 HydrophobicContact CD1-CE1 4.47Å; L51-F87 HydrophobicContact CD1-CZ 4.03Å; L83-F87 WeakPolarHBondContact O-CD2 3.45Å; I84-F87 WeakPolarHBondContact O-CD2 3.37Å; I84-F87 PolarHBondContact O-N 2.99Å; F87-K92 HydrophobicContact CB-CB 4.24Å; F87-K92 HydrophobicContact CD1-CB 3.98Å; F87-K92 HydrophobicContact CG-CB 4.42Å; F87-Q93 HydrophobicContact CB-CG 3.81Å; F87-Q93 PolarHBondContact O-NE2 3.11Å; F87-Y96 HydrophobicContact CE2-CD1 4.34Å; F87-Y96 AromaticContact CE2-CD2 3.93Å; F87-Y96 HydrophobicContact CE2-CD2 3.93Å; F87-Y96 HydrophobicContact CE2-CE2 4.44Å; F87-Y96 AromaticContact CE2-CG 3.86Å; F87-Y96 HydrophobicContact CE2-CG 3.86Å; F87-Y96 HydrophobicContact CZ-CD2 4.04Å; F87-Y96 HydrophobicContact CZ-CG 4.31Å
88Q81.4Confident88.2Confident105 Ų10532 Ų3249%0.49116%0.161SC..  trans-94.2-43.6-176.7-65168.243.300111.4R137Q88-R137 PolarHBondContact O-NH2 3.36Å; Q88-R137 VanDerWaalsContact O-NH2 3.1Å
89D84.7Confident88.5Confident70 Ų7029.5 Ų29.537%0.37415%0.148SC..SBendtrans-80.6136.5-177.7-36.4-104000111.9D91 K92 Q93D89-D91 VanDerWaalsContact C-N 3.31Å; D89-D91 PolarHBondContact O-N 2.83Å; D89-K92 HydrophobicContact CB-CB 4.39Å; D89-K92 HydrophobicContact CB-CD 4.19Å; D89-K92 HydrophobicContact CB-CG 4.14Å; D89-K92 PolarHBondContact O-N 3.46Å; D89-K92 VanDerWaalsContact O-N 3.17Å; D89-K92 IonicContact OD1-NZ 2.71Å; D89-K92 WeakPolarHBondContact OD2-CD 3.26Å; D89-K92 WeakPolarHBondContact OD2-CE 3.35Å; D89-K92 IonicContact OD2-NZ 2.61Å; D89-K92 PolarHBondContact OD2-NZ 3.22Å; D89-Q93 WeakPolarHBondContact O-CG 3.36Å; D89-Q93 PolarHBondContact O-N 2.91Å
90L85.7Confident88.9Confident15 Ų1527.2 Ų27.28%0.07914%0.138CC..Hα-helixtrans-53.9-47.5176.5-177.485.9000111.5K92 Q93 L94 V133 A143 K146L90-K92 PolarHBondContact O-N 3.04Å; L90-Q93 CarbonylContact O-C 3.59Å; L90-Q93 WeakPolarHBondContact O-CA 3.25Å; L90-Q93 WeakPolarHBondContact O-CB 3.32Å; L90-Q93 PolarHBondContact O-N 3.07Å; L90-L94 HydrophobicContact CD2-CD1 4.02Å; L90-L94 HydrophobicContact CG-CD1 3.93Å; L90-L94 HydrophobicContact CG-CG 4.28Å; L90-L94 WeakPolarHBondContact O-CG 3.38Å; L90-L94 PolarHBondContact O-N 2.87Å; L90-V133 HydrophobicContact CD1-CG1 4.45Å; L90-A143 HydrophobicContact CD1-CB 3.71Å; L90-A143 HydrophobicContact CD2-CB 3.95Å; L90-K146 HydrophobicContact CD2-CD 3.6Å
91D87.3Confident89Confident89 Ų8927.3 Ų27.348%0.47614%0.138SC..Hα-helixtrans-66.7-26.1-174.6-57-46.6000112.2D89 M95 K146D89-D91 VanDerWaalsContact C-N 3.31Å; D89-D91 PolarHBondContact O-N 2.83Å; D91-M95 VanDerWaalsContact O-CB 3.24Å; D91-M95 WeakPolarHBondContact O-CB 3.32Å; D91-M95 PolarHBondContact O-N 3.05Å; D91-K146 IonicContact OD1-NZ 2.79Å; D91-K146 PolarHBondContact OD1-NZ 2.98Å; D91-K146 IonicContact OD2-NZ 3.82Å; D91-K146 PolarHBondContact OD2-NZ 3.28Å
92K88.1Confident89.1Confident33 Ų3330.6 Ų30.614%0.14315%0.153CC..Hα-helixtrans-78.3-34.6171.7-61.6179.1-161.9152.50111.9F87 D89 L90 Y96F87-K92 HydrophobicContact CB-CB 4.24Å; F87-K92 HydrophobicContact CD1-CB 3.98Å; F87-K92 HydrophobicContact CG-CB 4.42Å; D89-K92 HydrophobicContact CB-CB 4.39Å; D89-K92 HydrophobicContact CB-CD 4.19Å; D89-K92 HydrophobicContact CB-CG 4.14Å; D89-K92 PolarHBondContact O-N 3.46Å; D89-K92 VanDerWaalsContact O-N 3.17Å; D89-K92 IonicContact OD1-NZ 2.71Å; D89-K92 WeakPolarHBondContact OD2-CD 3.26Å; D89-K92 WeakPolarHBondContact OD2-CE 3.35Å; D89-K92 IonicContact OD2-NZ 2.61Å; D89-K92 PolarHBondContact OD2-NZ 3.22Å; L90-K92 PolarHBondContact O-N 3.04Å; K92-Y96 PolarHBondContact O-N 3.02Å; K92-Y96 VanDerWaalsContact O-N 3.1Å
93Q90.6Very high89.2Confident11 Ų1128.8 Ų28.85%0.05114%0.142CC..Hα-helixtrans-63.8-44.7172.2-67167.8-24.500110.8I84 F87 D89 L90 Y96 L97 V133I84-Q93 HydrophobicContact CD1-CB 4.42Å; I84-Q93 HydrophobicContact CG1-CB 3.97Å; I84-Q93 HydrophobicContact CG1-CG 4.31Å; F87-Q93 HydrophobicContact CB-CG 3.81Å; F87-Q93 PolarHBondContact O-NE2 3.11Å; D89-Q93 WeakPolarHBondContact O-CG 3.36Å; D89-Q93 PolarHBondContact O-N 2.91Å; L90-Q93 CarbonylContact O-C 3.59Å; L90-Q93 WeakPolarHBondContact O-CA 3.25Å; L90-Q93 WeakPolarHBondContact O-CB 3.32Å; L90-Q93 PolarHBondContact O-N 3.07Å; Q93-Y96 WeakPolarHBondContact O-CB 3.3Å; Q93-Y96 PolarHBondContact O-N 3.42Å; Q93-L97 PolarHBondContact O-N 3.09Å; Q93-V133 HydrophobicContact CB-CG1 4.32Å; Q93-V133 VanDerWaalsContact OE1-CG1 3.26Å
94L90.3Very high89.3Confident18 Ų1828.9 Ų28.99%0.09414%0.143CC..Hα-helixtrans-69.1-40.5175.9-66.8177.3000112.2L90 Y96 L97 E98 K146 F147 L150L90-L94 HydrophobicContact CD2-CD1 4.02Å; L90-L94 HydrophobicContact CG-CD1 3.93Å; L90-L94 HydrophobicContact CG-CG 4.28Å; L90-L94 WeakPolarHBondContact O-CG 3.38Å; L90-L94 PolarHBondContact O-N 2.87Å; L94-Y96 PolarHBondContact O-N 3.28Å; L94-L97 CarbonylContact O-C 3.55Å; L94-L97 WeakPolarHBondContact O-CA 3.2Å; L94-L97 WeakPolarHBondContact O-CB 3.46Å; L94-L97 PolarHBondContact O-N 2.99Å; L94-E98 PolarHBondContact O-N 2.68Å; L94-K146 HydrophobicContact CD1-CB 3.57Å; L94-K146 HydrophobicContact CD1-CD 4.3Å; L94-F147 HydrophobicContact CD2-CB 4.12Å; L94-F147 HydrophobicContact CD2-CD2 4.19Å; L94-L150 HydrophobicContact CB-CD1 4.01Å; L94-L150 HydrophobicContact CD2-CD1 4.41Å; L94-L150 WeakPolarHBondContact O-CD1 2.93Å
95M90.4Very high89.3Confident57 Ų5730.4 Ų30.428%0.28115%0.149SC..Hα-helixtrans-60.9-31.1173.4-170.6-174.6-6700112.7L51 D91 E98 S99L51-M95 HydrophobicContact CD2-CB 4.34Å; L51-M95 HydrophobicContact CD2-CG 4.04Å; L51-M95 HydrophobicContact CD2-SD 4.46Å; D91-M95 VanDerWaalsContact O-CB 3.24Å; D91-M95 WeakPolarHBondContact O-CB 3.32Å; D91-M95 PolarHBondContact O-N 3.05Å; M95-E98 PolarHBondContact O-N 3.27Å; M95-S99 VanDerWaalsContact O-CB 3.32Å; M95-S99 WeakPolarHBondContact O-CB 3.38Å; M95-S99 PolarHBondContact O-N 3.19Å; M95-S99 PolarHBondContact O-OG 3.43Å
96Y91.6Very high89.4Confident2 Ų234.4 Ų34.41%0.00816%0.162CC..Hα-helixtrans-66.7-39.9172.3-176.7-113000112L51 W55 L58 I80 L83 I84 F87 K92 Q93 L94 F100 M126L51-Y96 HydrophobicContact CD1-CD2 3.89Å; L51-Y96 HydrophobicContact CD2-CD2 4.31Å; L51-Y96 HydrophobicContact CG-CD2 4.12Å; W55-Y96 HydrophobicContact CD2-CE2 4.4Å; W55-Y96 AromaticContact CE2-CD2 3.91Å; W55-Y96 AromaticContact CE2-CE2 3.45Å; W55-Y96 VanDerWaalsContact CE2-CE2 3.45Å; W55-Y96 AromaticContact CE2-CZ 3.65Å; W55-Y96 HydrophobicContact CH2-CE1 4.41Å; W55-Y96 HydrophobicContact CZ2-CD1 4.18Å; W55-Y96 HydrophobicContact CZ2-CD2 4.21Å; W55-Y96 AromaticContact CZ2-CE1 3.57Å; W55-Y96 HydrophobicContact CZ2-CE1 3.57Å; W55-Y96 AromaticContact CZ2-CE2 3.59Å; W55-Y96 HydrophobicContact CZ2-CE2 3.59Å; W55-Y96 HydrophobicContact CZ2-CG 4.48Å; W55-Y96 AromaticContact CZ2-CZ 3.23Å; W55-Y96 WeakPolarHBondContact CZ2-OH 3.22Å; W55-Y96 AromaticContact NE1-CD2 3.26Å; W55-Y96 VanDerWaalsContact NE1-CD2 3.26Å; W55-Y96 AromaticContact NE1-CE2 3.27Å; W55-Y96 VanDerWaalsContact NE1-CE2 3.27Å; W55-Y96 AromaticContact NE1-CG 3.89Å; W55-Y96 AromaticContact NE1-CZ 3.9Å; W55-Y96 PolarHBondContact NE1-O 3.12Å; L58-Y96 HydrophobicContact CD1-CE2 4.23Å; I80-Y96 PolarHBondContact O-OH 2.92Å; L83-Y96 HydrophobicContact CB-CE1 4.29Å; I84-Y96 HydrophobicContact CB-CD1 3.91Å; I84-Y96 HydrophobicContact CB-CE1 4.19Å; I84-Y96 HydrophobicContact CD1-CD1 4.42Å; I84-Y96 HydrophobicContact CG1-CD1 3.98Å; F87-Y96 HydrophobicContact CE2-CD1 4.34Å; F87-Y96 AromaticContact CE2-CD2 3.93Å; F87-Y96 HydrophobicContact CE2-CD2 3.93Å; F87-Y96 HydrophobicContact CE2-CE2 4.44Å; F87-Y96 AromaticContact CE2-CG 3.86Å; F87-Y96 HydrophobicContact CE2-CG 3.86Å; F87-Y96 HydrophobicContact CZ-CD2 4.04Å; F87-Y96 HydrophobicContact CZ-CG 4.31Å; K92-Y96 PolarHBondContact O-N 3.02Å; K92-Y96 VanDerWaalsContact O-N 3.1Å; Q93-Y96 WeakPolarHBondContact O-CB 3.3Å; Q93-Y96 PolarHBondContact O-N 3.42Å; L94-Y96 PolarHBondContact O-N 3.28Å; Y96-F100 WeakPolarHBondContact O-CB 3.18Å; Y96-F100 PolarHBondContact O-N 2.89Å; Y96-F100 VanDerWaalsContact O-N 3.09Å; Y96-M126 HydrophobicContact CD1-CE 4.26Å; Y96-M126 HydrophobicContact CE1-CE 4.05Å; Y96-M126 HydrophobicContact CE1-SD 4.35Å
97L92.4Very high89.6Confident1 Ų135.6 Ų35.61%0.00517%0.166CC..Hα-helixtrans-70.2-36.5173.3-179.165.2000112.5Q93 L94 F100 F101 M126 F147 L150Q93-L97 PolarHBondContact O-N 3.09Å; L94-L97 CarbonylContact O-C 3.55Å; L94-L97 WeakPolarHBondContact O-CA 3.2Å; L94-L97 WeakPolarHBondContact O-CB 3.46Å; L94-L97 PolarHBondContact O-N 2.99Å; L97-F100 HydrophobicContact CD1-CD1 4.01Å; L97-F100 WeakPolarHBondContact O-CB 3.28Å; L97-F100 PolarHBondContact O-N 2.9Å; L97-F101 HydrophobicContact CD1-CD2 4.26Å; L97-F101 HydrophobicContact CD1-CE2 3.64Å; L97-F101 HydrophobicContact CD1-CZ 3.96Å; L97-F101 HydrophobicContact CD2-CE2 4.04Å; L97-F101 HydrophobicContact CG-CD2 4.06Å; L97-F101 HydrophobicContact CG-CE2 3.57Å; L97-F101 HydrophobicContact CG-CZ 4.36Å; L97-F101 WeakPolarHBondContact O-CD2 3.38Å; L97-F101 PolarHBondContact O-N 2.6Å; L97-M126 HydrophobicContact CD1-CE 4.18Å; L97-F147 HydrophobicContact CD2-CD2 3.78Å; L97-F147 HydrophobicContact CD2-CE2 3.6Å; L97-L150 HydrophobicContact CD2-CD2 4.04Å; L97-L150 HydrophobicContact CG-CD2 4.11Å
98E91.3Very high89.8Confident61 Ų6136 Ų3629%0.28517%0.168SC..Hα-helixtrans-60.8-52.2174.3-158.7-152.9147.200110.5L94 M95 F100 F101 Q102 L150 H154L94-E98 PolarHBondContact O-N 2.68Å; M95-E98 PolarHBondContact O-N 3.27Å; E98-F100 PolarHBondContact O-N 2.98Å; E98-F101 PolarHBondContact O-N 3.22Å; E98-F101 VanDerWaalsContact O-N 3.11Å; E98-Q102 WeakPolarHBondContact O-CG 3.45Å; E98-Q102 PolarHBondContact O-N 3.14Å; E98-Q102 PolarHBondContact OE1-NE2 2.95Å; E98-L150 HydrophobicContact CB-CD1 4.06Å; E98-H154 WeakPolarHBondContact CG-NE2 3.47Å; E98-H154 IonicContact OE1-NE2 2.77Å
99S92.6Very high90.2Very high1 Ų136.9 Ų36.91%0.00718%0.181CC..Hα-helixtrans-61.3-31.5178.2-57.60000112.4W55 M95 T103W55-S99 VanDerWaalsContact CD1-CB 3.42Å; M95-S99 VanDerWaalsContact O-CB 3.32Å; M95-S99 WeakPolarHBondContact O-CB 3.38Å; M95-S99 PolarHBondContact O-N 3.19Å; M95-S99 PolarHBondContact O-OG 3.43Å; S99-T103 VanDerWaalsContact O-CB 3.29Å; S99-T103 WeakPolarHBondContact O-CB 3.28Å; S99-T103 PolarHBondContact O-N 3Å; S99-T103 PolarHBondContact O-OG1 3.06Å
100F93.2Very high90.3Very high2 Ų236 Ų361%0.00919%0.189CC..Hα-helixtrans-64.4-52.5171.2169.1-109.1000111.7W55 Y96 L97 E98 Q102 T103 L104 L122 V123 M126W55-F100 HydrophobicContact CD2-CB 4.3Å; W55-F100 HydrophobicContact CE3-CD2 4.21Å; W55-F100 HydrophobicContact CH2-CB 4.2Å; W55-F100 AromaticContact CH2-CD2 3.44Å; W55-F100 HydrophobicContact CH2-CD2 3.44Å; W55-F100 VanDerWaalsContact CH2-CD2 3.44Å; W55-F100 HydrophobicContact CH2-CE2 4.17Å; W55-F100 HydrophobicContact CH2-CG 4.16Å; W55-F100 HydrophobicContact CZ2-CB 3.6Å; W55-F100 AromaticContact CZ2-CD2 3.77Å; W55-F100 HydrophobicContact CZ2-CD2 3.77Å; W55-F100 HydrophobicContact CZ2-CG 4.03Å; W55-F100 AromaticContact CZ3-CD2 3.69Å; W55-F100 HydrophobicContact CZ3-CD2 3.69Å; W55-F100 HydrophobicContact CZ3-CE2 4.33Å; Y96-F100 WeakPolarHBondContact O-CB 3.18Å; Y96-F100 PolarHBondContact O-N 2.89Å; Y96-F100 VanDerWaalsContact O-N 3.09Å; L97-F100 HydrophobicContact CD1-CD1 4.01Å; L97-F100 WeakPolarHBondContact O-CB 3.28Å; L97-F100 PolarHBondContact O-N 2.9Å; E98-F100 PolarHBondContact O-N 2.98Å; F100-Q102 PolarHBondContact O-N 3.24Å; F100-T103 PolarHBondContact O-N 3.19Å; F100-L104 HydrophobicContact CD2-CD1 4.29Å; F100-L104 HydrophobicContact CD2-CG 4.24Å; F100-L104 HydrophobicContact CE1-CD1 3.89Å; F100-L104 HydrophobicContact CE2-CD1 3.48Å; F100-L104 VanDerWaalsContact CE2-CD1 3.48Å; F100-L104 HydrophobicContact CE2-CD2 4.47Å; F100-L104 HydrophobicContact CE2-CG 3.81Å; F100-L104 HydrophobicContact CZ-CD1 3.25Å; F100-L104 HydrophobicContact CZ-CG 4.08Å; F100-L104 PolarHBondContact O-N 3.38Å; F100-L122 HydrophobicContact CE2-CD2 4Å; F100-L122 HydrophobicContact CE2-CG 4.09Å; F100-V123 HydrophobicContact CZ-CB 4.47Å; F100-V123 HydrophobicContact CZ-CG2 4.03Å; F100-M126 HydrophobicContact CB-CE 4.24Å; F100-M126 HydrophobicContact CD1-CB 4.36Å; F100-M126 HydrophobicContact CD1-CE 4.2Å; F100-M126 HydrophobicContact CD1-CG 4.4Å; F100-M126 HydrophobicContact CD2-CE 4.42Å; F100-M126 HydrophobicContact CD2-CG 4.13Å; F100-M126 HydrophobicContact CE1-CB 3.77Å; F100-M126 HydrophobicContact CE1-CG 4.01Å; F100-M126 HydrophobicContact CE2-CB 4.36Å; F100-M126 HydrophobicContact CE2-CG 3.72Å; F100-M126 HydrophobicContact CG-CE 4.04Å; F100-M126 HydrophobicContact CG-CG 4.43Å; F100-M126 HydrophobicContact CZ-CB 3.76Å; F100-M126 HydrophobicContact CZ-CG 3.64Å
101F91.4Very high90.5Very high2 Ų236 Ų361%0.00919%0.188CC..Hα-helixtrans-62.6-42.5178.4-72.5-56.4000112.4L97 E98 T103 L104 K105 F127 L150 L151 H154 L155 I170L97-F101 HydrophobicContact CD1-CD2 4.26Å; L97-F101 HydrophobicContact CD1-CE2 3.64Å; L97-F101 HydrophobicContact CD1-CZ 3.96Å; L97-F101 HydrophobicContact CD2-CE2 4.04Å; L97-F101 HydrophobicContact CG-CD2 4.06Å; L97-F101 HydrophobicContact CG-CE2 3.57Å; L97-F101 HydrophobicContact CG-CZ 4.36Å; L97-F101 WeakPolarHBondContact O-CD2 3.38Å; L97-F101 PolarHBondContact O-N 2.6Å; E98-F101 PolarHBondContact O-N 3.22Å; E98-F101 VanDerWaalsContact O-N 3.11Å; F101-T103 VanDerWaalsContact C-N 3.32Å; F101-T103 PolarHBondContact O-N 2.82Å; F101-L104 PolarHBondContact O-N 2.84Å; F101-K105 WeakPolarHBondContact O-CB 3.34Å; F101-K105 VanDerWaalsContact O-CG 3.29Å; F101-K105 WeakPolarHBondContact O-CG 3.43Å; F101-K105 PolarHBondContact O-N 3.33Å; F101-F127 AromaticContact CE1-CE2 3.81Å; F101-F127 HydrophobicContact CE1-CE2 3.81Å; F101-F127 AromaticContact CE1-CZ 3.92Å; F101-F127 HydrophobicContact CE1-CZ 3.92Å; F101-F127 AromaticContact CZ-CE2 3.78Å; F101-F127 HydrophobicContact CZ-CE2 3.78Å; F101-F127 AromaticContact CZ-CZ 3.58Å; F101-F127 HydrophobicContact CZ-CZ 3.58Å; F101-L150 HydrophobicContact CD2-CD2 3.6Å; F101-L150 HydrophobicContact CE2-CD2 3.55Å; F101-L151 HydrophobicContact CE2-CD2 3.74Å; F101-L151 HydrophobicContact CZ-CD2 3.62Å; F101-H154 HydrophobicContact CB-CB 4.07Å; F101-H154 HydrophobicContact CD2-CB 4.26Å; F101-H154 HydrophobicContact CG-CB 4.2Å; F101-L155 HydrophobicContact CD1-CD2 4.31Å; F101-L155 HydrophobicContact CE1-CD2 4.21Å; F101-I170 HydrophobicContact CD1-CD1 4.5Å; F101-I170 HydrophobicContact CE1-CD1 3.92Å
102Q91.5Very high90.6Very high69 Ų6935.3 Ų35.332%0.32219%0.185SC..Hα-helixtrans-58.8-43.4174.4-69-1702600111.7L52 E98 F100 R106L52-Q102 HydrophobicContact CD2-CB 3.89Å; E98-Q102 WeakPolarHBondContact O-CG 3.45Å; E98-Q102 PolarHBondContact O-N 3.14Å; E98-Q102 PolarHBondContact OE1-NE2 2.95Å; F100-Q102 PolarHBondContact O-N 3.24Å; Q102-R106 PolarHBondContact O-N 3.45Å
103T92Very high90.6Very high2 Ų243.6 Ų43.61%0.01222%0.215CC..Hα-helixtrans-66.3-49.1178-600000111.5W55 F59 S99 F100 F101 R106 E107W55-T103 HydrophobicContact CB-CG2 4.37Å; W55-T103 WeakPolarHBondContact CB-OG1 3.43Å; F59-T103 HydrophobicContact CB-CG2 4.33Å; S99-T103 VanDerWaalsContact O-CB 3.29Å; S99-T103 WeakPolarHBondContact O-CB 3.28Å; S99-T103 PolarHBondContact O-N 3Å; S99-T103 PolarHBondContact O-OG1 3.06Å; F100-T103 PolarHBondContact O-N 3.19Å; F101-T103 VanDerWaalsContact C-N 3.32Å; F101-T103 PolarHBondContact O-N 2.82Å; T103-R106 PolarHBondContact O-N 2.73Å; T103-E107 HydrophobicContact CG2-CG 4.35Å; T103-E107 WeakPolarHBondContact O-CG 3.12Å; T103-E107 PolarHBondContact O-N 2.75Å; T103-E107 VanDerWaalsContact O-N 3.12Å
104L90.8Very high90.4Very high3 Ų349.8 Ų49.82%0.01625%0.248CC..Hα-helixtrans-62.7-46178.9-76.7-168.6000112.2F59 F100 F101 R106 E107 W108 V123 L166F59-L104 HydrophobicContact CD2-CD2 4.38Å; F59-L104 HydrophobicContact CE2-CD2 4.38Å; F100-L104 HydrophobicContact CD2-CD1 4.29Å; F100-L104 HydrophobicContact CD2-CG 4.24Å; F100-L104 HydrophobicContact CE1-CD1 3.89Å; F100-L104 HydrophobicContact CE2-CD1 3.48Å; F100-L104 VanDerWaalsContact CE2-CD1 3.48Å; F100-L104 HydrophobicContact CE2-CD2 4.47Å; F100-L104 HydrophobicContact CE2-CG 3.81Å; F100-L104 HydrophobicContact CZ-CD1 3.25Å; F100-L104 HydrophobicContact CZ-CG 4.08Å; F100-L104 PolarHBondContact O-N 3.38Å; F101-L104 PolarHBondContact O-N 2.84Å; L104-R106 PolarHBondContact O-N 3.28Å; L104-R106 VanDerWaalsContact O-N 3.14Å; L104-E107 PolarHBondContact O-N 2.81Å; L104-W108 HydrophobicContact CD1-CZ3 4.42Å; L104-W108 HydrophobicContact CD2-CE3 4.44Å; L104-W108 WeakPolarHBondContact O-CB 3.47Å; L104-W108 PolarHBondContact O-N 3.49Å; L104-V123 HydrophobicContact CD1-CG2 3.47Å; L104-V123 VanDerWaalsContact CD1-CG2 3.47Å; L104-L166 HydrophobicContact CB-CD2 4.06Å; L104-L166 HydrophobicContact CD1-CD1 4.13Å
105K90.3Very high90.1Very high34 Ų3451.8 Ų51.815%0.14825%0.254CS..Hα-helixtrans-49.7-42.1177-82.7177.5169.6-122.40112.9F101 H154 E161 T162 P163 L166F101-K105 WeakPolarHBondContact O-CB 3.34Å; F101-K105 VanDerWaalsContact O-CG 3.29Å; F101-K105 WeakPolarHBondContact O-CG 3.43Å; F101-K105 PolarHBondContact O-N 3.33Å; K105-H154 WeakPolarHBondContact CE-O 3.32Å; K105-H154 PolarHBondContact NZ-O 3.08Å; K105-E161 WeakPolarHBondContact CD-O 3.27Å; K105-E161 PolarHBondContact NZ-O 3.31Å; K105-T162 VanDerWaalsContact CE-OG1 3.31Å; K105-T162 WeakPolarHBondContact CE-OG1 3.36Å; K105-T162 PolarHBondContact NZ-OG1 3.13Å; K105-P163 WeakPolarHBondContact O-CG 3.47Å; K105-L166 HydrophobicContact CG-CD2 4.41Å
106R89.9Confident90Very high131 Ų13150.3 Ų50.349%0.49425%0.247SC..Hα-helixtrans-73.6-44.6-179.2-171.5-178.167-125-7.7112.9Q102 T103 L104Q102-R106 PolarHBondContact O-N 3.45Å; T103-R106 PolarHBondContact O-N 2.73Å; L104-R106 PolarHBondContact O-N 3.28Å; L104-R106 VanDerWaalsContact O-N 3.14Å
107E90.4Very high89.8Confident37 Ų3754.1 Ų54.117%0.17327%0.267CS..Hα-helixtrans-89.8-17.9-171.7-50.8-66.4151.500113.7F59 T103 L104 T109 G110 I111F59-E107 HydrophobicContact CD1-CG 4.26Å; F59-E107 HydrophobicContact CD2-CB 4.35Å; F59-E107 HydrophobicContact CD2-CG 4.41Å; F59-E107 HydrophobicContact CE1-CB 3.92Å; F59-E107 HydrophobicContact CE1-CG 4.02Å; F59-E107 HydrophobicContact CE2-CB 3.67Å; F59-E107 HydrophobicContact CE2-CG 4.19Å; F59-E107 HydrophobicContact CG-CG 4.46Å; F59-E107 HydrophobicContact CZ-CB 3.42Å; F59-E107 VanDerWaalsContact CZ-CB 3.42Å; F59-E107 HydrophobicContact CZ-CG 4Å; T103-E107 HydrophobicContact CG2-CG 4.35Å; T103-E107 WeakPolarHBondContact O-CG 3.12Å; T103-E107 PolarHBondContact O-N 2.75Å; T103-E107 VanDerWaalsContact O-N 3.12Å; L104-E107 PolarHBondContact O-N 2.81Å; E107-T109 VanDerWaalsContact C-N 3.35Å; E107-T109 PolarHBondContact O-N 3.47Å; E107-G110 WeakPolarHBondContact O-CA 3.47Å; E107-G110 PolarHBondContact O-N 3.03Å; E107-I111 PolarHBondContact O-N 3.18Å
108W90.4Very high89.6Confident13 Ų1354.3 Ų54.35%0.04927%0.268CS..G310 helixtrans-54.9-43.4-169.1-169.2-96.7000114.5L104 G110 I111 M116 F119 Y120 V123 P163 L166L104-W108 HydrophobicContact CD1-CZ3 4.42Å; L104-W108 HydrophobicContact CD2-CE3 4.44Å; L104-W108 WeakPolarHBondContact O-CB 3.47Å; L104-W108 PolarHBondContact O-N 3.49Å; W108-G110 PolarHBondContact O-N 3.19Å; W108-I111 HydrophobicContact CD2-CD1 4.3Å; W108-I111 HydrophobicContact CE3-CD1 3.83Å; W108-I111 HydrophobicContact CZ3-CD1 4.41Å; W108-I111 WeakPolarHBondContact O-CB 3.37Å; W108-I111 PolarHBondContact O-N 2.93Å; W108-I111 VanDerWaalsContact O-N 3.14Å; W108-M116 HydrophobicContact CD2-SD 4.3Å; W108-M116 HydrophobicContact CE3-SD 4.46Å; W108-M116 HydrophobicContact CH2-SD 3.97Å; W108-M116 HydrophobicContact CZ2-SD 3.77Å; W108-M116 HydrophobicContact CZ3-SD 4.3Å; W108-F119 HydrophobicContact CZ3-CB 4.42Å; W108-Y120 AromaticContact CH2-CD1 3.69Å; W108-Y120 HydrophobicContact CH2-CD1 3.69Å; W108-Y120 AromaticContact CH2-CE1 3.7Å; W108-Y120 HydrophobicContact CH2-CE1 3.7Å; W108-Y120 HydrophobicContact CZ2-CD1 4.09Å; W108-Y120 AromaticContact CZ2-CE1 3.59Å; W108-Y120 HydrophobicContact CZ2-CE1 3.59Å; W108-V123 HydrophobicContact CZ3-CG2 4.25Å; W108-P163 HydrophobicContact CB-CB 4.23Å; W108-P163 HydrophobicContact CB-CG 4.05Å; W108-P163 HydrophobicContact CG-CB 4.14Å; W108-P163 HydrophobicContact CG-CG 4.47Å; W108-L166 HydrophobicContact CD2-CB 3.81Å; W108-L166 HydrophobicContact CD2-CD1 4.25Å; W108-L166 HydrophobicContact CD2-CG 4.45Å; W108-L166 HydrophobicContact CE3-CB 4.29Å; W108-L166 HydrophobicContact CE3-CD1 3.84Å; W108-L166 HydrophobicContact CE3-CG 4.46Å; W108-L166 HydrophobicContact CG-CB 4.09Å; W108-L166 HydrophobicContact CH2-CD1 3.87Å; W108-L166 HydrophobicContact CZ2-CB 4.07Å; W108-L166 HydrophobicContact CZ2-CD1 4.27Å; W108-L166 HydrophobicContact CZ3-CD1 3.66Å
109T88.8Confident89.5Confident123 Ų12351.5 Ų51.576%0.75526%0.255SS*.G310 helixtrans-70.7-14.9179.451.10000113.2E107 P163E107-T109 VanDerWaalsContact C-N 3.35Å; E107-T109 PolarHBondContact O-N 3.47Å; T109-P163 HydrophobicContact CG2-CB 4.35Å; T109-P163 HydrophobicContact CG2-CG 4.35Å
110G88Confident89.4Confident53 Ų5355.7 Ų55.755%0.54627%0.271SS..G310 helixtrans-90.3-5.2171.800000114.5W63 E107 W108 D112W63-G110 WeakPolarHBondContact CH2-O 3.47Å; E107-G110 WeakPolarHBondContact O-CA 3.47Å; E107-G110 PolarHBondContact O-N 3.03Å; W108-G110 PolarHBondContact O-N 3.19Å; G110-D112 PolarHBondContact O-N 3.26Å
111I89.7Confident89.2Confident13 Ų1357.9 Ų57.97%0.06728%0.281CS..  trans-78.6114.8-179.6-58.2171000110.1F59 W63 E107 W108 R115 M116 F119F59-I111 HydrophobicContact CE2-CD1 4.18Å; F59-I111 HydrophobicContact CE2-CG1 4.38Å; F59-I111 HydrophobicContact CZ-CD1 4.43Å; F59-I111 HydrophobicContact CZ-CG1 4.12Å; W63-I111 HydrophobicContact CZ3-CG1 4.37Å; E107-I111 PolarHBondContact O-N 3.18Å; W108-I111 HydrophobicContact CD2-CD1 4.3Å; W108-I111 HydrophobicContact CE3-CD1 3.83Å; W108-I111 HydrophobicContact CZ3-CD1 4.41Å; W108-I111 WeakPolarHBondContact O-CB 3.37Å; W108-I111 PolarHBondContact O-N 2.93Å; W108-I111 VanDerWaalsContact O-N 3.14Å; I111-R115 HydrophobicContact CG2-CB 4.14Å; I111-M116 HydrophobicContact CB-CE 3.71Å; I111-M116 HydrophobicContact CB-SD 4Å; I111-M116 HydrophobicContact CD1-SD 4.14Å; I111-M116 HydrophobicContact CG2-CB 4.19Å; I111-M116 HydrophobicContact CG2-CE 3.8Å; I111-M116 HydrophobicContact CG2-SD 3.68Å; I111-F119 HydrophobicContact CD1-CB 4.07Å; I111-F119 HydrophobicContact CD1-CD1 4.37Å; I111-F119 HydrophobicContact CD1-CD2 3.74Å; I111-F119 HydrophobicContact CD1-CE2 4.23Å; I111-F119 HydrophobicContact CD1-CG 3.81Å; I111-F119 HydrophobicContact CG1-CD2 4.14Å; I111-F119 HydrophobicContact CG1-CE2 4.25Å; I111-F119 HydrophobicContact CG2-CD2 3.61Å; I111-F119 HydrophobicContact CG2-CE2 4Å
112D89.7Confident89.1Confident75 Ų7557.9 Ų57.940%0.40128%0.281SS..  trans-63.7147.8172.5176.478.8000112.4G110 L114 R115 M116G110-D112 PolarHBondContact O-N 3.26Å; D112-L114 PolarHBondContact O-N 3.14Å; D112-L114 VanDerWaalsContact O-N 3.13Å; D112-L114 VanDerWaalsContact OD2-CB 3.23Å; D112-L114 WeakPolarHBondContact OD2-CB 3.38Å; D112-L114 WeakPolarHBondContact OD2-CG 3.42Å; D112-L114 PolarHBondContact OD2-N 3.4Å; D112-R115 WeakPolarHBondContact O-CA 3.34Å; D112-R115 PolarHBondContact O-N 3.23Å; D112-M116 PolarHBondContact O-N 3.03Å; D112-M116 VanDerWaalsContact O-N 3.1Å
113R86.8Confident89.2Confident207 Ų20754.6 Ų54.678%0.78127%0.266SS*.Hα-helixtrans-54.3-35-177.7-164.6-175.476.190.1-1.7113.5R115R113-R115 PolarHBondContact O-N 3.32Å
114L86.1Confident89.2Confident141 Ų14158.9 Ų58.974%0.73828%0.282SS*.Hα-helixtrans-72.6-11.8178.2-56.9176.2000113.1D112D112-L114 PolarHBondContact O-N 3.14Å; D112-L114 VanDerWaalsContact O-N 3.13Å; D112-L114 VanDerWaalsContact OD2-CB 3.23Å; D112-L114 WeakPolarHBondContact OD2-CB 3.38Å; D112-L114 WeakPolarHBondContact OD2-CG 3.42Å; D112-L114 PolarHBondContact OD2-N 3.4Å
115R85.5Confident89.2Confident60 Ų6060 Ų6023%0.22629%0.287CS..Hα-helixtrans-109.7-14.4177.2-63.5-170.1177.583.13.9113.7D66 I111 D112 R113 D117 K118 F119D66-R115 IonicContact OD1-CZ 2.72Å; D66-R115 IonicContact OD1-NE 3.61Å; D66-R115 PolarHBondContact OD1-NE 3.37Å; D66-R115 IonicContact OD1-NH2 3.83Å; D66-R115 IonicContact OD2-CZ 3.77Å; D66-R115 IonicContact OD2-NE 3.07Å; D66-R115 IonicContact OD2-NH2 3.96Å; D66-R115 PolarHBondContact OD2-NH2 2.89Å; D66-R115 VanDerWaalsContact OD2-NH2 3.07Å; I111-R115 HydrophobicContact CG2-CB 4.14Å; D112-R115 WeakPolarHBondContact O-CA 3.34Å; D112-R115 PolarHBondContact O-N 3.23Å; R113-R115 PolarHBondContact O-N 3.32Å; R115-D117 PolarHBondContact O-N 3.16Å; R115-K118 WeakPolarHBondContact O-CG 3.27Å; R115-K118 PolarHBondContact O-N 2.92Å; R115-F119 HydrophobicContact CB-CE2 4.32Å; R115-F119 VanDerWaalsContact O-CD2 3.25Å; R115-F119 WeakPolarHBondContact O-CD2 3.29Å
116M87.8Confident89.4Confident27 Ų2758.3 Ų58.313%0.13328%0.28CS..Hα-helixtrans-60.2-42-174.2-163.867.575.200113.1W108 I111 D112 K118 F119 Y120W108-M116 HydrophobicContact CD2-SD 4.3Å; W108-M116 HydrophobicContact CE3-SD 4.46Å; W108-M116 HydrophobicContact CH2-SD 3.97Å; W108-M116 HydrophobicContact CZ2-SD 3.77Å; W108-M116 HydrophobicContact CZ3-SD 4.3Å; I111-M116 HydrophobicContact CB-CE 3.71Å; I111-M116 HydrophobicContact CB-SD 4Å; I111-M116 HydrophobicContact CD1-SD 4.14Å; I111-M116 HydrophobicContact CG2-CB 4.19Å; I111-M116 HydrophobicContact CG2-CE 3.8Å; I111-M116 HydrophobicContact CG2-SD 3.68Å; D112-M116 PolarHBondContact O-N 3.03Å; D112-M116 VanDerWaalsContact O-N 3.1Å; M116-K118 PolarHBondContact O-N 2.92Å; M116-F119 CarbonylContact O-C 3.58Å; M116-F119 WeakPolarHBondContact O-CA 3.27Å; M116-F119 PolarHBondContact O-N 3.34Å; M116-Y120 HydrophobicContact CB-CD2 4.43Å; M116-Y120 HydrophobicContact CB-CE2 4.1Å; M116-Y120 HydrophobicContact CG-CD1 4.36Å; M116-Y120 HydrophobicContact CG-CD2 3.81Å; M116-Y120 HydrophobicContact CG-CE1 3.97Å; M116-Y120 HydrophobicContact CG-CE2 3.33Å; M116-Y120 HydrophobicContact CG-CG 4.3Å; M116-Y120 VanDerWaalsContact CG-CZ 3.42Å; M116-Y120 PolarHBondContact O-N 2.74Å
117D87.8Confident89.5Confident81 Ų8152.1 Ų52.143%0.43326%0.256SS..Hα-helixtrans-43.5-51.1175.9149.9102.5000114.3K73 R115 F119 Y120 Q121K73-D117 WeakPolarHBondContact CE-OD2 3.44Å; K73-D117 IonicContact NZ-OD1 2.72Å; K73-D117 IonicContact NZ-OD2 3.27Å; K73-D117 PolarHBondContact NZ-OD2 3.04Å; R115-D117 PolarHBondContact O-N 3.16Å; D117-F119 VanDerWaalsContact C-N 3.3Å; D117-F119 PolarHBondContact O-N 3.21Å; D117-Y120 WeakPolarHBondContact O-CB 3.29Å; D117-Y120 PolarHBondContact O-N 2.97Å; D117-Q121 PolarHBondContact O-N 3.35Å
118K86.9Confident89.6Confident6 Ų653.7 Ų53.73%0.02626%0.26CS..Hα-helixtrans-70.4-24.5178.754.3175.8173.8-1770113.5L62 W63 Q65 D66 K73 R115 M116 L122L62-K118 HydrophobicContact CD1-CB 4.22Å; L62-K118 HydrophobicContact CD1-CD 4.12Å; L62-K118 HydrophobicContact CG-CD 4.17Å; L62-K118 HydrophobicContact CG-CG 4.44Å; L62-K118 WeakPolarHBondContact O-CE 3.29Å; L62-K118 PolarHBondContact O-NZ 3.46Å; W63-K118 PolarHBondContact O-NZ 2.87Å; Q65-K118 PolarHBondContact O-NZ 3.45Å; D66-K118 IonicContact OD1-NZ 3.42Å; D66-K118 PolarHBondContact OD1-NZ 2.92Å; K73-K118 HydrophobicContact CD-CB 4.35Å; R115-K118 WeakPolarHBondContact O-CG 3.27Å; R115-K118 PolarHBondContact O-N 2.92Å; M116-K118 PolarHBondContact O-N 2.92Å; K118-L122 PolarHBondContact O-N 2.91Å; K118-L122 VanDerWaalsContact O-N 3.13Å
119F89.5Confident89.7Confident1 Ų154.3 Ų54.30%0.00426%0.264CS..Hα-helixtrans-81.4-35.4173.7-68.9-71.7000111.9F59 L62 W63 W108 I111 R115 M116 D117 Q121 L122 V123F59-F119 HydrophobicContact CD2-CD1 4.21Å; F59-F119 AromaticContact CD2-CE1 3.44Å; F59-F119 HydrophobicContact CD2-CE1 3.44Å; F59-F119 VanDerWaalsContact CD2-CE1 3.44Å; F59-F119 AromaticContact CD2-CZ 3.98Å; F59-F119 HydrophobicContact CD2-CZ 3.98Å; F59-F119 HydrophobicContact CE1-CZ 4.39Å; F59-F119 AromaticContact CE2-CD1 3.96Å; F59-F119 HydrophobicContact CE2-CD1 3.96Å; F59-F119 AromaticContact CE2-CE1 3.32Å; F59-F119 HydrophobicContact CE2-CE1 3.32Å; F59-F119 HydrophobicContact CE2-CE2 4.36Å; F59-F119 AromaticContact CE2-CZ 3.56Å; F59-F119 HydrophobicContact CE2-CZ 3.56Å; F59-F119 HydrophobicContact CG-CE1 4.24Å; F59-F119 HydrophobicContact CZ-CE1 4.05Å; F59-F119 HydrophobicContact CZ-CE2 4.43Å; F59-F119 AromaticContact CZ-CZ 3.78Å; F59-F119 HydrophobicContact CZ-CZ 3.78Å; L62-F119 HydrophobicContact CB-CE1 4.29Å; L62-F119 HydrophobicContact CD2-CD1 3.79Å; L62-F119 HydrophobicContact CD2-CE1 3.79Å; L62-F119 HydrophobicContact CG-CE1 4.14Å; L62-F119 HydrophobicContact CG-CZ 4.47Å; W63-F119 HydrophobicContact CB-CZ 4.48Å; W63-F119 HydrophobicContact CE3-CE2 4.08Å; W63-F119 HydrophobicContact CE3-CZ 4.07Å; W108-F119 HydrophobicContact CZ3-CB 4.42Å; I111-F119 HydrophobicContact CD1-CB 4.07Å; I111-F119 HydrophobicContact CD1-CD1 4.37Å; I111-F119 HydrophobicContact CD1-CD2 3.74Å; I111-F119 HydrophobicContact CD1-CE2 4.23Å; I111-F119 HydrophobicContact CD1-CG 3.81Å; I111-F119 HydrophobicContact CG1-CD2 4.14Å; I111-F119 HydrophobicContact CG1-CE2 4.25Å; I111-F119 HydrophobicContact CG2-CD2 3.61Å; I111-F119 HydrophobicContact CG2-CE2 4Å; R115-F119 HydrophobicContact CB-CE2 4.32Å; R115-F119 VanDerWaalsContact O-CD2 3.25Å; R115-F119 WeakPolarHBondContact O-CD2 3.29Å; M116-F119 CarbonylContact O-C 3.58Å; M116-F119 WeakPolarHBondContact O-CA 3.27Å; M116-F119 PolarHBondContact O-N 3.34Å; D117-F119 VanDerWaalsContact C-N 3.3Å; D117-F119 PolarHBondContact O-N 3.21Å; F119-Q121 VanDerWaalsContact C-N 3.32Å; F119-Q121 PolarHBondContact O-N 3.02Å; F119-L122 HydrophobicContact CD1-CD2 4.46Å; F119-L122 PolarHBondContact O-N 2.91Å; F119-V123 WeakPolarHBondContact O-CG2 3.49Å; F119-V123 PolarHBondContact O-N 3.48Å
120Y90.5Very high89.8Confident90 Ų9048.6 Ų48.635%0.35323%0.229SC..Hα-helixtrans-56.1-46.3167.8-72-42.4000111.4W108 M116 D117 V123 R124 H169W108-Y120 AromaticContact CH2-CD1 3.69Å; W108-Y120 HydrophobicContact CH2-CD1 3.69Å; W108-Y120 AromaticContact CH2-CE1 3.7Å; W108-Y120 HydrophobicContact CH2-CE1 3.7Å; W108-Y120 HydrophobicContact CZ2-CD1 4.09Å; W108-Y120 AromaticContact CZ2-CE1 3.59Å; W108-Y120 HydrophobicContact CZ2-CE1 3.59Å; M116-Y120 HydrophobicContact CB-CD2 4.43Å; M116-Y120 HydrophobicContact CB-CE2 4.1Å; M116-Y120 HydrophobicContact CG-CD1 4.36Å; M116-Y120 HydrophobicContact CG-CD2 3.81Å; M116-Y120 HydrophobicContact CG-CE1 3.97Å; M116-Y120 HydrophobicContact CG-CE2 3.33Å; M116-Y120 HydrophobicContact CG-CG 4.3Å; M116-Y120 VanDerWaalsContact CG-CZ 3.42Å; M116-Y120 PolarHBondContact O-N 2.74Å; D117-Y120 WeakPolarHBondContact O-CB 3.29Å; D117-Y120 PolarHBondContact O-N 2.97Å; Y120-V123 PolarHBondContact O-N 3.42Å; Y120-R124 PolarHBondContact O-N 2.68Å; Y120-H169 WeakPolarHBondContact CA-NE2 3.46Å; Y120-H169 HydrophobicContact CD1-CB 3.97Å; Y120-H169 AromaticContact CD1-CD2 3.55Å; Y120-H169 AromaticContact CD1-CE1 3.54Å; Y120-H169 AromaticContact CD1-CG 3.32Å; Y120-H169 AromaticContact CD1-ND1 3.28Å; Y120-H169 VanDerWaalsContact CD1-ND1 3.28Å; Y120-H169 WeakPolarHBondContact CD1-ND1 3.29Å; Y120-H169 AromaticContact CD1-NE2 3.66Å; Y120-H169 HydrophobicContact CE1-CB 3.79Å; Y120-H169 AromaticContact CE1-CG 3.66Å; Y120-H169 AromaticContact CE1-ND1 3.73Å; Y120-H169 AromaticContact CG-CE1 3.77Å; Y120-H169 AromaticContact CG-ND1 3.86Å; Y120-H169 PolarHBondContact O-NE2 2.97Å
121Q88.7Confident90Very high47 Ų4746.1 Ų46.122%0.2220%0.203CC..Hα-helixtrans-67-34.5176.8-165.361.131.300113.1E74 D117 F119 R124 F125E74-Q121 HydrophobicContact CG-CG 4.48Å; D117-Q121 PolarHBondContact O-N 3.35Å; F119-Q121 VanDerWaalsContact C-N 3.32Å; F119-Q121 PolarHBondContact O-N 3.02Å; Q121-R124 PolarHBondContact O-N 3.41Å; Q121-F125 HydrophobicContact CG-CD2 3.87Å; Q121-F125 HydrophobicContact CG-CE2 3.58Å; Q121-F125 HydrophobicContact CG-CZ 4.41Å; Q121-F125 WeakPolarHBondContact O-CD2 3.28Å; Q121-F125 PolarHBondContact O-N 3.5Å; Q121-F125 VanDerWaalsContact O-N 3.09Å
122L90.9Very high90Very high2 Ų246.9 Ų46.91%0.0121%0.207CC..Hα-helixtrans-63.7-43.7172.1178.466.6000111.6W55 L62 I80 F100 K118 F119 R124 M126W55-L122 HydrophobicContact CZ3-CD2 4.41Å; L62-L122 HydrophobicContact CD2-CB 3.86Å; L62-L122 HydrophobicContact CD2-CD2 3.71Å; L62-L122 HydrophobicContact CD2-CG 4.27Å; I80-L122 HydrophobicContact CB-CD1 4.11Å; I80-L122 HydrophobicContact CG2-CD1 3.85Å; F100-L122 HydrophobicContact CE2-CD2 4Å; F100-L122 HydrophobicContact CE2-CG 4.09Å; K118-L122 PolarHBondContact O-N 2.91Å; K118-L122 VanDerWaalsContact O-N 3.13Å; F119-L122 HydrophobicContact CD1-CD2 4.46Å; F119-L122 PolarHBondContact O-N 2.91Å; L122-R124 VanDerWaalsContact C-N 3.34Å; L122-M126 HydrophobicContact CD1-CG 4.1Å; L122-M126 HydrophobicContact CG-CG 4.3Å; L122-M126 VanDerWaalsContact O-CB 3.32Å; L122-M126 WeakPolarHBondContact O-CB 3.46Å; L122-M126 VanDerWaalsContact O-CG 3.26Å; L122-M126 WeakPolarHBondContact O-CG 3.25Å; L122-M126 PolarHBondContact O-N 2.91Å
123V93Very high90Very high0 Ų043.6 Ų43.60%019%0.19CC..Hα-helixtrans-60.1-46.7175.5-178.50000110.3F100 L104 W108 F119 Y120 F125 M126 F127 L166 I170 L173F100-V123 HydrophobicContact CZ-CB 4.47Å; F100-V123 HydrophobicContact CZ-CG2 4.03Å; L104-V123 HydrophobicContact CD1-CG2 3.47Å; L104-V123 VanDerWaalsContact CD1-CG2 3.47Å; W108-V123 HydrophobicContact CZ3-CG2 4.25Å; F119-V123 WeakPolarHBondContact O-CG2 3.49Å; F119-V123 PolarHBondContact O-N 3.48Å; Y120-V123 PolarHBondContact O-N 3.42Å; V123-F125 PolarHBondContact O-N 3.49Å; V123-M126 PolarHBondContact O-N 3.47Å; V123-F127 HydrophobicContact CG1-CD2 3.85Å; V123-F127 HydrophobicContact CG1-CE2 3.92Å; V123-F127 WeakPolarHBondContact O-CD2 3.39Å; V123-F127 PolarHBondContact O-N 3.06Å; V123-L166 HydrophobicContact CG2-CD1 4.19Å; V123-I170 HydrophobicContact CG1-CD1 4.4Å; V123-I170 HydrophobicContact CG1-CG1 3.75Å; V123-L173 HydrophobicContact CB-CD2 4.35Å; V123-L173 HydrophobicContact CG1-CD2 3.69Å
124R92.1Very high90.1Very high93 Ų9333.9 Ų33.935%0.35115%0.154SC..Hα-helixtrans-52.3-57178-167.4176.8-171.2-165.5-1.9111.6Y120 Q121 L122 M126 F127 R128 E177Y120-R124 PolarHBondContact O-N 2.68Å; Q121-R124 PolarHBondContact O-N 3.41Å; L122-R124 VanDerWaalsContact C-N 3.34Å; R124-M126 VanDerWaalsContact C-N 3.34Å; R124-M126 PolarHBondContact O-N 3Å; R124-F127 PolarHBondContact O-N 3.25Å; R124-R128 PolarHBondContact O-N 3.11Å; R124-E177 VanDerWaalsContact CG-CD 3.4Å; R124-E177 HydrophobicContact CG-CG 4.03Å; R124-E177 WeakPolarHBondContact CG-OE1 3.47Å; R124-E177 IonicContact CZ-OE1 3.92Å; R124-E177 VanDerWaalsContact CZ-OE1 3.27Å; R124-E177 IonicContact NE-OE1 3.74Å; R124-E177 PolarHBondContact NE-OE1 2.89Å; R124-E177 IonicContact NH2-OE1 3.17Å; R124-E177 PolarHBondContact NH2-OE1 2.9Å
125F91Very high90.3Very high25 Ų2530.4 Ų30.411%0.1113%0.131CC..Hα-helixtrans-68.8-26.2179.6-67.7-49.7000114.5E74 N78 S81 Q121 V123 Q129E74-F125 HydrophobicContact CB-CE2 4.21Å; E74-F125 HydrophobicContact CG-CE2 4.37Å; N78-F125 WeakPolarHBondContact OD1-CD1 3.21Å; N78-F125 VanDerWaalsContact OD1-CD2 3.3Å; N78-F125 WeakPolarHBondContact OD1-CD2 3.27Å; N78-F125 WeakPolarHBondContact OD1-CE1 3.4Å; N78-F125 WeakPolarHBondContact OD1-CE2 3.34Å; N78-F125 WeakPolarHBondContact OD1-CG 3.35Å; N78-F125 WeakPolarHBondContact OD1-CZ 3.46Å; S81-F125 WeakPolarHBondContact CB-O 3.43Å; Q121-F125 HydrophobicContact CG-CD2 3.87Å; Q121-F125 HydrophobicContact CG-CE2 3.58Å; Q121-F125 HydrophobicContact CG-CZ 4.41Å; Q121-F125 WeakPolarHBondContact O-CD2 3.28Å; Q121-F125 PolarHBondContact O-N 3.5Å; Q121-F125 VanDerWaalsContact O-N 3.09Å; V123-F125 PolarHBondContact O-N 3.49Å; F125-Q129 WeakPolarHBondContact O-CB 3.19Å; F125-Q129 WeakPolarHBondContact O-CG 3.48Å; F125-Q129 PolarHBondContact O-N 3.27Å
126M93.1Very high90.4Very high0 Ų034.5 Ų34.50%015%0.146CC..Hα-helixtrans-68.6-38.5172.9-80.5-63.5-5400112W55 Y96 L97 F100 L122 V123 R124 S130W55-M126 HydrophobicContact CH2-CE 4.17Å; W55-M126 HydrophobicContact CH2-CG 4.44Å; W55-M126 HydrophobicContact CH2-SD 3.78Å; W55-M126 HydrophobicContact CZ2-CE 3.86Å; W55-M126 HydrophobicContact CZ2-SD 4.03Å; Y96-M126 HydrophobicContact CD1-CE 4.26Å; Y96-M126 HydrophobicContact CE1-CE 4.05Å; Y96-M126 HydrophobicContact CE1-SD 4.35Å; L97-M126 HydrophobicContact CD1-CE 4.18Å; F100-M126 HydrophobicContact CB-CE 4.24Å; F100-M126 HydrophobicContact CD1-CB 4.36Å; F100-M126 HydrophobicContact CD1-CE 4.2Å; F100-M126 HydrophobicContact CD1-CG 4.4Å; F100-M126 HydrophobicContact CD2-CE 4.42Å; F100-M126 HydrophobicContact CD2-CG 4.13Å; F100-M126 HydrophobicContact CE1-CB 3.77Å; F100-M126 HydrophobicContact CE1-CG 4.01Å; F100-M126 HydrophobicContact CE2-CB 4.36Å; F100-M126 HydrophobicContact CE2-CG 3.72Å; F100-M126 HydrophobicContact CG-CE 4.04Å; F100-M126 HydrophobicContact CG-CG 4.43Å; F100-M126 HydrophobicContact CZ-CB 3.76Å; F100-M126 HydrophobicContact CZ-CG 3.64Å; L122-M126 HydrophobicContact CD1-CG 4.1Å; L122-M126 HydrophobicContact CG-CG 4.3Å; L122-M126 VanDerWaalsContact O-CB 3.32Å; L122-M126 WeakPolarHBondContact O-CB 3.46Å; L122-M126 VanDerWaalsContact O-CG 3.26Å; L122-M126 WeakPolarHBondContact O-CG 3.25Å; L122-M126 PolarHBondContact O-N 2.91Å; V123-M126 PolarHBondContact O-N 3.47Å; R124-M126 VanDerWaalsContact C-N 3.34Å; R124-M126 PolarHBondContact O-N 3Å; M126-S130 WeakPolarHBondContact O-CB 3.37Å; M126-S130 PolarHBondContact O-N 3.06Å; M126-S130 VanDerWaalsContact O-N 3.07Å; M126-S130 PolarHBondContact O-OG 3.24Å
127F92.9Very high90.4Very high1 Ų136.9 Ų36.90%0.00415%0.154CC..Hα-helixtrans-66.3-49.8171.8-89.6-95.3000111.1F101 V123 R124 Q129 S130 F131 L151 L155 I170 L173 Y174 E177F101-F127 AromaticContact CE1-CE2 3.81Å; F101-F127 HydrophobicContact CE1-CE2 3.81Å; F101-F127 AromaticContact CE1-CZ 3.92Å; F101-F127 HydrophobicContact CE1-CZ 3.92Å; F101-F127 AromaticContact CZ-CE2 3.78Å; F101-F127 HydrophobicContact CZ-CE2 3.78Å; F101-F127 AromaticContact CZ-CZ 3.58Å; F101-F127 HydrophobicContact CZ-CZ 3.58Å; V123-F127 HydrophobicContact CG1-CD2 3.85Å; V123-F127 HydrophobicContact CG1-CE2 3.92Å; V123-F127 WeakPolarHBondContact O-CD2 3.39Å; V123-F127 PolarHBondContact O-N 3.06Å; R124-F127 PolarHBondContact O-N 3.25Å; F127-Q129 VanDerWaalsContact C-N 3.3Å; F127-Q129 PolarHBondContact O-N 3.33Å; F127-S130 WeakPolarHBondContact O-CA 3.4Å; F127-S130 WeakPolarHBondContact O-CB 3.48Å; F127-S130 PolarHBondContact O-N 2.88Å; F127-F131 HydrophobicContact CB-CE2 4.19Å; F127-F131 HydrophobicContact CD1-CE2 4.06Å; F127-F131 HydrophobicContact CD1-CZ 4.16Å; F127-F131 VanDerWaalsContact O-CD2 3.26Å; F127-F131 WeakPolarHBondContact O-CD2 3.49Å; F127-F131 PolarHBondContact O-N 2.95Å; F127-L151 HydrophobicContact CE1-CD1 4.31Å; F127-L151 HydrophobicContact CE1-CD2 3.88Å; F127-L151 HydrophobicContact CZ-CD2 3.94Å; F127-L155 HydrophobicContact CZ-CD1 4.43Å; F127-I170 HydrophobicContact CE1-CG2 4.11Å; F127-I170 HydrophobicContact CE2-CD1 4.11Å; F127-I170 HydrophobicContact CE2-CG1 3.88Å; F127-I170 HydrophobicContact CE2-CG2 3.89Å; F127-I170 HydrophobicContact CZ-CB 4.48Å; F127-I170 HydrophobicContact CZ-CD1 4.36Å; F127-I170 HydrophobicContact CZ-CG1 4.26Å; F127-I170 HydrophobicContact CZ-CG2 3.43Å; F127-I170 VanDerWaalsContact CZ-CG2 3.43Å; F127-L173 HydrophobicContact CB-CD1 3.75Å; F127-L173 HydrophobicContact CD1-CD1 4.21Å; F127-L173 HydrophobicContact CD2-CD1 3.83Å; F127-L173 HydrophobicContact CG-CD1 3.65Å; F127-Y174 HydrophobicContact CD1-CD2 4.31Å; F127-Y174 HydrophobicContact CE1-CD2 4.07Å; F127-Y174 HydrophobicContact CE1-CE2 4.4Å; F127-E177 HydrophobicContact CB-CB 4.26Å; F127-E177 HydrophobicContact CB-CG 4.44Å
128R91.8Very high90.3Very high69 Ų6939.6 Ų39.626%0.2617%0.168SC..Hα-helixtrans-51.8-46.1176.9-158.2172.5-63.9-151.1-9113.3R124 S130 F131 D132 E177 V181R124-R128 PolarHBondContact O-N 3.11Å; R128-S130 VanDerWaalsContact C-N 3.33Å; R128-F131 PolarHBondContact O-N 2.81Å; R128-D132 WeakPolarHBondContact O-CB 3.44Å; R128-D132 PolarHBondContact O-N 3.04Å; R128-E177 WeakPolarHBondContact CB-OE2 3.37Å; R128-E177 IonicContact CZ-OE1 3.43Å; R128-E177 IonicContact CZ-OE2 3.11Å; R128-E177 VanDerWaalsContact CZ-OE2 3.24Å; R128-E177 IonicContact NE-OE2 2.87Å; R128-E177 PolarHBondContact NE-OE2 3.28Å; R128-E177 VanDerWaalsContact NH2-CD 3.26Å; R128-E177 IonicContact NH2-OE1 2.72Å; R128-E177 PolarHBondContact NH2-OE1 3.04Å; R128-E177 IonicContact NH2-OE2 2.75Å; R128-E177 PolarHBondContact NH2-OE2 3.27Å; R128-V181 HydrophobicContact CG-CG2 3.56Å
129Q92.4Very high90.2Very high26 Ų2640 Ų4012%0.12117%0.17CC..Hα-helixtrans-76.1-19.3179.1-66.7-75.3-97.500113.5I84 H85 F125 F127 D132 V133I84-Q129 HydrophobicContact CG2-CB 3.95Å; H85-Q129 PolarHBondContact CD2-OE1 2.77Å; H85-Q129 PolarHBondContact NE2-O 3.09Å; H85-Q129 VanDerWaalsContact NE2-O 3.08Å; F125-Q129 WeakPolarHBondContact O-CB 3.19Å; F125-Q129 WeakPolarHBondContact O-CG 3.48Å; F125-Q129 PolarHBondContact O-N 3.27Å; F127-Q129 VanDerWaalsContact C-N 3.3Å; F127-Q129 PolarHBondContact O-N 3.33Å; Q129-D132 PolarHBondContact NE2-OD2 3.07Å; Q129-V133 WeakPolarHBondContact O-CG2 3.42Å; Q129-V133 PolarHBondContact O-N 2.87Å
130S91.8Very high90.2Very high4 Ų444 Ų443%0.02819%0.188CC..Hα-helixtrans-75.9-39.6169.8-56.80000111.4M126 F127 R128 V133 L134M126-S130 WeakPolarHBondContact O-CB 3.37Å; M126-S130 PolarHBondContact O-N 3.06Å; M126-S130 VanDerWaalsContact O-N 3.07Å; M126-S130 PolarHBondContact O-OG 3.24Å; F127-S130 WeakPolarHBondContact O-CA 3.4Å; F127-S130 WeakPolarHBondContact O-CB 3.48Å; F127-S130 PolarHBondContact O-N 2.88Å; R128-S130 VanDerWaalsContact C-N 3.33Å; S130-V133 WeakPolarHBondContact O-CB 3.42Å; S130-V133 PolarHBondContact O-N 3.26Å; S130-L134 PolarHBondContact O-N 3.23Å
131F91.7Very high90.1Very high0 Ų044.8 Ų44.80%021%0.207CC..Hα-helixtrans-66.2-39.4171.3-63.6-55.1000111.6F127 R128 V133 L134 R135 F147 Y174 E177 L178 V181 F194F127-F131 HydrophobicContact CB-CE2 4.19Å; F127-F131 HydrophobicContact CD1-CE2 4.06Å; F127-F131 HydrophobicContact CD1-CZ 4.16Å; F127-F131 VanDerWaalsContact O-CD2 3.26Å; F127-F131 WeakPolarHBondContact O-CD2 3.49Å; F127-F131 PolarHBondContact O-N 2.95Å; R128-F131 PolarHBondContact O-N 2.81Å; F131-V133 VanDerWaalsContact C-N 3.26Å; F131-V133 PolarHBondContact O-N 3.49Å; F131-L134 HydrophobicContact CD1-CD1 4.39Å; F131-L134 CarbonylContact O-C 3.57Å; F131-L134 WeakPolarHBondContact O-CA 3.31Å; F131-L134 WeakPolarHBondContact O-CB 3.38Å; F131-L134 PolarHBondContact O-N 3.19Å; F131-R135 PolarHBondContact O-N 3.24Å; F131-F147 HydrophobicContact CD1-CE1 4.3Å; F131-F147 HydrophobicContact CD1-CZ 4.24Å; F131-F147 AromaticContact CE1-CE1 3.73Å; F131-F147 HydrophobicContact CE1-CE1 3.73Å; F131-F147 AromaticContact CE1-CZ 3.8Å; F131-F147 HydrophobicContact CE1-CZ 3.8Å; F131-F147 HydrophobicContact CZ-CZ 4.35Å; F131-Y174 HydrophobicContact CE1-CE2 4.33Å; F131-Y174 HydrophobicContact CZ-CD2 4.06Å; F131-Y174 AromaticContact CZ-CE2 3.74Å; F131-Y174 HydrophobicContact CZ-CE2 3.74Å; F131-E177 HydrophobicContact CD2-CB 4.16Å; F131-E177 VanDerWaalsContact CD2-O 3.29Å; F131-E177 WeakPolarHBondContact CD2-O 3.41Å; F131-E177 HydrophobicContact CE2-CB 3.9Å; F131-L178 HydrophobicContact CD1-CD1 3.83Å; F131-L178 HydrophobicContact CE1-CB 4.45Å; F131-L178 HydrophobicContact CE1-CD1 3.76Å; F131-L178 HydrophobicContact CE2-CB 4.15Å; F131-L178 HydrophobicContact CG-CD1 4.37Å; F131-L178 HydrophobicContact CZ-CB 4.06Å; F131-L178 HydrophobicContact CZ-CD1 4.23Å; F131-V181 HydrophobicContact CB-CB 4Å; F131-V181 HydrophobicContact CB-CG1 3.88Å; F131-V181 HydrophobicContact CB-CG2 4.11Å; F131-F194 HydrophobicContact CE1-CD1 4.41Å; F131-F194 HydrophobicContact CE1-CE1 4.25Å
132D90.8Very high90.1Very high29 Ų2945.5 Ų45.516%0.15522%0.218CC..Hα-helixtrans-60.5-32.4173-175.39.4000112.3H85 R128 Q129 L134 R136H85-D132 WeakPolarHBondContact NE2-CB 3.38Å; H85-D132 PolarHBondContact NE2-O 3.08Å; H85-D132 IonicContact NE2-OD1 3.11Å; H85-D132 IonicContact NE2-OD2 2.77Å; H85-D132 PolarHBondContact NE2-OD2 2.94Å; R128-D132 WeakPolarHBondContact O-CB 3.44Å; R128-D132 PolarHBondContact O-N 3.04Å; Q129-D132 PolarHBondContact NE2-OD2 3.07Å; D132-L134 VanDerWaalsContact C-N 3.3Å; D132-L134 PolarHBondContact O-N 3Å; D132-R136 VanDerWaalsContact CG-NH2 3.34Å; D132-R136 WeakPolarHBondContact O-CB 3.46Å; D132-R136 VanDerWaalsContact O-CG 3.23Å; D132-R136 WeakPolarHBondContact O-CG 3.17Å; D132-R136 PolarHBondContact O-N 3.25Å; D132-R136 VanDerWaalsContact O-N 3.09Å; D132-R136 IonicContact OD1-CZ 3.57Å; D132-R136 IonicContact OD1-NE 3.26Å; D132-R136 PolarHBondContact OD1-NE 3.17Å; D132-R136 IonicContact OD1-NH2 2.65Å; D132-R136 PolarHBondContact OD1-NH2 3.45Å; D132-R136 IonicContact OD2-CZ 3.45Å; D132-R136 IonicContact OD2-NE 3.71Å; D132-R136 IonicContact OD2-NH2 2.72Å; D132-R136 PolarHBondContact OD2-NH2 3.2Å
133V89.6Confident90Very high7 Ų745.4 Ų45.44%0.04222%0.217CC..Hα-helixtrans-65.5-30.7170.2164.40000112.7I84 H85 L90 Q93 Q129 S130 F131 R137I84-V133 HydrophobicContact CD1-CG2 4.14Å; I84-V133 HydrophobicContact CG1-CG2 4.09Å; I84-V133 HydrophobicContact CG2-CG2 3.86Å; H85-V133 WeakPolarHBondContact CE1-CG2 3.41Å; H85-V133 WeakPolarHBondContact NE2-CA 3.36Å; H85-V133 WeakPolarHBondContact NE2-CG2 3.34Å; H85-V133 PolarHBondContact NE2-N 3.25Å; L90-V133 HydrophobicContact CD1-CG1 4.45Å; Q93-V133 HydrophobicContact CB-CG1 4.32Å; Q93-V133 VanDerWaalsContact OE1-CG1 3.26Å; Q129-V133 WeakPolarHBondContact O-CG2 3.42Å; Q129-V133 PolarHBondContact O-N 2.87Å; S130-V133 WeakPolarHBondContact O-CB 3.42Å; S130-V133 PolarHBondContact O-N 3.26Å; F131-V133 VanDerWaalsContact C-N 3.26Å; F131-V133 PolarHBondContact O-N 3.49Å; V133-R137 WeakPolarHBondContact O-CG 3.4Å
134L89.3Confident89.9Confident2 Ų245.9 Ų45.91%0.0122%0.22CC..Hα-helixtrans-81-41.7175.7-60.5173000111.6S130 F131 D132 R136 R137 N138 W139 A143 V144 F147 F194S130-L134 PolarHBondContact O-N 3.23Å; F131-L134 HydrophobicContact CD1-CD1 4.39Å; F131-L134 CarbonylContact O-C 3.57Å; F131-L134 WeakPolarHBondContact O-CA 3.31Å; F131-L134 WeakPolarHBondContact O-CB 3.38Å; F131-L134 PolarHBondContact O-N 3.19Å; D132-L134 VanDerWaalsContact C-N 3.3Å; D132-L134 PolarHBondContact O-N 3Å; L134-R136 PolarHBondContact O-N 2.71Å; L134-R137 CarbonylContact O-C 3.52Å; L134-R137 WeakPolarHBondContact O-CA 3.2Å; L134-R137 PolarHBondContact O-N 2.93Å; L134-N138 PolarHBondContact O-N 2.79Å; L134-W139 HydrophobicContact CB-CE3 3.75Å; L134-W139 HydrophobicContact CB-CZ3 3.89Å; L134-W139 PolarHBondContact O-N 3.04Å; L134-A143 HydrophobicContact CD2-CB 3.81Å; L134-V144 HydrophobicContact CD1-CG2 4.4Å; L134-V144 HydrophobicContact CD2-CG2 4.33Å; L134-F147 HydrophobicContact CD1-CB 4.35Å; L134-F147 HydrophobicContact CD1-CD1 3.84Å; L134-F147 HydrophobicContact CD1-CE1 4.22Å; L134-F147 HydrophobicContact CD1-CG 4.01Å; L134-F147 HydrophobicContact CD2-CB 4.49Å; L134-F194 HydrophobicContact CD1-CE1 4.03Å; L134-F194 HydrophobicContact CD1-CZ 4.16Å
135R89.6Confident89.7Confident68 Ų6842.9 Ų42.926%0.25722%0.218SC..Hα-helixtrans-53.4-50174.1-162.1-173.9174.4151.3-3.4111.1F131 R137 N138 W139 V181 E184 E185F131-R135 PolarHBondContact O-N 3.24Å; R135-R137 PolarHBondContact O-N 2.89Å; R135-N138 PolarHBondContact O-N 3.06Å; R135-W139 HydrophobicContact CB-CH2 4.29Å; R135-W139 HydrophobicContact CB-CZ2 3.72Å; R135-W139 HydrophobicContact CG-CZ2 3.8Å; R135-V181 HydrophobicContact CB-CG1 4.12Å; R135-V181 WeakPolarHBondContact CD-O 3.49Å; R135-V181 HydrophobicContact CG-CG1 4.47Å; R135-V181 PolarHBondContact NH1-O 3.21Å; R135-E184 IonicContact CZ-OE2 2.76Å; R135-E184 VanDerWaalsContact CZ-OE2 3.28Å; R135-E184 IonicContact NH1-OE2 3.69Å; R135-E184 PolarHBondContact NH1-OE2 3.25Å; R135-E184 IonicContact NH2-OE2 2.79Å; R135-E184 PolarHBondContact NH2-OE2 3.07Å; R135-E185 WeakPolarHBondContact CG-OE2 3.31Å; R135-E185 IonicContact CZ-OE1 3.37Å; R135-E185 IonicContact NE-OE1 3.27Å; R135-E185 PolarHBondContact NE-OE1 3.07Å; R135-E185 IonicContact NE-OE2 3.74Å; R135-E185 PolarHBondContact NE-OE2 3.37Å; R135-E185 IonicContact NH2-OE1 2.66Å; R135-E185 PolarHBondContact NH2-OE1 2.99Å
136R88.1Confident89.7Confident147 Ų14745.5 Ų45.556%0.55523%0.229SC*.THydrogen-bonded Turntrans-67-0.5176.1-64.7176-158.5-151.98.6115.5D132 L134D132-R136 VanDerWaalsContact CG-NH2 3.34Å; D132-R136 WeakPolarHBondContact O-CB 3.46Å; D132-R136 VanDerWaalsContact O-CG 3.23Å; D132-R136 WeakPolarHBondContact O-CG 3.17Å; D132-R136 PolarHBondContact O-N 3.25Å; D132-R136 VanDerWaalsContact O-N 3.09Å; D132-R136 IonicContact OD1-CZ 3.57Å; D132-R136 IonicContact OD1-NE 3.26Å; D132-R136 PolarHBondContact OD1-NE 3.17Å; D132-R136 IonicContact OD1-NH2 2.65Å; D132-R136 PolarHBondContact OD1-NH2 3.45Å; D132-R136 IonicContact OD2-CZ 3.45Å; D132-R136 IonicContact OD2-NE 3.71Å; D132-R136 IonicContact OD2-NH2 2.72Å; D132-R136 PolarHBondContact OD2-NH2 3.2Å; L134-R136 PolarHBondContact O-N 2.71Å
137R86.2Confident89.7Confident77 Ų7745.6 Ų45.629%0.29123%0.23SC..THydrogen-bonded Turntrans-119.620.1172.5-63.2179.3-175.1-84.1-2111Q88 V133 L134 R135 W139 E140Q88-R137 PolarHBondContact O-NH2 3.36Å; Q88-R137 VanDerWaalsContact O-NH2 3.1Å; V133-R137 WeakPolarHBondContact O-CG 3.4Å; L134-R137 CarbonylContact O-C 3.52Å; L134-R137 WeakPolarHBondContact O-CA 3.2Å; L134-R137 PolarHBondContact O-N 2.93Å; R135-R137 PolarHBondContact O-N 2.89Å; R137-W139 PolarHBondContact O-N 2.92Å; R137-W139 VanDerWaalsContact O-N 3.13Å; R137-E140 PolarHBondContact O-N 3Å
138N86.1Confident89.5Confident138 Ų13846.3 Ų46.374%0.73823%0.233SC*.THydrogen-bonded Turntrans4842-179-62.558.4000112.1L134 R135 E140L134-N138 PolarHBondContact O-N 2.79Å; R135-N138 PolarHBondContact O-N 3.06Å; N138-E140 PolarHBondContact O-N 3.4Å; N138-E140 VanDerWaalsContact O-N 3.17Å
139W86.1Confident89.5Confident14 Ų1448.8 Ų48.85%0.05325%0.248CC..THydrogen-bonded Turntrans58.828.2174.5-50.498.3000115.1L134 R135 R137 S141 V144 L178 V181 E185 L186 F194L134-W139 HydrophobicContact CB-CE3 3.75Å; L134-W139 HydrophobicContact CB-CZ3 3.89Å; L134-W139 PolarHBondContact O-N 3.04Å; R135-W139 HydrophobicContact CB-CH2 4.29Å; R135-W139 HydrophobicContact CB-CZ2 3.72Å; R135-W139 HydrophobicContact CG-CZ2 3.8Å; R137-W139 PolarHBondContact O-N 2.92Å; R137-W139 VanDerWaalsContact O-N 3.13Å; W139-S141 PolarHBondContact O-N 3.43Å; W139-V144 WeakPolarHBondContact O-CG2 3.23Å; W139-L178 HydrophobicContact CZ3-CD1 4.38Å; W139-V181 HydrophobicContact CH2-CG1 4.19Å; W139-V181 HydrophobicContact CZ2-CG1 4.44Å; W139-E185 PolarHBondContact NE1-OE2 3.41Å; W139-L186 HydrophobicContact CB-CD2 4.35Å; W139-L186 HydrophobicContact CD2-CD2 3.41Å; W139-L186 VanDerWaalsContact CD2-CD2 3.41Å; W139-L186 HydrophobicContact CD2-CG 4.15Å; W139-L186 HydrophobicContact CE3-CD2 3.6Å; W139-L186 HydrophobicContact CE3-CG 4.39Å; W139-L186 HydrophobicContact CG-CD2 3.75Å; W139-L186 HydrophobicContact CH2-CD1 3.89Å; W139-L186 HydrophobicContact CH2-CD2 4.29Å; W139-L186 HydrophobicContact CH2-CG 4.21Å; W139-L186 HydrophobicContact CZ2-CD1 4.13Å; W139-L186 HydrophobicContact CZ2-CD2 4.17Å; W139-L186 HydrophobicContact CZ2-CG 3.98Å; W139-L186 HydrophobicContact CZ3-CD1 4.1Å; W139-L186 HydrophobicContact CZ3-CD2 4.03Å; W139-L186 HydrophobicContact CZ3-CG 4.41Å; W139-F194 HydrophobicContact CE3-CE2 4.13Å; W139-F194 AromaticContact CE3-CZ 3.84Å; W139-F194 HydrophobicContact CE3-CZ 3.84Å; W139-F194 HydrophobicContact CZ3-CE2 4.27Å; W139-F194 AromaticContact CZ3-CZ 3.89Å; W139-F194 HydrophobicContact CZ3-CZ 3.89Å
140E88.1Confident89.4Confident84 Ų8448.5 Ų48.539%0.39325%0.247SC..  trans-39.1118.4177.7-175.9-156.3158.300112.9R137 N138 S142 A143 V144R137-E140 PolarHBondContact O-N 3Å; N138-E140 PolarHBondContact O-N 3.4Å; N138-E140 VanDerWaalsContact O-N 3.17Å; E140-S142 PolarHBondContact O-N 2.91Å; E140-S142 WeakPolarHBondContact OE1-CB 3.47Å; E140-S142 PolarHBondContact OE1-OG 3.26Å; E140-A143 HydrophobicContact CB-CB 4.07Å; E140-A143 WeakPolarHBondContact O-CA 3.29Å; E140-A143 WeakPolarHBondContact O-CB 3.2Å; E140-A143 PolarHBondContact O-N 3.39Å; E140-V144 PolarHBondContact O-N 3.19Å
141S88.6Confident89.2Confident107 Ų10748.5 Ų48.575%0.74825%0.246SC*.Hα-helixtrans-57-27.8-174.9-40.30000114.1W139 G145W139-S141 PolarHBondContact O-N 3.43Å; S141-G145 WeakPolarHBondContact O-CA 3.22Å; S141-G145 PolarHBondContact O-N 2.84Å
142S89.7Confident89Confident63 Ų6353 Ų5344%0.44127%0.266SS..Hα-helixtrans-71.1-41.3173.6138.70000112.1E140 K146E140-S142 PolarHBondContact O-N 2.91Å; E140-S142 WeakPolarHBondContact OE1-CB 3.47Å; E140-S142 PolarHBondContact OE1-OG 3.26Å; S142-K146 WeakPolarHBondContact O-CG 3.25Å; S142-K146 PolarHBondContact O-N 3.14Å; S142-K146 VanDerWaalsContact O-N 3.08Å
143A87.9Confident88.9Confident0 Ų057 Ų570%028%0.28CS..Hα-helixtrans-69.4-44.9174.500000112L90 L134 E140 F147L90-A143 HydrophobicContact CD1-CB 3.71Å; L90-A143 HydrophobicContact CD2-CB 3.95Å; L134-A143 HydrophobicContact CD2-CB 3.81Å; E140-A143 HydrophobicContact CB-CB 4.07Å; E140-A143 WeakPolarHBondContact O-CA 3.29Å; E140-A143 WeakPolarHBondContact O-CB 3.2Å; E140-A143 PolarHBondContact O-N 3.39Å; A143-F147 WeakPolarHBondContact O-CB 3.23Å; A143-F147 PolarHBondContact O-N 3.38Å
144V90.1Very high88.5Confident9 Ų957 Ų576%0.05528%0.28CS..Hα-helixtrans-61-46.1174.5176.20000110.4L134 W139 E140 F147 L148 I193 F194L134-V144 HydrophobicContact CD1-CG2 4.4Å; L134-V144 HydrophobicContact CD2-CG2 4.33Å; W139-V144 WeakPolarHBondContact O-CG2 3.23Å; E140-V144 PolarHBondContact O-N 3.19Å; V144-F147 PolarHBondContact O-N 3.08Å; V144-L148 HydrophobicContact CG1-CD1 3.82Å; V144-L148 HydrophobicContact CG1-CG 4.2Å; V144-L148 WeakPolarHBondContact O-CB 3.26Å; V144-L148 WeakPolarHBondContact O-CG 3.31Å; V144-L148 PolarHBondContact O-N 3.25Å; V144-I193 HydrophobicContact CG1-CG2 4.43Å; V144-F194 HydrophobicContact CB-CZ 4.47Å; V144-F194 HydrophobicContact CG1-CD1 4.44Å; V144-F194 HydrophobicContact CG1-CE1 3.84Å; V144-F194 HydrophobicContact CG1-CE2 4.27Å; V144-F194 HydrophobicContact CG1-CZ 3.73Å; V144-F194 HydrophobicContact CG2-CZ 3.9Å
145G89.9Confident88.1Confident30 Ų3057 Ų5731%0.30928%0.28SS..Hα-helixtrans-55.9-54176.700000112.7S141 F147 L148 E149S141-G145 WeakPolarHBondContact O-CA 3.22Å; S141-G145 PolarHBondContact O-N 2.84Å; G145-F147 VanDerWaalsContact C-N 3.31Å; G145-F147 PolarHBondContact O-N 2.67Å; G145-L148 PolarHBondContact O-N 2.91Å; G145-E149 WeakPolarHBondContact O-CG 3.48Å; G145-E149 PolarHBondContact O-N 2.94Å
146K90.7Very high87.5Confident81 Ų8154.4 Ų54.435%0.35227%0.271SS..Hα-helixtrans-57.6-40.7176.5-73.1173.6170.7-172.30112.7L90 D91 L94 S142 L150L90-K146 HydrophobicContact CD2-CD 3.6Å; D91-K146 IonicContact OD1-NZ 2.79Å; D91-K146 PolarHBondContact OD1-NZ 2.98Å; D91-K146 IonicContact OD2-NZ 3.82Å; D91-K146 PolarHBondContact OD2-NZ 3.28Å; L94-K146 HydrophobicContact CD1-CB 3.57Å; L94-K146 HydrophobicContact CD1-CD 4.3Å; S142-K146 WeakPolarHBondContact O-CG 3.25Å; S142-K146 PolarHBondContact O-N 3.14Å; S142-K146 VanDerWaalsContact O-N 3.08Å; K146-L150 WeakPolarHBondContact O-CB 3.2Å; K146-L150 PolarHBondContact O-N 3.16Å; K146-L150 VanDerWaalsContact O-N 3.09Å
147F91.6Very high86.7Confident2 Ų252.4 Ų52.41%0.00927%0.267CS..Hα-helixtrans-64.5-45.6176.2171.2-100.6000112.2L94 L97 F131 L134 A143 V144 G145 E149 L150 L151 F194L94-F147 HydrophobicContact CD2-CB 4.12Å; L94-F147 HydrophobicContact CD2-CD2 4.19Å; L97-F147 HydrophobicContact CD2-CD2 3.78Å; L97-F147 HydrophobicContact CD2-CE2 3.6Å; F131-F147 HydrophobicContact CD1-CE1 4.3Å; F131-F147 HydrophobicContact CD1-CZ 4.24Å; F131-F147 AromaticContact CE1-CE1 3.73Å; F131-F147 HydrophobicContact CE1-CE1 3.73Å; F131-F147 AromaticContact CE1-CZ 3.8Å; F131-F147 HydrophobicContact CE1-CZ 3.8Å; F131-F147 HydrophobicContact CZ-CZ 4.35Å; L134-F147 HydrophobicContact CD1-CB 4.35Å; L134-F147 HydrophobicContact CD1-CD1 3.84Å; L134-F147 HydrophobicContact CD1-CE1 4.22Å; L134-F147 HydrophobicContact CD1-CG 4.01Å; L134-F147 HydrophobicContact CD2-CB 4.49Å; A143-F147 WeakPolarHBondContact O-CB 3.23Å; A143-F147 PolarHBondContact O-N 3.38Å; V144-F147 PolarHBondContact O-N 3.08Å; G145-F147 VanDerWaalsContact C-N 3.31Å; G145-F147 PolarHBondContact O-N 2.67Å; F147-E149 PolarHBondContact O-N 3.37Å; F147-L150 WeakPolarHBondContact O-CB 3.47Å; F147-L150 PolarHBondContact O-N 2.7Å; F147-L151 HydrophobicContact CD1-CD1 4.16Å; F147-L151 HydrophobicContact CD1-CG 4.48Å; F147-L151 HydrophobicContact CE1-CD1 3.49Å; F147-L151 VanDerWaalsContact CE1-CD1 3.49Å; F147-L151 HydrophobicContact CE1-CG 4.13Å; F147-L151 HydrophobicContact CE2-CD1 4.41Å; F147-L151 HydrophobicContact CE2-CD2 4.42Å; F147-L151 HydrophobicContact CE2-CG 4.35Å; F147-L151 HydrophobicContact CZ-CD1 3.65Å; F147-L151 HydrophobicContact CZ-CD2 4.33Å; F147-L151 HydrophobicContact CZ-CG 4.08Å; F147-L151 WeakPolarHBondContact O-CG 3.45Å; F147-L151 PolarHBondContact O-N 2.84Å; F147-F194 HydrophobicContact CD1-CE1 4.33Å; F147-F194 HydrophobicContact CE1-CE1 4.3Å
148L90.3Very high85.6Confident15 Ų1552.4 Ų52.48%0.07927%0.269CS..Hα-helixtrans-68.2-32.8177.9-67.7178.9000112.5V144 G145 L151 K152 I193 F194 P197V144-L148 HydrophobicContact CG1-CD1 3.82Å; V144-L148 HydrophobicContact CG1-CG 4.2Å; V144-L148 WeakPolarHBondContact O-CB 3.26Å; V144-L148 WeakPolarHBondContact O-CG 3.31Å; V144-L148 PolarHBondContact O-N 3.25Å; G145-L148 PolarHBondContact O-N 2.91Å; L148-L151 HydrophobicContact CD2-CD1 4.36Å; L148-K152 WeakPolarHBondContact O-CB 3.44Å; L148-K152 PolarHBondContact O-N 2.86Å; L148-I193 HydrophobicContact CD1-CG2 3.83Å; L148-I193 WeakPolarHBondContact CD1-O 3.4Å; L148-F194 HydrophobicContact CD2-CD1 3.98Å; L148-P197 HydrophobicContact CB-CG 4.3Å; L148-P197 HydrophobicContact CD1-CG 4.45Å; L148-P197 HydrophobicContact CD2-CG 4.3Å
149E90.4Very high84.3Confident122 Ų12249.9 Ų49.957%0.5726%0.256SS*.Hα-helixtrans-64.8-41.5170.9-72-159.5134.300112.4G145 F147 K152 Y153G145-E149 WeakPolarHBondContact O-CG 3.48Å; G145-E149 PolarHBondContact O-N 2.94Å; F147-E149 PolarHBondContact O-N 3.37Å; E149-K152 PolarHBondContact O-N 2.82Å; E149-Y153 WeakPolarHBondContact O-CB 3.22Å; E149-Y153 PolarHBondContact O-N 3.07Å
150L90Very high83Confident20 Ų2054.7 Ų54.711%0.10529%0.292CS..Hα-helixtrans-63-48.2174.3-174.2162.5000111.1L94 L97 E98 F101 K146 F147 K152 Y153 H154L94-L150 HydrophobicContact CB-CD1 4.01Å; L94-L150 HydrophobicContact CD2-CD1 4.41Å; L94-L150 WeakPolarHBondContact O-CD1 2.93Å; L97-L150 HydrophobicContact CD2-CD2 4.04Å; L97-L150 HydrophobicContact CG-CD2 4.11Å; E98-L150 HydrophobicContact CB-CD1 4.06Å; F101-L150 HydrophobicContact CD2-CD2 3.6Å; F101-L150 HydrophobicContact CE2-CD2 3.55Å; K146-L150 WeakPolarHBondContact O-CB 3.2Å; K146-L150 PolarHBondContact O-N 3.16Å; K146-L150 VanDerWaalsContact O-N 3.09Å; F147-L150 WeakPolarHBondContact O-CB 3.47Å; F147-L150 PolarHBondContact O-N 2.7Å; L150-K152 PolarHBondContact O-N 3.33Å; L150-Y153 PolarHBondContact O-N 3.31Å; L150-H154 PolarHBondContact O-CD2 3.04Å; L150-H154 VanDerWaalsContact O-CD2 3.3Å; L150-H154 PolarHBondContact O-N 3.42Å
151L89Confident82.1Confident3 Ų355.5 Ų55.52%0.01630%0.296CS..Hα-helixtrans-59.4-44.8174.1-69.3-170.4000111.7F101 F127 F147 L148 Y153 L155 Y174F101-L151 HydrophobicContact CE2-CD2 3.74Å; F101-L151 HydrophobicContact CZ-CD2 3.62Å; F127-L151 HydrophobicContact CE1-CD1 4.31Å; F127-L151 HydrophobicContact CE1-CD2 3.88Å; F127-L151 HydrophobicContact CZ-CD2 3.94Å; F147-L151 HydrophobicContact CD1-CD1 4.16Å; F147-L151 HydrophobicContact CD1-CG 4.48Å; F147-L151 HydrophobicContact CE1-CD1 3.49Å; F147-L151 VanDerWaalsContact CE1-CD1 3.49Å; F147-L151 HydrophobicContact CE1-CG 4.13Å; F147-L151 HydrophobicContact CE2-CD1 4.41Å; F147-L151 HydrophobicContact CE2-CD2 4.42Å; F147-L151 HydrophobicContact CE2-CG 4.35Å; F147-L151 HydrophobicContact CZ-CD1 3.65Å; F147-L151 HydrophobicContact CZ-CD2 4.33Å; F147-L151 HydrophobicContact CZ-CG 4.08Å; F147-L151 WeakPolarHBondContact O-CG 3.45Å; F147-L151 PolarHBondContact O-N 2.84Å; L148-L151 HydrophobicContact CD2-CD1 4.36Å; L151-Y153 PolarHBondContact O-N 3.28Å; L151-L155 HydrophobicContact CB-CD1 4.39Å; L151-L155 HydrophobicContact CD2-CD1 3.94Å; L151-L155 WeakPolarHBondContact O-CA 3.45Å; L151-L155 WeakPolarHBondContact O-CB 3.22Å; L151-L155 WeakPolarHBondContact O-CG 3.4Å; L151-L155 PolarHBondContact O-N 2.81Å; L151-Y174 HydrophobicContact CD1-CE2 3.77Å
152K87.9Confident81.6Confident94 Ų9450.9 Ų50.941%0.40926%0.263SS..Iπ-helixtrans-59.8-45.8177.2173.5-176.3167.3-164.10111.5L148 E149 L150 L156 Q157L148-K152 WeakPolarHBondContact O-CB 3.44Å; L148-K152 PolarHBondContact O-N 2.86Å; E149-K152 PolarHBondContact O-N 2.82Å; L150-K152 PolarHBondContact O-N 3.33Å; K152-L156 CarbonylContact O-C 3.42Å; K152-L156 WeakPolarHBondContact O-CA 3.48Å; K152-L156 WeakPolarHBondContact O-CB 3.34Å; K152-L156 PolarHBondContact O-N 2.74Å; K152-Q157 HydrophobicContact CG-CG 4.35Å; K152-Q157 WeakPolarHBondContact O-CG 3.3Å; K152-Q157 PolarHBondContact O-N 3.36Å
153Y86.7Confident81.3Confident113 Ų11349 Ų4944%0.44325%0.249SC..Iπ-helixtrans-64.3-50.7177.7179.6-115.2000112.3E149 L150 L151E149-Y153 WeakPolarHBondContact O-CB 3.22Å; E149-Y153 PolarHBondContact O-N 3.07Å; L150-Y153 PolarHBondContact O-N 3.31Å; L151-Y153 PolarHBondContact O-N 3.28Å
154H83.1Confident81.1Confident9 Ų953.2 Ų53.24%0.04228%0.279CS..Iπ-helixtrans-75.3-38.8-177.3-73.6-75.2000113.8E98 F101 K105 L150 T162E98-H154 WeakPolarHBondContact CG-NE2 3.47Å; E98-H154 IonicContact OE1-NE2 2.77Å; F101-H154 HydrophobicContact CB-CB 4.07Å; F101-H154 HydrophobicContact CD2-CB 4.26Å; F101-H154 HydrophobicContact CG-CB 4.2Å; K105-H154 WeakPolarHBondContact CE-O 3.32Å; K105-H154 PolarHBondContact NZ-O 3.08Å; L150-H154 PolarHBondContact O-CD2 3.04Å; L150-H154 VanDerWaalsContact O-CD2 3.3Å; L150-H154 PolarHBondContact O-N 3.42Å; H154-T162 PolarHBondContact O-OG1 3.17Å
155L81Confident81Confident2 Ų254 Ų541%0.0129%0.288CS..Iπ-helixtrans-100.9-37.9-170-53178.5000113.4F101 F127 L151 T162 L167 I170F101-L155 HydrophobicContact CD1-CD2 4.31Å; F101-L155 HydrophobicContact CE1-CD2 4.21Å; F127-L155 HydrophobicContact CZ-CD1 4.43Å; L151-L155 HydrophobicContact CB-CD1 4.39Å; L151-L155 HydrophobicContact CD2-CD1 3.94Å; L151-L155 WeakPolarHBondContact O-CA 3.45Å; L151-L155 WeakPolarHBondContact O-CB 3.22Å; L151-L155 WeakPolarHBondContact O-CG 3.4Å; L151-L155 PolarHBondContact O-N 2.81Å; L155-T162 HydrophobicContact CD2-CG2 4.48Å; L155-L167 HydrophobicContact CB-CD1 3.98Å; L155-I170 HydrophobicContact CD1-CD1 4.38Å; L155-I170 HydrophobicContact CD1-CG2 3.7Å; L155-I170 HydrophobicContact CD2-CD1 3.67Å
156L76.9Confident80.9Confident13 Ų1352.6 Ų52.67%0.06827%0.274CS..Iπ-helixtrans-108.6-25.9-162.7-48.7-178.7000114.4K152 P197 F198 K201K152-L156 CarbonylContact O-C 3.42Å; K152-L156 WeakPolarHBondContact O-CA 3.48Å; K152-L156 WeakPolarHBondContact O-CB 3.34Å; K152-L156 PolarHBondContact O-N 2.74Å; L156-P197 HydrophobicContact CD1-CB 3.65Å; L156-F198 HydrophobicContact CD1-CD1 4.31Å; L156-F198 HydrophobicContact CD1-CE1 4.43Å; L156-F198 HydrophobicContact CD2-CD1 3.96Å; L156-F198 HydrophobicContact CD2-CE1 3.96Å; L156-K201 HydrophobicContact CB-CB 4.5Å; L156-K201 HydrophobicContact CB-CD 4.26Å; L156-K201 HydrophobicContact CB-CG 4.37Å; L156-K201 HydrophobicContact CD1-CB 4.42Å; L156-K201 HydrophobicContact CD2-CB 4.36Å; L156-K201 HydrophobicContact CD2-CG 4.12Å; L156-K201 WeakPolarHBondContact O-CD 3.23Å; L156-K201 WeakPolarHBondContact O-CE 3.47Å; L156-K201 PolarHBondContact O-NZ 2.88Å
157Q69.7Low80.8Confident104 Ų10449.1 Ų49.149%0.48626%0.259SS..SBendtrans-75-28.7-173.4-79.9-176.338.300115K152K152-Q157 HydrophobicContact CG-CG 4.35Å; K152-Q157 WeakPolarHBondContact O-CG 3.3Å; K152-Q157 PolarHBondContact O-N 3.36Å
158K63.6Low80.7Confident77 Ų7752.1 Ų52.134%0.33528%0.275SS..  trans-138.9102.2-173.5-62.3177.7-172.31720112.5S160 E161K158-S160 PolarHBondContact O-N 3.48Å; K158-S160 VanDerWaalsContact O-N 3.08Å; K158-E161 HydrophobicContact CB-CB 4.11Å; K158-E161 HydrophobicContact CB-CG 4.41Å; K158-E161 HydrophobicContact CD-CB 4.32Å; K158-E161 HydrophobicContact CD-CG 3.99Å; K158-E161 VanDerWaalsContact CD-OE1 3.23Å; K158-E161 WeakPolarHBondContact CD-OE1 3.16Å; K158-E161 WeakPolarHBondContact CD-OE2 3.4Å; K158-E161 WeakPolarHBondContact CE-OE1 3.48Å; K158-E161 IonicContact NZ-OE1 2.7Å; K158-E161 PolarHBondContact NZ-OE1 2.79Å; K158-E161 IonicContact NZ-OE2 2.68Å; K158-E161 PolarHBondContact NZ-OE2 2.8Å; K158-E161 PolarHBondContact O-N 3.37Å
159D58.4Low80.7Confident85 Ų8553.2 Ų53.246%0.45528%0.279SS..THydrogen-bonded Turntrans-64.9-11.2-177.5-64.9-59.4000115K201 L210D159-K201 VanDerWaalsContact OD1-CE 3.26Å; D159-K201 WeakPolarHBondContact OD1-CE 3.27Å; D159-K201 IonicContact OD1-NZ 3.51Å; D159-K201 PolarHBondContact OD1-NZ 3.1Å; D159-K201 IonicContact OD2-NZ 3.92Å; D159-K201 PolarHBondContact OD2-NZ 3.47Å; D159-L210 VanDerWaalsContact OD1-CD1 3.23Å; D159-L210 WeakPolarHBondContact OD1-CD1 3.44Å
160S60.2Low80.8Confident116 Ų11647.4 Ų47.481%0.81125%0.252SS*.THydrogen-bonded Turntrans-100.2-20.2178.652.70000114.7K158K158-S160 PolarHBondContact O-N 3.48Å; K158-S160 VanDerWaalsContact O-N 3.08Å
161E67.5Low80.8Confident100 Ų10046.5 Ų46.547%0.46725%0.248SC..THydrogen-bonded Turntrans-95.7-3.1-176.5-79.4-175.2-160.700113.6K105 K158K105-E161 WeakPolarHBondContact CD-O 3.27Å; K105-E161 PolarHBondContact NZ-O 3.31Å; K158-E161 HydrophobicContact CB-CB 4.11Å; K158-E161 HydrophobicContact CB-CG 4.41Å; K158-E161 HydrophobicContact CD-CB 4.32Å; K158-E161 HydrophobicContact CD-CG 3.99Å; K158-E161 VanDerWaalsContact CD-OE1 3.23Å; K158-E161 WeakPolarHBondContact CD-OE1 3.16Å; K158-E161 WeakPolarHBondContact CD-OE2 3.4Å; K158-E161 WeakPolarHBondContact CE-OE1 3.48Å; K158-E161 IonicContact NZ-OE1 2.7Å; K158-E161 PolarHBondContact NZ-OE1 2.79Å; K158-E161 IonicContact NZ-OE2 2.68Å; K158-E161 PolarHBondContact NZ-OE2 2.8Å; K158-E161 PolarHBondContact O-N 3.37Å
162T78.6Confident80.7Confident11 Ų1150.7 Ų50.77%0.06727%0.27CS..SBendtrans-117.1116.1178.2-54.10000108.7K105 H154 L155 S164 L167K105-T162 VanDerWaalsContact CE-OG1 3.31Å; K105-T162 WeakPolarHBondContact CE-OG1 3.36Å; K105-T162 PolarHBondContact NZ-OG1 3.13Å; H154-T162 PolarHBondContact O-OG1 3.17Å; L155-T162 HydrophobicContact CD2-CG2 4.48Å; T162-S164 PolarHBondContact O-N 3.21Å; T162-L167 HydrophobicContact CG2-CB 4.02Å
163P83.8Confident80.8Confident23 Ų2346.6 Ų46.615%0.14925%0.253CS..  trans-53.7127.6175-28.236.6000110.9K105 W108 T109 G165 L166 L167K105-P163 WeakPolarHBondContact O-CG 3.47Å; W108-P163 HydrophobicContact CB-CB 4.23Å; W108-P163 HydrophobicContact CB-CG 4.05Å; W108-P163 HydrophobicContact CG-CB 4.14Å; W108-P163 HydrophobicContact CG-CG 4.47Å; T109-P163 HydrophobicContact CG2-CB 4.35Å; T109-P163 HydrophobicContact CG2-CG 4.35Å; P163-G165 VanDerWaalsContact C-N 3.3Å; P163-G165 PolarHBondContact O-N 3.32Å; P163-L166 HydrophobicContact CB-CB 4.37Å; P163-L166 WeakPolarHBondContact O-CB 3.42Å; P163-L166 PolarHBondContact O-N 2.92Å; P163-L167 PolarHBondContact O-N 2.93Å
164S84.3Confident81Confident89 Ų8941.2 Ų41.262%0.62223%0.232SC*.Hα-helixtrans-56.1-42.6-171.552.50000112.9T162 L166 L167 L168T162-S164 PolarHBondContact O-N 3.21Å; S164-L166 VanDerWaalsContact C-N 3.26Å; S164-L166 PolarHBondContact O-N 3.09Å; S164-L167 PolarHBondContact O-N 3.35Å; S164-L167 VanDerWaalsContact O-N 3.16Å; S164-L168 VanDerWaalsContact O-CG 3.29Å; S164-L168 WeakPolarHBondContact O-CG 3.2Å; S164-L168 PolarHBondContact O-N 2.96Å
165G87.1Confident81.2Confident24 Ų2440.8 Ų40.825%0.24723%0.23CC..Hα-helixtrans-65.1-22176.900000115.2P163 H169P163-G165 VanDerWaalsContact C-N 3.3Å; P163-G165 PolarHBondContact O-N 3.32Å; G165-H169 WeakPolarHBondContact O-CB 3.43Å; G165-H169 PolarHBondContact O-N 2.86Å
166L88.3Confident81.6Confident1 Ų143.3 Ų43.31%0.00525%0.245CC..Hα-helixtrans-77.5-43.6171.2175.759.8000110.2L104 K105 W108 V123 P163 S164 I170L104-L166 HydrophobicContact CB-CD2 4.06Å; L104-L166 HydrophobicContact CD1-CD1 4.13Å; K105-L166 HydrophobicContact CG-CD2 4.41Å; W108-L166 HydrophobicContact CD2-CB 3.81Å; W108-L166 HydrophobicContact CD2-CD1 4.25Å; W108-L166 HydrophobicContact CD2-CG 4.45Å; W108-L166 HydrophobicContact CE3-CB 4.29Å; W108-L166 HydrophobicContact CE3-CD1 3.84Å; W108-L166 HydrophobicContact CE3-CG 4.46Å; W108-L166 HydrophobicContact CG-CB 4.09Å; W108-L166 HydrophobicContact CH2-CD1 3.87Å; W108-L166 HydrophobicContact CZ2-CB 4.07Å; W108-L166 HydrophobicContact CZ2-CD1 4.27Å; W108-L166 HydrophobicContact CZ3-CD1 3.66Å; V123-L166 HydrophobicContact CG2-CD1 4.19Å; P163-L166 HydrophobicContact CB-CB 4.37Å; P163-L166 WeakPolarHBondContact O-CB 3.42Å; P163-L166 PolarHBondContact O-N 2.92Å; S164-L166 VanDerWaalsContact C-N 3.26Å; S164-L166 PolarHBondContact O-N 3.09Å; L166-I170 HydrophobicContact CD1-CD1 3.72Å; L166-I170 HydrophobicContact CD1-CG1 4.24Å; L166-I170 HydrophobicContact CG-CD1 3.89Å; L166-I170 VanDerWaalsContact O-CG1 3.27Å; L166-I170 WeakPolarHBondContact O-CG1 3.45Å; L166-I170 PolarHBondContact O-N 2.79Å
167L89.2Confident82.2Confident9 Ų942.7 Ų42.75%0.04724%0.242CC..Hα-helixtrans-65.1-43.5178.6-178.361.9000111.9L155 T162 P163 S164 I170 L171 L210L155-L167 HydrophobicContact CB-CD1 3.98Å; T162-L167 HydrophobicContact CG2-CB 4.02Å; P163-L167 PolarHBondContact O-N 2.93Å; S164-L167 PolarHBondContact O-N 3.35Å; S164-L167 VanDerWaalsContact O-N 3.16Å; L167-I170 PolarHBondContact O-N 3.47Å; L167-L171 HydrophobicContact CD1-CD1 4.35Å; L167-L171 HydrophobicContact CD1-CG 4.31Å; L167-L171 HydrophobicContact CG-CD1 4.04Å; L167-L171 HydrophobicContact CG-CG 4.44Å; L167-L171 WeakPolarHBondContact O-CB 3.11Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.49Å; L167-L171 PolarHBondContact O-N 2.76Å; L167-L210 HydrophobicContact CD2-CD1 3.51Å; L167-L210 HydrophobicContact CD2-CD2 4.31Å; L167-L210 HydrophobicContact CD2-CG 3.77Å
168L89.1Confident83Confident65 Ų6537.7 Ų37.734%0.3422%0.218SC..Hα-helixtrans-58.7-53.4176.6-68.1172.4000110.9S164 I170 L171 D172 A213S164-L168 VanDerWaalsContact O-CG 3.29Å; S164-L168 WeakPolarHBondContact O-CG 3.2Å; S164-L168 PolarHBondContact O-N 2.96Å; L168-I170 VanDerWaalsContact C-N 3.28Å; L168-I170 PolarHBondContact O-N 2.7Å; L168-L171 WeakPolarHBondContact O-CA 3.46Å; L168-L171 WeakPolarHBondContact O-CB 3.26Å; L168-L171 PolarHBondContact O-N 2.74Å; L168-D172 PolarHBondContact O-N 2.78Å; L168-A213 HydrophobicContact CD2-CB 3.26Å
169H91Very high84.1Confident37 Ų3734.2 Ų34.217%0.17120%0.204CC..Hα-helixtrans-57.2-39.8177.8-177.371.3000113Y120 G165 D172 L173Y120-H169 WeakPolarHBondContact CA-NE2 3.46Å; Y120-H169 HydrophobicContact CD1-CB 3.97Å; Y120-H169 AromaticContact CD1-CD2 3.55Å; Y120-H169 AromaticContact CD1-CE1 3.54Å; Y120-H169 AromaticContact CD1-CG 3.32Å; Y120-H169 AromaticContact CD1-ND1 3.28Å; Y120-H169 VanDerWaalsContact CD1-ND1 3.28Å; Y120-H169 WeakPolarHBondContact CD1-ND1 3.29Å; Y120-H169 AromaticContact CD1-NE2 3.66Å; Y120-H169 HydrophobicContact CE1-CB 3.79Å; Y120-H169 AromaticContact CE1-CG 3.66Å; Y120-H169 AromaticContact CE1-ND1 3.73Å; Y120-H169 AromaticContact CG-CE1 3.77Å; Y120-H169 AromaticContact CG-ND1 3.86Å; Y120-H169 PolarHBondContact O-NE2 2.97Å; G165-H169 WeakPolarHBondContact O-CB 3.43Å; G165-H169 PolarHBondContact O-N 2.86Å; H169-D172 PolarHBondContact O-N 3.1Å; H169-L173 VanDerWaalsContact CD2-CD2 3.43Å; H169-L173 WeakPolarHBondContact CD2-CD2 3.33Å; H169-L173 WeakPolarHBondContact NE2-CD2 3.44Å; H169-L173 WeakPolarHBondContact O-CD2 3.43Å; H169-L173 VanDerWaalsContact O-CG 3.27Å; H169-L173 WeakPolarHBondContact O-CG 3.39Å; H169-L173 PolarHBondContact O-N 2.82Å
170I90.8Very high85.5Confident1 Ų132 Ų321%0.00520%0.198CC..Hα-helixtrans-66.3-39.8175.6-69.7168.2000111.7F101 V123 F127 L155 L166 L167 L168 D172 Y174F101-I170 HydrophobicContact CD1-CD1 4.5Å; F101-I170 HydrophobicContact CE1-CD1 3.92Å; V123-I170 HydrophobicContact CG1-CD1 4.4Å; V123-I170 HydrophobicContact CG1-CG1 3.75Å; F127-I170 HydrophobicContact CE1-CG2 4.11Å; F127-I170 HydrophobicContact CE2-CD1 4.11Å; F127-I170 HydrophobicContact CE2-CG1 3.88Å; F127-I170 HydrophobicContact CE2-CG2 3.89Å; F127-I170 HydrophobicContact CZ-CB 4.48Å; F127-I170 HydrophobicContact CZ-CD1 4.36Å; F127-I170 HydrophobicContact CZ-CG1 4.26Å; F127-I170 HydrophobicContact CZ-CG2 3.43Å; F127-I170 VanDerWaalsContact CZ-CG2 3.43Å; L155-I170 HydrophobicContact CD1-CD1 4.38Å; L155-I170 HydrophobicContact CD1-CG2 3.7Å; L155-I170 HydrophobicContact CD2-CD1 3.67Å; L166-I170 HydrophobicContact CD1-CD1 3.72Å; L166-I170 HydrophobicContact CD1-CG1 4.24Å; L166-I170 HydrophobicContact CG-CD1 3.89Å; L166-I170 VanDerWaalsContact O-CG1 3.27Å; L166-I170 WeakPolarHBondContact O-CG1 3.45Å; L166-I170 PolarHBondContact O-N 2.79Å; L167-I170 PolarHBondContact O-N 3.47Å; L168-I170 VanDerWaalsContact C-N 3.28Å; L168-I170 PolarHBondContact O-N 2.7Å; I170-D172 VanDerWaalsContact C-N 3.34Å; I170-Y174 WeakPolarHBondContact O-CB 3.26Å; I170-Y174 PolarHBondContact O-N 2.75Å
171L89.8Confident86.6Confident1 Ų127 Ų271%0.00516%0.162CC..Hα-helixtrans-65.2-37.6176-74.8172.2000112L167 L168 F198 A213 I214 S217L167-L171 HydrophobicContact CD1-CD1 4.35Å; L167-L171 HydrophobicContact CD1-CG 4.31Å; L167-L171 HydrophobicContact CG-CD1 4.04Å; L167-L171 HydrophobicContact CG-CG 4.44Å; L167-L171 WeakPolarHBondContact O-CB 3.11Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.49Å; L167-L171 PolarHBondContact O-N 2.76Å; L168-L171 WeakPolarHBondContact O-CA 3.46Å; L168-L171 WeakPolarHBondContact O-CB 3.26Å; L168-L171 PolarHBondContact O-N 2.74Å; L171-F198 HydrophobicContact CD2-CD1 3.58Å; L171-F198 HydrophobicContact CD2-CE1 3.66Å; L171-A213 HydrophobicContact CD1-CB 4.34Å; L171-I214 HydrophobicContact CD1-CG1 3.67Å; L171-I214 HydrophobicContact CD2-CG1 3.85Å; L171-I214 HydrophobicContact CG-CG1 4.42Å; L171-S217 VanDerWaalsContact C-OG 3.28Å; L171-S217 WeakPolarHBondContact CB-OG 3.45Å; L171-S217 WeakPolarHBondContact O-CB 3.46Å; L171-S217 PolarHBondContact O-OG 2.78Å
172D88.8Confident87.1Confident90 Ų9022.3 Ų22.348%0.48114%0.14SC..Hα-helixtrans-69.6-38178.7-61.3-30.6000112.4L168 H169 I170 S217L168-D172 PolarHBondContact O-N 2.78Å; H169-D172 PolarHBondContact O-N 3.1Å; I170-D172 VanDerWaalsContact C-N 3.34Å; D172-S217 WeakPolarHBondContact OD1-CB 3.46Å
173L89.9Confident87.2Confident9 Ų923 Ų235%0.04715%0.147CC..Hα-helixtrans-84.9-23.4179.168.790.9000114.4V123 F127 H169 M175 T176 E177V123-L173 HydrophobicContact CB-CD2 4.35Å; V123-L173 HydrophobicContact CG1-CD2 3.69Å; F127-L173 HydrophobicContact CB-CD1 3.75Å; F127-L173 HydrophobicContact CD1-CD1 4.21Å; F127-L173 HydrophobicContact CD2-CD1 3.83Å; F127-L173 HydrophobicContact CG-CD1 3.65Å; H169-L173 VanDerWaalsContact CD2-CD2 3.43Å; H169-L173 WeakPolarHBondContact CD2-CD2 3.33Å; H169-L173 WeakPolarHBondContact NE2-CD2 3.44Å; H169-L173 WeakPolarHBondContact O-CD2 3.43Å; H169-L173 VanDerWaalsContact O-CG 3.27Å; H169-L173 WeakPolarHBondContact O-CG 3.39Å; H169-L173 PolarHBondContact O-N 2.82Å; L173-M175 PolarHBondContact O-N 3.4Å; L173-T176 PolarHBondContact O-N 3.11Å; L173-T176 VanDerWaalsContact O-N 3.08Å; L173-T176 PolarHBondContact O-OG1 3.34Å; L173-E177 HydrophobicContact CB-CG 4.14Å; L173-E177 HydrophobicContact CD1-CB 4.3Å; L173-E177 HydrophobicContact CD1-CG 3.74Å; L173-E177 WeakPolarHBondContact O-CG 3.4Å; L173-E177 PolarHBondContact O-N 2.79Å
174Y90.1Very high86.8Confident0 Ų029 Ų290%017%0.173CC..Hα-helixtrans-52.6-50.3-165.5-173-102.9000113.5F127 F131 L151 I170 E177 L178 F194 F198 L218F127-Y174 HydrophobicContact CD1-CD2 4.31Å; F127-Y174 HydrophobicContact CE1-CD2 4.07Å; F127-Y174 HydrophobicContact CE1-CE2 4.4Å; F131-Y174 HydrophobicContact CE1-CE2 4.33Å; F131-Y174 HydrophobicContact CZ-CD2 4.06Å; F131-Y174 AromaticContact CZ-CE2 3.74Å; F131-Y174 HydrophobicContact CZ-CE2 3.74Å; L151-Y174 HydrophobicContact CD1-CE2 3.77Å; I170-Y174 WeakPolarHBondContact O-CB 3.26Å; I170-Y174 PolarHBondContact O-N 2.75Å; Y174-E177 PolarHBondContact O-N 2.88Å; Y174-L178 WeakPolarHBondContact O-CB 3.44Å; Y174-L178 PolarHBondContact O-N 3.34Å; Y174-L178 VanDerWaalsContact O-N 3.07Å; Y174-F194 PolarHBondContact OH-O 3.35Å; Y174-F198 HydrophobicContact CD1-CE2 4.14Å; Y174-F198 HydrophobicContact CD1-CZ 4.41Å; Y174-F198 HydrophobicContact CD2-CE2 4.38Å; Y174-F198 HydrophobicContact CD2-CZ 4.1Å; Y174-F198 HydrophobicContact CE1-CD2 4.27Å; Y174-F198 AromaticContact CE1-CE2 3.65Å; Y174-F198 HydrophobicContact CE1-CE2 3.65Å; Y174-F198 HydrophobicContact CE1-CZ 4.28Å; Y174-F198 AromaticContact CE2-CE2 3.93Å; Y174-F198 HydrophobicContact CE2-CE2 3.93Å; Y174-F198 AromaticContact CE2-CZ 3.97Å; Y174-F198 HydrophobicContact CE2-CZ 3.97Å; Y174-F198 HydrophobicContact CG-CE2 4.47Å; Y174-F198 HydrophobicContact CG-CZ 4.31Å; Y174-F198 AromaticContact CZ-CE2 3.52Å; Y174-L218 HydrophobicContact CD1-CD2 4.23Å
175M87.1Confident86.5Confident0 Ų028.7 Ų28.70%016%0.162CC..Hα-helixtrans-63.1-49.2178.2-59.4-56-59.400111.3L173 E177 L178 A179 I195 S217 L218 T221 I222 L297 F299L173-M175 PolarHBondContact O-N 3.4Å; M175-E177 VanDerWaalsContact C-N 3.25Å; M175-E177 PolarHBondContact O-N 2.68Å; M175-L178 PolarHBondContact O-N 3.04Å; M175-A179 WeakPolarHBondContact O-CB 3.44Å; M175-A179 PolarHBondContact O-N 3.42Å; M175-I195 HydrophobicContact CE-CD1 4.26Å; M175-I195 HydrophobicContact SD-CD1 4.41Å; M175-S217 WeakPolarHBondContact CG-O 3.24Å; M175-L218 HydrophobicContact CG-CD2 3.69Å; M175-L218 HydrophobicContact SD-CB 4.49Å; M175-L218 HydrophobicContact SD-CD2 3.82Å; M175-T221 HydrophobicContact CB-CG2 4.21Å; M175-T221 HydrophobicContact CG-CG2 4.48Å; M175-I222 HydrophobicContact CE-CD1 3.79Å; M175-I222 HydrophobicContact CE-CG1 3.51Å; M175-I222 HydrophobicContact SD-CD1 4.36Å; M175-L297 HydrophobicContact CE-CD1 4.11Å; M175-F299 HydrophobicContact CE-CE2 4Å; M175-F299 HydrophobicContact CE-CZ 3.68Å
176T89Confident86.3Confident54 Ų5428.1 Ų28.133%0.33115%0.153SC..Hα-helixtrans-62.1-30.7-177.870.90000113.4L173 A180L173-T176 PolarHBondContact O-N 3.11Å; L173-T176 VanDerWaalsContact O-N 3.08Å; L173-T176 PolarHBondContact O-OG1 3.34Å; T176-A180 WeakPolarHBondContact O-CB 3.39Å; T176-A180 PolarHBondContact O-N 3.33Å
177E89.7Confident86Confident0 Ų031.6 Ų31.60%017%0.174CC..Hα-helixtrans-88.9-24.9-179.8-62.7-53116.300113.4R124 F127 R128 F131 L173 Y174 M175 V181R124-E177 VanDerWaalsContact CG-CD 3.4Å; R124-E177 HydrophobicContact CG-CG 4.03Å; R124-E177 WeakPolarHBondContact CG-OE1 3.47Å; R124-E177 IonicContact CZ-OE1 3.92Å; R124-E177 VanDerWaalsContact CZ-OE1 3.27Å; R124-E177 IonicContact NE-OE1 3.74Å; R124-E177 PolarHBondContact NE-OE1 2.89Å; R124-E177 IonicContact NH2-OE1 3.17Å; R124-E177 PolarHBondContact NH2-OE1 2.9Å; F127-E177 HydrophobicContact CB-CB 4.26Å; F127-E177 HydrophobicContact CB-CG 4.44Å; R128-E177 WeakPolarHBondContact CB-OE2 3.37Å; R128-E177 IonicContact CZ-OE1 3.43Å; R128-E177 IonicContact CZ-OE2 3.11Å; R128-E177 VanDerWaalsContact CZ-OE2 3.24Å; R128-E177 IonicContact NE-OE2 2.87Å; R128-E177 PolarHBondContact NE-OE2 3.28Å; R128-E177 VanDerWaalsContact NH2-CD 3.26Å; R128-E177 IonicContact NH2-OE1 2.72Å; R128-E177 PolarHBondContact NH2-OE1 3.04Å; R128-E177 IonicContact NH2-OE2 2.75Å; R128-E177 PolarHBondContact NH2-OE2 3.27Å; F131-E177 HydrophobicContact CD2-CB 4.16Å; F131-E177 VanDerWaalsContact CD2-O 3.29Å; F131-E177 WeakPolarHBondContact CD2-O 3.41Å; F131-E177 HydrophobicContact CE2-CB 3.9Å; L173-E177 HydrophobicContact CB-CG 4.14Å; L173-E177 HydrophobicContact CD1-CB 4.3Å; L173-E177 HydrophobicContact CD1-CG 3.74Å; L173-E177 WeakPolarHBondContact O-CG 3.4Å; L173-E177 PolarHBondContact O-N 2.79Å; Y174-E177 PolarHBondContact O-N 2.88Å; M175-E177 VanDerWaalsContact C-N 3.25Å; M175-E177 PolarHBondContact O-N 2.68Å; E177-V181 WeakPolarHBondContact O-CG2 3.23Å
178L87.4Confident85.6Confident0 Ų032.5 Ų32.50%018%0.183CC..Hα-helixtrans-72-46.4168.9-177.962.6000110.1F131 W139 Y174 M175 V181 G182 L186 F194 L297F131-L178 HydrophobicContact CD1-CD1 3.83Å; F131-L178 HydrophobicContact CE1-CB 4.45Å; F131-L178 HydrophobicContact CE1-CD1 3.76Å; F131-L178 HydrophobicContact CE2-CB 4.15Å; F131-L178 HydrophobicContact CG-CD1 4.37Å; F131-L178 HydrophobicContact CZ-CB 4.06Å; F131-L178 HydrophobicContact CZ-CD1 4.23Å; W139-L178 HydrophobicContact CZ3-CD1 4.38Å; Y174-L178 WeakPolarHBondContact O-CB 3.44Å; Y174-L178 PolarHBondContact O-N 3.34Å; Y174-L178 VanDerWaalsContact O-N 3.07Å; M175-L178 PolarHBondContact O-N 3.04Å; L178-V181 PolarHBondContact O-N 3.29Å; L178-G182 PolarHBondContact O-N 3.47Å; L178-L186 HydrophobicContact CD1-CD1 3.64Å; L178-L186 HydrophobicContact CG-CD1 4.08Å; L178-F194 HydrophobicContact CD1-CD1 4.39Å; L178-F194 HydrophobicContact CD1-CD2 4.23Å; L178-F194 HydrophobicContact CD1-CE1 4.44Å; L178-F194 HydrophobicContact CD1-CE2 4.29Å; L178-F194 HydrophobicContact CD1-CG 4.3Å; L178-F194 HydrophobicContact CD1-CZ 4.4Å; L178-F194 HydrophobicContact CD2-CB 3.89Å; L178-F194 HydrophobicContact CD2-CD2 4.26Å; L178-F194 HydrophobicContact CD2-CG 4.03Å; L178-L297 HydrophobicContact CB-CD1 4.09Å; L178-L297 HydrophobicContact CD2-CD1 3.89Å; L178-L297 HydrophobicContact CG-CD1 3.87Å; L178-L297 HydrophobicContact CG-CD2 4.35Å
179A87Confident85.3Confident3 Ų334.4 Ų34.43%0.02519%0.194CC..Hα-helixtrans-61.6-48.4179.300000112.1M175 V181 G182 A183 P295 L297M175-A179 WeakPolarHBondContact O-CB 3.44Å; M175-A179 PolarHBondContact O-N 3.42Å; A179-V181 PolarHBondContact O-N 3.34Å; A179-G182 PolarHBondContact O-N 3.1Å; A179-A183 VanDerWaalsContact O-CB 3.3Å; A179-A183 WeakPolarHBondContact O-CB 3.3Å; A179-A183 PolarHBondContact O-N 2.92Å; A179-A183 VanDerWaalsContact O-N 3.16Å; A179-P295 VanDerWaalsContact CB-O 3.31Å; A179-P295 WeakPolarHBondContact CB-O 3.44Å; A179-L297 HydrophobicContact CB-CD1 3.81Å; A179-L297 HydrophobicContact CB-CD2 4.44Å; A179-L297 HydrophobicContact CB-CG 3.66Å
180A86.3Confident84.9Confident40 Ų4035.6 Ų35.633%0.33120%0.199SC..Hα-helixtrans-66.46.4177.100000115.5T176T176-A180 WeakPolarHBondContact O-CB 3.39Å; T176-A180 PolarHBondContact O-N 3.33Å
181V84.3Confident84.8Confident11 Ų1135.6 Ų35.67%0.06720%0.199CC..Hα-helixtrans-129.7-36.7174.3179.10000112.2R128 F131 R135 W139 E177 L178 A179R128-V181 HydrophobicContact CG-CG2 3.56Å; F131-V181 HydrophobicContact CB-CB 4Å; F131-V181 HydrophobicContact CB-CG1 3.88Å; F131-V181 HydrophobicContact CB-CG2 4.11Å; R135-V181 HydrophobicContact CB-CG1 4.12Å; R135-V181 WeakPolarHBondContact CD-O 3.49Å; R135-V181 HydrophobicContact CG-CG1 4.47Å; R135-V181 PolarHBondContact NH1-O 3.21Å; W139-V181 HydrophobicContact CH2-CG1 4.19Å; W139-V181 HydrophobicContact CZ2-CG1 4.44Å; E177-V181 WeakPolarHBondContact O-CG2 3.23Å; L178-V181 PolarHBondContact O-N 3.29Å; A179-V181 PolarHBondContact O-N 3.34Å
182G78.3Confident84.5Confident0 Ų036.8 Ų36.80%021%0.206CC..Hα-helixtrans-123.31.8-168.400000116.9L178 A179 E184 E185 L186L178-G182 PolarHBondContact O-N 3.47Å; A179-G182 PolarHBondContact O-N 3.1Å; G182-E184 PolarHBondContact O-N 3.45Å; G182-E184 VanDerWaalsContact O-N 3.17Å; G182-E185 PolarHBondContact O-N 2.9Å; G182-L186 VanDerWaalsContact O-CB 3.27Å; G182-L186 WeakPolarHBondContact O-CB 3.3Å; G182-L186 WeakPolarHBondContact O-CG 3.35Å; G182-L186 PolarHBondContact O-N 2.9Å
183A79.9Confident84.5Confident25 Ų2536.9 Ų36.921%0.20721%0.205CC..THydrogen-bonded Turntrans-53.7-35.4177.800000113.8A179 E185 P295 V296A179-A183 VanDerWaalsContact O-CB 3.3Å; A179-A183 WeakPolarHBondContact O-CB 3.3Å; A179-A183 PolarHBondContact O-N 2.92Å; A179-A183 VanDerWaalsContact O-N 3.16Å; A183-E185 VanDerWaalsContact C-N 3.34Å; A183-E185 PolarHBondContact O-N 3.42Å; A183-P295 HydrophobicContact CB-CB 3.81Å; A183-V296 WeakPolarHBondContact CB-O 3.43Å
184E75.4Confident84.4Confident151 Ų15136.5 Ų36.571%0.70620%0.203SC*.THydrogen-bonded Turntrans-76.9-11.9179.5-55.7163.3154.300114.3R135 G182R135-E184 IonicContact CZ-OE2 2.76Å; R135-E184 VanDerWaalsContact CZ-OE2 3.28Å; R135-E184 IonicContact NH1-OE2 3.69Å; R135-E184 PolarHBondContact NH1-OE2 3.25Å; R135-E184 IonicContact NH2-OE2 2.79Å; R135-E184 PolarHBondContact NH2-OE2 3.07Å; G182-E184 PolarHBondContact O-N 3.45Å; G182-E184 VanDerWaalsContact O-N 3.17Å
185E78.8Confident84.3Confident82 Ų8236.5 Ų36.538%0.38320%0.203SC..THydrogen-bonded Turntrans-135.5-21.9-166.6-70.8-176.5-169.500115R135 W139 G182 A183R135-E185 WeakPolarHBondContact CG-OE2 3.31Å; R135-E185 IonicContact CZ-OE1 3.37Å; R135-E185 IonicContact NE-OE1 3.27Å; R135-E185 PolarHBondContact NE-OE1 3.07Å; R135-E185 IonicContact NE-OE2 3.74Å; R135-E185 PolarHBondContact NE-OE2 3.37Å; R135-E185 IonicContact NH2-OE1 2.66Å; R135-E185 PolarHBondContact NH2-OE1 2.99Å; W139-E185 PolarHBondContact NE1-OE2 3.41Å; G182-E185 PolarHBondContact O-N 2.9Å; A183-E185 VanDerWaalsContact C-N 3.34Å; A183-E185 PolarHBondContact O-N 3.42Å
186L81.8Confident84.3Confident11 Ų1139.7 Ų39.76%0.05822%0.218CC..  trans-88.6120-173.8-74169.7000111.3W139 L178 G182 Q190 N191 F194 L297W139-L186 HydrophobicContact CB-CD2 4.35Å; W139-L186 HydrophobicContact CD2-CD2 3.41Å; W139-L186 VanDerWaalsContact CD2-CD2 3.41Å; W139-L186 HydrophobicContact CD2-CG 4.15Å; W139-L186 HydrophobicContact CE3-CD2 3.6Å; W139-L186 HydrophobicContact CE3-CG 4.39Å; W139-L186 HydrophobicContact CG-CD2 3.75Å; W139-L186 HydrophobicContact CH2-CD1 3.89Å; W139-L186 HydrophobicContact CH2-CD2 4.29Å; W139-L186 HydrophobicContact CH2-CG 4.21Å; W139-L186 HydrophobicContact CZ2-CD1 4.13Å; W139-L186 HydrophobicContact CZ2-CD2 4.17Å; W139-L186 HydrophobicContact CZ2-CG 3.98Å; W139-L186 HydrophobicContact CZ3-CD1 4.1Å; W139-L186 HydrophobicContact CZ3-CD2 4.03Å; W139-L186 HydrophobicContact CZ3-CG 4.41Å; L178-L186 HydrophobicContact CD1-CD1 3.64Å; L178-L186 HydrophobicContact CG-CD1 4.08Å; G182-L186 VanDerWaalsContact O-CB 3.27Å; G182-L186 WeakPolarHBondContact O-CB 3.3Å; G182-L186 WeakPolarHBondContact O-CG 3.35Å; G182-L186 PolarHBondContact O-N 2.9Å; L186-Q190 HydrophobicContact CD2-CB 4.05Å; L186-N191 VanDerWaalsContact CB-OD1 3.23Å; L186-N191 WeakPolarHBondContact CB-OD1 3.27Å; L186-N191 VanDerWaalsContact CD1-OD1 3.27Å; L186-N191 WeakPolarHBondContact CD1-OD1 3.4Å; L186-N191 PolarHBondContact O-ND2 3.12Å; L186-F194 HydrophobicContact CD1-CE2 4.45Å; L186-F194 HydrophobicContact CD2-CE2 3.93Å; L186-L297 HydrophobicContact CD1-CD2 4.16Å
187T82.1Confident84.3Confident74 Ų7438 Ų3845%0.45421%0.208SC..  trans-67.5154.3171.470.50000111.3D189 Q190 N191T187-D189 PolarHBondContact O-N 2.92Å; T187-Q190 WeakPolarHBondContact O-CB 3.23Å; T187-Q190 PolarHBondContact O-N 2.94Å; T187-Q190 WeakPolarHBondContact OG1-CG 3.34Å; T187-N191 PolarHBondContact O-N 3.19Å; T187-N191 VanDerWaalsContact O-N 3.09Å; T187-N191 PolarHBondContact O-ND2 3.23Å
188A82.3Confident84.1Confident29 Ų2938 Ų3824%0.2421%0.208CC..Hα-helixtrans-47.9-45.6176.400000112.9Q190 N191 L192 D300A188-Q190 PolarHBondContact O-N 3.37Å; A188-N191 WeakPolarHBondContact O-CB 3.08Å; A188-N191 PolarHBondContact O-N 3.29Å; A188-L192 WeakPolarHBondContact O-CG 3.32Å; A188-L192 PolarHBondContact O-N 2.93Å; A188-L192 VanDerWaalsContact O-N 3.16Å; A188-D300 HydrophobicContact CB-CB 4.44Å
189D81.4Confident84Confident105 Ų10538.2 Ų38.256%0.56121%0.21SC*.Hα-helixtrans-60.2-42.5176.7-72-44.4000113.4T187 N191 L192 I193T187-D189 PolarHBondContact O-N 2.92Å; D189-N191 VanDerWaalsContact C-N 3.29Å; D189-N191 PolarHBondContact O-N 3.08Å; D189-L192 WeakPolarHBondContact O-CB 3.15Å; D189-L192 PolarHBondContact O-N 3.4Å; D189-I193 PolarHBondContact O-N 3.2Å
190Q83.4Confident84Confident61 Ų6143.8 Ų43.829%0.28523%0.23SC..Hα-helixtrans-64.6-38.9178.4-69173.9-3.300110.6L186 T187 A188 L192 I193 F194L186-Q190 HydrophobicContact CD2-CB 4.05Å; T187-Q190 WeakPolarHBondContact O-CB 3.23Å; T187-Q190 PolarHBondContact O-N 2.94Å; T187-Q190 WeakPolarHBondContact OG1-CG 3.34Å; A188-Q190 PolarHBondContact O-N 3.37Å; Q190-L192 VanDerWaalsContact C-N 3.3Å; Q190-L192 PolarHBondContact O-N 3.13Å; Q190-I193 WeakPolarHBondContact O-CB 3.46Å; Q190-I193 PolarHBondContact O-N 2.96Å; Q190-I193 VanDerWaalsContact O-N 3.13Å; Q190-F194 VanDerWaalsContact O-CD2 3.26Å; Q190-F194 WeakPolarHBondContact O-CD2 3.4Å; Q190-F194 PolarHBondContact O-N 3.12Å
191N87.1Confident83.9Confident1 Ų142.9 Ų42.91%0.00522%0.218CC..Hα-helixtrans-62.9-35.2176-65.6-34.9000112.2L186 T187 A188 D189 I193 F194 I195 Q298 F299L186-N191 VanDerWaalsContact CB-OD1 3.23Å; L186-N191 WeakPolarHBondContact CB-OD1 3.27Å; L186-N191 VanDerWaalsContact CD1-OD1 3.27Å; L186-N191 WeakPolarHBondContact CD1-OD1 3.4Å; L186-N191 PolarHBondContact O-ND2 3.12Å; T187-N191 PolarHBondContact O-N 3.19Å; T187-N191 VanDerWaalsContact O-N 3.09Å; T187-N191 PolarHBondContact O-ND2 3.23Å; A188-N191 WeakPolarHBondContact O-CB 3.08Å; A188-N191 PolarHBondContact O-N 3.29Å; D189-N191 VanDerWaalsContact C-N 3.29Å; D189-N191 PolarHBondContact O-N 3.08Å; N191-I193 PolarHBondContact O-N 2.78Å; N191-F194 PolarHBondContact O-N 3.28Å; N191-I195 PolarHBondContact O-N 3.12Å; N191-Q298 PolarHBondContact ND2-O 3.43Å; N191-F299 HydrophobicContact CB-CD1 3.83Å; N191-F299 HydrophobicContact CB-CE1 3.36Å; N191-F299 HydrophobicContact CB-CZ 3.88Å
192L85.5Confident84Confident26 Ų2642.3 Ų42.314%0.13622%0.215CC..Hα-helixtrans-62.1-40.3172.3-60.6177.6000112.5A188 D189 Q190 F194 I195 E196 F299 D300 A303 L304A188-L192 WeakPolarHBondContact O-CG 3.32Å; A188-L192 PolarHBondContact O-N 2.93Å; A188-L192 VanDerWaalsContact O-N 3.16Å; D189-L192 WeakPolarHBondContact O-CB 3.15Å; D189-L192 PolarHBondContact O-N 3.4Å; Q190-L192 VanDerWaalsContact C-N 3.3Å; Q190-L192 PolarHBondContact O-N 3.13Å; L192-F194 VanDerWaalsContact C-N 3.31Å; L192-F194 PolarHBondContact O-N 3.39Å; L192-I195 PolarHBondContact O-N 3.01Å; L192-E196 PolarHBondContact O-N 3.16Å; L192-F299 HydrophobicContact CD2-CD1 4.18Å; L192-D300 HydrophobicContact CD1-CB 4.46Å; L192-A303 HydrophobicContact CD1-CB 3.69Å; L192-L304 HydrophobicContact CD2-CB 3.67Å; L192-L304 HydrophobicContact CD2-CD1 3.92Å; L192-L304 HydrophobicContact CD2-CG 4.26Å
193I88.1Confident84.3Confident92 Ų9242.5 Ų42.547%0.47222%0.217SC..Hα-helixtrans-61.2-40.2178.3-60.8170.1000110.7V144 L148 D189 Q190 N191 I195 E196 P197V144-I193 HydrophobicContact CG1-CG2 4.43Å; L148-I193 HydrophobicContact CD1-CG2 3.83Å; L148-I193 WeakPolarHBondContact CD1-O 3.4Å; D189-I193 PolarHBondContact O-N 3.2Å; Q190-I193 WeakPolarHBondContact O-CB 3.46Å; Q190-I193 PolarHBondContact O-N 2.96Å; Q190-I193 VanDerWaalsContact O-N 3.13Å; N191-I193 PolarHBondContact O-N 2.78Å; I193-I195 VanDerWaalsContact C-N 3.33Å; I193-I195 PolarHBondContact O-N 3.29Å; I193-E196 PolarHBondContact O-N 3.42Å; I193-P197 WeakPolarHBondContact O-CD 3.47Å
194F87Confident84.6Confident2 Ų247.6 Ų47.61%0.00923%0.234CC..Hα-helixtrans-64.7-31.7177-79-74.5000113.8F131 L134 W139 V144 F147 L148 Y174 L178 L186 Q190 N191 L192F131-F194 HydrophobicContact CE1-CD1 4.41Å; F131-F194 HydrophobicContact CE1-CE1 4.25Å; L134-F194 HydrophobicContact CD1-CE1 4.03Å; L134-F194 HydrophobicContact CD1-CZ 4.16Å; W139-F194 HydrophobicContact CE3-CE2 4.13Å; W139-F194 AromaticContact CE3-CZ 3.84Å; W139-F194 HydrophobicContact CE3-CZ 3.84Å; W139-F194 HydrophobicContact CZ3-CE2 4.27Å; W139-F194 AromaticContact CZ3-CZ 3.89Å; W139-F194 HydrophobicContact CZ3-CZ 3.89Å; V144-F194 HydrophobicContact CB-CZ 4.47Å; V144-F194 HydrophobicContact CG1-CD1 4.44Å; V144-F194 HydrophobicContact CG1-CE1 3.84Å; V144-F194 HydrophobicContact CG1-CE2 4.27Å; V144-F194 HydrophobicContact CG1-CZ 3.73Å; V144-F194 HydrophobicContact CG2-CZ 3.9Å; F147-F194 HydrophobicContact CD1-CE1 4.33Å; F147-F194 HydrophobicContact CE1-CE1 4.3Å; L148-F194 HydrophobicContact CD2-CD1 3.98Å; Y174-F194 PolarHBondContact OH-O 3.35Å; L178-F194 HydrophobicContact CD1-CD1 4.39Å; L178-F194 HydrophobicContact CD1-CD2 4.23Å; L178-F194 HydrophobicContact CD1-CE1 4.44Å; L178-F194 HydrophobicContact CD1-CE2 4.29Å; L178-F194 HydrophobicContact CD1-CG 4.3Å; L178-F194 HydrophobicContact CD1-CZ 4.4Å; L178-F194 HydrophobicContact CD2-CB 3.89Å; L178-F194 HydrophobicContact CD2-CD2 4.26Å; L178-F194 HydrophobicContact CD2-CG 4.03Å; L186-F194 HydrophobicContact CD1-CE2 4.45Å; L186-F194 HydrophobicContact CD2-CE2 3.93Å; Q190-F194 VanDerWaalsContact O-CD2 3.26Å; Q190-F194 WeakPolarHBondContact O-CD2 3.4Å; Q190-F194 PolarHBondContact O-N 3.12Å; N191-F194 PolarHBondContact O-N 3.28Å; L192-F194 VanDerWaalsContact C-N 3.31Å; L192-F194 PolarHBondContact O-N 3.39Å
195I88.3Confident85Confident0 Ų040.5 Ų40.50%020%0.201CC..Hα-helixtrans-87-26.7179.7-55.6176.3000111.7M175 N191 L192 I193 P197 F198 C199 L218 F219 I222 F299M175-I195 HydrophobicContact CE-CD1 4.26Å; M175-I195 HydrophobicContact SD-CD1 4.41Å; N191-I195 PolarHBondContact O-N 3.12Å; L192-I195 PolarHBondContact O-N 3.01Å; I193-I195 VanDerWaalsContact C-N 3.33Å; I193-I195 PolarHBondContact O-N 3.29Å; I195-P197 VanDerWaalsContact C-N 3.34Å; I195-P197 VanDerWaalsContact O-N 3.07Å; I195-F198 WeakPolarHBondContact O-CA 3.33Å; I195-F198 WeakPolarHBondContact O-CB 3.25Å; I195-F198 PolarHBondContact O-N 2.9Å; I195-C199 VanDerWaalsContact CG2-SG 3.57Å; I195-C199 PolarHBondContact O-N 3.31Å; I195-L218 HydrophobicContact CG2-CD1 4.37Å; I195-F219 HydrophobicContact CG2-CE1 4.16Å; I195-I222 HydrophobicContact CD1-CD1 3.43Å; I195-I222 VanDerWaalsContact CD1-CD1 3.43Å; I195-F299 HydrophobicContact CD1-CD1 4.17Å; I195-F299 HydrophobicContact CD1-CE1 3.25Å; I195-F299 HydrophobicContact CD1-CZ 3.63Å; I195-F299 HydrophobicContact CG1-CE1 4.27Å
196E87.9Confident85.1Confident66 Ų6645.1 Ų45.131%0.30822%0.22SC..Hα-helixtrans-47.7-41.8-172.7-150-135.2177.900115.5L192 I193 F198 C199 R200L192-E196 PolarHBondContact O-N 3.16Å; I193-E196 PolarHBondContact O-N 3.42Å; E196-F198 VanDerWaalsContact C-N 3.29Å; E196-F198 PolarHBondContact O-N 2.87Å; E196-C199 PolarHBondContact O-N 3.23Å; E196-R200 WeakPolarHBondContact O-CB 3.32Å; E196-R200 WeakPolarHBondContact O-CG 3.44Å; E196-R200 PolarHBondContact O-N 3.27Å; E196-R200 IonicContact OE1-CZ 2.7Å; E196-R200 IonicContact OE1-NE 2.75Å; E196-R200 PolarHBondContact OE1-NE 2.72Å; E196-R200 IonicContact OE1-NH2 3.89Å; E196-R200 PolarHBondContact OE1-NH2 3.09Å; E196-R200 IonicContact OE2-CZ 2.67Å; E196-R200 IonicContact OE2-NE 2.97Å; E196-R200 PolarHBondContact OE2-NE 3.38Å; E196-R200 IonicContact OE2-NH2 3.72Å
197P87.4Confident85.2Confident18 Ų1848.2 Ų48.212%0.11724%0.236CC..Hα-helixtrans-61.8-35.7175.5-23.335.7000113.2L148 L156 I193 I195 K201L148-P197 HydrophobicContact CB-CG 4.3Å; L148-P197 HydrophobicContact CD1-CG 4.45Å; L148-P197 HydrophobicContact CD2-CG 4.3Å; L156-P197 HydrophobicContact CD1-CB 3.65Å; I193-P197 WeakPolarHBondContact O-CD 3.47Å; I195-P197 VanDerWaalsContact C-N 3.34Å; I195-P197 VanDerWaalsContact O-N 3.07Å; P197-K201 WeakPolarHBondContact O-CB 3.37Å; P197-K201 PolarHBondContact O-N 3.45Å
198F86.9Confident85.3Confident1 Ų149.7 Ų49.70%0.00424%0.238CC..Hα-helixtrans-76-38.9178.3-57.5-87.7000111.6L156 L171 Y174 I195 E196 R200 K201 A202 L218L156-F198 HydrophobicContact CD1-CD1 4.31Å; L156-F198 HydrophobicContact CD1-CE1 4.43Å; L156-F198 HydrophobicContact CD2-CD1 3.96Å; L156-F198 HydrophobicContact CD2-CE1 3.96Å; L171-F198 HydrophobicContact CD2-CD1 3.58Å; L171-F198 HydrophobicContact CD2-CE1 3.66Å; Y174-F198 HydrophobicContact CD1-CE2 4.14Å; Y174-F198 HydrophobicContact CD1-CZ 4.41Å; Y174-F198 HydrophobicContact CD2-CE2 4.38Å; Y174-F198 HydrophobicContact CD2-CZ 4.1Å; Y174-F198 HydrophobicContact CE1-CD2 4.27Å; Y174-F198 AromaticContact CE1-CE2 3.65Å; Y174-F198 HydrophobicContact CE1-CE2 3.65Å; Y174-F198 HydrophobicContact CE1-CZ 4.28Å; Y174-F198 AromaticContact CE2-CE2 3.93Å; Y174-F198 HydrophobicContact CE2-CE2 3.93Å; Y174-F198 AromaticContact CE2-CZ 3.97Å; Y174-F198 HydrophobicContact CE2-CZ 3.97Å; Y174-F198 HydrophobicContact CG-CE2 4.47Å; Y174-F198 HydrophobicContact CG-CZ 4.31Å; Y174-F198 AromaticContact CZ-CE2 3.52Å; I195-F198 WeakPolarHBondContact O-CA 3.33Å; I195-F198 WeakPolarHBondContact O-CB 3.25Å; I195-F198 PolarHBondContact O-N 2.9Å; E196-F198 VanDerWaalsContact C-N 3.29Å; E196-F198 PolarHBondContact O-N 2.87Å; F198-R200 PolarHBondContact O-N 3.21Å; F198-K201 CarbonylContact O-C 3.56Å; F198-K201 PolarHBondContact O-N 2.78Å; F198-K201 VanDerWaalsContact O-N 3.12Å; F198-A202 WeakPolarHBondContact O-CB 3.5Å; F198-A202 PolarHBondContact O-N 3.38Å; F198-L218 HydrophobicContact CB-CD1 3.37Å; F198-L218 HydrophobicContact CD1-CD1 4.06Å; F198-L218 HydrophobicContact CD2-CD1 4.24Å; F198-L218 HydrophobicContact CG-CD1 3.65Å
199C85.5Confident85.4Confident5 Ų551.5 Ų51.53%0.03425%0.253CS..Hα-helixtrans-55.9-50.3168.7-67.50000111.1I195 E196 K201 A202 A203 L308 L311I195-C199 VanDerWaalsContact CG2-SG 3.57Å; I195-C199 PolarHBondContact O-N 3.31Å; E196-C199 PolarHBondContact O-N 3.23Å; C199-K201 PolarHBondContact O-N 2.71Å; C199-A202 PolarHBondContact O-N 3.22Å; C199-A203 PolarHBondContact O-N 2.87Å; C199-A203 VanDerWaalsContact O-N 3.16Å; C199-L308 HydrophobicContact CB-CD2 3.91Å; C199-L308 VanDerWaalsContact SG-CD2 3.56Å; C199-L311 HydrophobicContact CB-CD1 3.72Å
200R86.3Confident85.5Confident120 Ų12047.1 Ų47.145%0.45323%0.229SC..Hα-helixtrans-61.7-29.5176.5-71.7177.2178.6-130.89.2112.7E196 F198 K204 L311E196-R200 WeakPolarHBondContact O-CB 3.32Å; E196-R200 WeakPolarHBondContact O-CG 3.44Å; E196-R200 PolarHBondContact O-N 3.27Å; E196-R200 IonicContact OE1-CZ 2.7Å; E196-R200 IonicContact OE1-NE 2.75Å; E196-R200 PolarHBondContact OE1-NE 2.72Å; E196-R200 IonicContact OE1-NH2 3.89Å; E196-R200 PolarHBondContact OE1-NH2 3.09Å; E196-R200 IonicContact OE2-CZ 2.67Å; E196-R200 IonicContact OE2-NE 2.97Å; E196-R200 PolarHBondContact OE2-NE 3.38Å; E196-R200 IonicContact OE2-NH2 3.72Å; F198-R200 PolarHBondContact O-N 3.21Å; R200-K204 WeakPolarHBondContact O-CG 3.37Å; R200-L311 HydrophobicContact CG-CD1 3.91Å; R200-L311 HydrophobicContact CG-CD2 3.94Å
201K85.3Confident85.6Confident20 Ų2044.2 Ų44.29%0.08722%0.216CC..Hα-helixtrans-77.2-44.6174.4-178.662.1175.3-172.80112.2L156 D159 P197 F198 C199 A203 K204 T205 L210 I214L156-K201 HydrophobicContact CB-CB 4.5Å; L156-K201 HydrophobicContact CB-CD 4.26Å; L156-K201 HydrophobicContact CB-CG 4.37Å; L156-K201 HydrophobicContact CD1-CB 4.42Å; L156-K201 HydrophobicContact CD2-CB 4.36Å; L156-K201 HydrophobicContact CD2-CG 4.12Å; L156-K201 WeakPolarHBondContact O-CD 3.23Å; L156-K201 WeakPolarHBondContact O-CE 3.47Å; L156-K201 PolarHBondContact O-NZ 2.88Å; D159-K201 VanDerWaalsContact OD1-CE 3.26Å; D159-K201 WeakPolarHBondContact OD1-CE 3.27Å; D159-K201 IonicContact OD1-NZ 3.51Å; D159-K201 PolarHBondContact OD1-NZ 3.1Å; D159-K201 IonicContact OD2-NZ 3.92Å; D159-K201 PolarHBondContact OD2-NZ 3.47Å; P197-K201 WeakPolarHBondContact O-CB 3.37Å; P197-K201 PolarHBondContact O-N 3.45Å; F198-K201 CarbonylContact O-C 3.56Å; F198-K201 PolarHBondContact O-N 2.78Å; F198-K201 VanDerWaalsContact O-N 3.12Å; C199-K201 PolarHBondContact O-N 2.71Å; K201-A203 PolarHBondContact O-N 2.91Å; K201-K204 PolarHBondContact O-N 2.8Å; K201-K204 VanDerWaalsContact O-N 3.15Å; K201-T205 WeakPolarHBondContact CD-OG1 3.46Å; K201-T205 VanDerWaalsContact CE-OG1 3.32Å; K201-T205 WeakPolarHBondContact CE-OG1 3.43Å; K201-T205 WeakPolarHBondContact O-CB 3.39Å; K201-T205 PolarHBondContact O-N 2.75Å; K201-T205 PolarHBondContact O-OG1 2.72Å; K201-L210 HydrophobicContact CG-CD2 4.44Å; K201-I214 HydrophobicContact CB-CD1 4.43Å; K201-I214 HydrophobicContact CG-CD1 4.05Å
202A84.7Confident85.5Confident0 Ų046 Ų460%023%0.229CC..Hα-helixtrans-57.8-47.8179.800000111.2F198 C199 K204 T205 F211 I214 F219 N321F198-A202 WeakPolarHBondContact O-CB 3.5Å; F198-A202 PolarHBondContact O-N 3.38Å; C199-A202 PolarHBondContact O-N 3.22Å; A202-K204 VanDerWaalsContact C-N 3.28Å; A202-K204 PolarHBondContact O-N 2.77Å; A202-T205 PolarHBondContact O-N 3.43Å; A202-F211 HydrophobicContact CB-CD2 4.13Å; A202-F211 HydrophobicContact CB-CE2 4.06Å; A202-F211 VanDerWaalsContact O-CD2 3.25Å; A202-F211 WeakPolarHBondContact O-CD2 3.27Å; A202-I214 HydrophobicContact CB-CD1 4.45Å; A202-I214 HydrophobicContact CB-CG2 4.09Å; A202-F219 HydrophobicContact CB-CE2 4.44Å; A202-N321 PolarHBondContact O-ND2 2.77Å
203A85.1Confident85.6Confident4 Ų445.4 Ų45.43%0.03323%0.227CC..Hα-helixtrans-55.6-40.1176.200000113C199 K201 L311 T317 P318 L325C199-A203 PolarHBondContact O-N 2.87Å; C199-A203 VanDerWaalsContact O-N 3.16Å; K201-A203 PolarHBondContact O-N 2.91Å; A203-L311 HydrophobicContact CB-CB 4.13Å; A203-T317 WeakPolarHBondContact O-CA 3.46Å; A203-T317 WeakPolarHBondContact O-CG2 3.31Å; A203-P318 WeakPolarHBondContact O-CD 3.35Å; A203-L325 HydrophobicContact CB-CD1 4.42Å
204K85.5Confident85.5Confident132 Ų13241 Ų4157%0.57421%0.205SC*.Hα-helixtrans-93-8.8-173.8-64.6-179.7-179.5-177.80115.5R200 K201 A202 K206R200-K204 WeakPolarHBondContact O-CG 3.37Å; K201-K204 PolarHBondContact O-N 2.8Å; K201-K204 VanDerWaalsContact O-N 3.15Å; A202-K204 VanDerWaalsContact C-N 3.28Å; A202-K204 PolarHBondContact O-N 2.77Å; K204-K206 PolarHBondContact O-N 2.7Å
205T84.3Confident85.4Confident1 Ų141.6 Ų41.61%0.00621%0.209CC..  trans-76.6123.4-168.6-74.10000112.6K201 A202 N207 L210 F211 N321K201-T205 WeakPolarHBondContact CD-OG1 3.46Å; K201-T205 VanDerWaalsContact CE-OG1 3.32Å; K201-T205 WeakPolarHBondContact CE-OG1 3.43Å; K201-T205 WeakPolarHBondContact O-CB 3.39Å; K201-T205 PolarHBondContact O-N 2.75Å; K201-T205 PolarHBondContact O-OG1 2.72Å; A202-T205 PolarHBondContact O-N 3.43Å; T205-N207 HydrophobicContact CG2-CB 4.05Å; T205-N207 VanDerWaalsContact CG2-O 3.25Å; T205-N207 WeakPolarHBondContact CG2-O 3.5Å; T205-L210 HydrophobicContact CG2-CB 4.04Å; T205-L210 HydrophobicContact CG2-CD2 3.95Å; T205-L210 HydrophobicContact CG2-CG 4.4Å; T205-F211 HydrophobicContact CG2-CB 4.14Å; T205-N321 PolarHBondContact O-ND2 3.3Å
206K81.1Confident85.3Confident180 Ų18048.2 Ų48.278%0.78324%0.238SC*.  trans-83.7-16.8173-61.3-175.7180-179.70113.8K204 H208K204-K206 PolarHBondContact O-N 2.7Å; K206-H208 PolarHBondContact O-N 3.02Å
207N83.7Confident85Confident75 Ų7545.4 Ų45.440%0.40123%0.225SC..  trans-83.4103.8178.8-179.8-10.9000110.7T205 A209 L210 F211T205-N207 HydrophobicContact CG2-CB 4.05Å; T205-N207 VanDerWaalsContact CG2-O 3.25Å; T205-N207 WeakPolarHBondContact CG2-O 3.5Å; N207-A209 PolarHBondContact O-N 2.85Å; N207-A209 WeakPolarHBondContact OD1-CB 3.37Å; N207-A209 PolarHBondContact OD1-N 2.92Å; N207-L210 HydrophobicContact CB-CB 3.92Å; N207-L210 PolarHBondContact O-N 3.17Å; N207-L210 VanDerWaalsContact O-N 3.16Å; N207-L210 PolarHBondContact OD1-N 3.17Å; N207-F211 PolarHBondContact O-N 2.78Å
208H83.6Confident84.9Confident106 Ų10644.5 Ų44.549%0.49122%0.219SC..Hα-helixtrans-56.5-31.2-179.8-69.3-77.2000114.4K206 S212 H320K206-H208 PolarHBondContact O-N 3.02Å; H208-S212 WeakPolarHBondContact O-CB 3.47Å; H208-S212 PolarHBondContact O-N 3.42Å; H208-H320 AromaticContact CE1-CD2 3.68Å; H208-H320 AromaticContact CE1-CG 3.56Å; H208-H320 AromaticContact CE1-ND1 3.98Å; H208-H320 AromaticContact ND1-CD2 3.28Å; H208-H320 PolarHBondContact ND1-CD2 3.47Å; H208-H320 VanDerWaalsContact ND1-CD2 3.28Å; H208-H320 AromaticContact ND1-CG 3.63Å; H208-H320 AromaticContact ND1-ND1 4Å
209A84.9Confident84.7Confident67 Ų6744.5 Ų44.555%0.55422%0.219SC*.Hα-helixtrans-72.3-43.6178.100000111.4N207 S212 A213N207-A209 PolarHBondContact O-N 2.85Å; N207-A209 WeakPolarHBondContact OD1-CB 3.37Å; N207-A209 PolarHBondContact OD1-N 2.92Å; A209-S212 PolarHBondContact O-N 3.38Å; A209-A213 WeakPolarHBondContact O-CB 3.37Å; A209-A213 PolarHBondContact O-N 3.5Å
210L83.8Confident84.7Confident12 Ų1246.1 Ų46.16%0.06323%0.231CC..Hα-helixtrans-63.8-44.9175.6-164.6166.8000110.6D159 L167 K201 T205 N207 A213 I214D159-L210 VanDerWaalsContact OD1-CD1 3.23Å; D159-L210 WeakPolarHBondContact OD1-CD1 3.44Å; L167-L210 HydrophobicContact CD2-CD1 3.51Å; L167-L210 HydrophobicContact CD2-CD2 4.31Å; L167-L210 HydrophobicContact CD2-CG 3.77Å; K201-L210 HydrophobicContact CG-CD2 4.44Å; T205-L210 HydrophobicContact CG2-CB 4.04Å; T205-L210 HydrophobicContact CG2-CD2 3.95Å; T205-L210 HydrophobicContact CG2-CG 4.4Å; N207-L210 HydrophobicContact CB-CB 3.92Å; N207-L210 PolarHBondContact O-N 3.17Å; N207-L210 VanDerWaalsContact O-N 3.16Å; N207-L210 PolarHBondContact OD1-N 3.17Å; L210-A213 PolarHBondContact O-N 3.41Å; L210-I214 HydrophobicContact CD2-CD1 3.54Å; L210-I214 HydrophobicContact CD2-CG1 4.17Å; L210-I214 WeakPolarHBondContact O-CG1 3.5Å; L210-I214 PolarHBondContact O-N 3.26Å
211F86.1Confident84.5Confident1 Ų141.9 Ų41.90%0.00422%0.218CC..Hα-helixtrans-59.6-48.5174177.9-95000111.9A202 T205 N207 A213 I214 C215 N321 K324 L325A202-F211 HydrophobicContact CB-CD2 4.13Å; A202-F211 HydrophobicContact CB-CE2 4.06Å; A202-F211 VanDerWaalsContact O-CD2 3.25Å; A202-F211 WeakPolarHBondContact O-CD2 3.27Å; T205-F211 HydrophobicContact CG2-CB 4.14Å; N207-F211 PolarHBondContact O-N 2.78Å; F211-A213 PolarHBondContact O-N 3Å; F211-I214 PolarHBondContact O-N 2.65Å; F211-C215 VanDerWaalsContact CE1-SG 3.55Å; F211-C215 WeakPolarHBondContact CZ-SG 3.39Å; F211-C215 PolarHBondContact O-N 2.96Å; F211-C215 PolarHBondContact O-SG 2.92Å; F211-C215 VanDerWaalsContact O-SG 3.42Å; F211-N321 HydrophobicContact CD2-CB 3.95Å; F211-N321 VanDerWaalsContact CD2-ND2 3.32Å; F211-N321 WeakPolarHBondContact CD2-ND2 3.43Å; F211-N321 HydrophobicContact CE1-CB 4.4Å; F211-N321 HydrophobicContact CE2-CB 3.54Å; F211-N321 HydrophobicContact CZ-CB 3.8Å; F211-K324 HydrophobicContact CD1-CD 4.37Å; F211-K324 HydrophobicContact CE1-CB 3.7Å; F211-K324 HydrophobicContact CE1-CD 3.69Å; F211-K324 HydrophobicContact CE1-CG 4.32Å; F211-K324 HydrophobicContact CZ-CB 3.93Å; F211-L325 HydrophobicContact CE2-CD1 4.37Å; F211-L325 HydrophobicContact CE2-CD2 4.16Å; F211-L325 HydrophobicContact CE2-CG 4.06Å; F211-L325 HydrophobicContact CZ-CD2 4.21Å; F211-L325 HydrophobicContact CZ-CG 4.01Å
212S85.6Confident84.4Confident39 Ų3941 Ų4127%0.27321%0.214SC..Hα-helixtrans-70.7-17.2-179.7-1640000113.9H208 A209 K216H208-S212 WeakPolarHBondContact O-CB 3.47Å; H208-S212 PolarHBondContact O-N 3.42Å; A209-S212 PolarHBondContact O-N 3.38Å; S212-K216 WeakPolarHBondContact O-CG 3.11Å
213A86.1Confident84.2Confident13 Ų1343 Ų4311%0.10722%0.224CC..Hα-helixtrans-75.9-53.6169.100000110.7L168 L171 A209 L210 F211 C215 K216 S217L168-A213 HydrophobicContact CD2-CB 3.26Å; L171-A213 HydrophobicContact CD1-CB 4.34Å; A209-A213 WeakPolarHBondContact O-CB 3.37Å; A209-A213 PolarHBondContact O-N 3.5Å; L210-A213 PolarHBondContact O-N 3.41Å; F211-A213 PolarHBondContact O-N 3Å; A213-C215 PolarHBondContact O-N 2.8Å; A213-K216 PolarHBondContact O-N 3.37Å; A213-S217 PolarHBondContact O-N 3.17Å; A213-S217 PolarHBondContact O-OG 3.47Å
214I86.1Confident84Confident0 Ų048 Ų480%025%0.247CC..Hα-helixtrans-52.8-43.8176.9-64.6173000111.3L171 K201 A202 L210 F211 K216 L218 F219L171-I214 HydrophobicContact CD1-CG1 3.67Å; L171-I214 HydrophobicContact CD2-CG1 3.85Å; L171-I214 HydrophobicContact CG-CG1 4.42Å; K201-I214 HydrophobicContact CB-CD1 4.43Å; K201-I214 HydrophobicContact CG-CD1 4.05Å; A202-I214 HydrophobicContact CB-CD1 4.45Å; A202-I214 HydrophobicContact CB-CG2 4.09Å; L210-I214 HydrophobicContact CD2-CD1 3.54Å; L210-I214 HydrophobicContact CD2-CG1 4.17Å; L210-I214 WeakPolarHBondContact O-CG1 3.5Å; L210-I214 PolarHBondContact O-N 3.26Å; F211-I214 PolarHBondContact O-N 2.65Å; I214-K216 VanDerWaalsContact C-N 3.26Å; I214-K216 PolarHBondContact O-N 2.77Å; I214-L218 HydrophobicContact CG2-CD1 3.89Å; I214-L218 HydrophobicContact CG2-CG 4.27Å; I214-L218 WeakPolarHBondContact O-CB 3.39Å; I214-L218 PolarHBondContact O-N 2.86Å; I214-L218 VanDerWaalsContact O-N 3.09Å; I214-F219 HydrophobicContact CG2-CE2 4.2Å; I214-F219 HydrophobicContact CG2-CZ 4.44Å
215C85.3Confident83.7Confident14 Ų1442.2 Ų42.210%0.09522%0.222CC..Iπ-helixtrans-65.3-26.8179.3-67.80000114F211 A213 F219 S220F211-C215 VanDerWaalsContact CE1-SG 3.55Å; F211-C215 WeakPolarHBondContact CZ-SG 3.39Å; F211-C215 PolarHBondContact O-N 2.96Å; F211-C215 PolarHBondContact O-SG 2.92Å; F211-C215 VanDerWaalsContact O-SG 3.42Å; A213-C215 PolarHBondContact O-N 2.8Å; C215-F219 HydrophobicContact CB-CD2 4.35Å; C215-S220 PolarHBondContact O-N 2.92Å; C215-S220 PolarHBondContact O-OG 3.05Å
216K87Confident83.1Confident139 Ų13942.3 Ų42.360%0.60422%0.223SC*.Iπ-helixtrans-84.3-57.7175.4-73.9-177.8171.8-154.80111.1S212 A213 I214 L218 S220 T221S212-K216 WeakPolarHBondContact O-CG 3.11Å; A213-K216 PolarHBondContact O-N 3.37Å; I214-K216 VanDerWaalsContact C-N 3.26Å; I214-K216 PolarHBondContact O-N 2.77Å; K216-L218 VanDerWaalsContact C-N 3.3Å; K216-L218 PolarHBondContact O-N 3.29Å; K216-S220 VanDerWaalsContact O-CB 3.3Å; K216-S220 WeakPolarHBondContact O-CB 3.21Å; K216-S220 PolarHBondContact O-N 3.27Å; K216-T221 PolarHBondContact O-N 2.95Å; K216-T221 VanDerWaalsContact O-N 3.1Å; K216-T221 PolarHBondContact O-OG1 2.84Å
217S81.8Confident82.3Confident6 Ų637.5 Ų37.54%0.04221%0.21CC..Iπ-helixtrans-73-20.2-168.977.30000114.9L171 D172 M175 A213 T221L171-S217 VanDerWaalsContact C-OG 3.28Å; L171-S217 WeakPolarHBondContact CB-OG 3.45Å; L171-S217 WeakPolarHBondContact O-CB 3.46Å; L171-S217 PolarHBondContact O-OG 2.78Å; D172-S217 WeakPolarHBondContact OD1-CB 3.46Å; M175-S217 WeakPolarHBondContact CG-O 3.24Å; A213-S217 PolarHBondContact O-N 3.17Å; A213-S217 PolarHBondContact O-OG 3.47Å; S217-T221 PolarHBondContact O-OG1 3.32Å
218L85.1Confident81.7Confident0 Ų037.3 Ų37.30%021%0.206CC..Iπ-helixtrans-107.4-68171.8-47.1-172.3000109.5Y174 M175 I195 F198 I214 K216 T221 I222Y174-L218 HydrophobicContact CD1-CD2 4.23Å; M175-L218 HydrophobicContact CG-CD2 3.69Å; M175-L218 HydrophobicContact SD-CB 4.49Å; M175-L218 HydrophobicContact SD-CD2 3.82Å; I195-L218 HydrophobicContact CG2-CD1 4.37Å; F198-L218 HydrophobicContact CB-CD1 3.37Å; F198-L218 HydrophobicContact CD1-CD1 4.06Å; F198-L218 HydrophobicContact CD2-CD1 4.24Å; F198-L218 HydrophobicContact CG-CD1 3.65Å; I214-L218 HydrophobicContact CG2-CD1 3.89Å; I214-L218 HydrophobicContact CG2-CG 4.27Å; I214-L218 WeakPolarHBondContact O-CB 3.39Å; I214-L218 PolarHBondContact O-N 2.86Å; I214-L218 VanDerWaalsContact O-N 3.09Å; K216-L218 VanDerWaalsContact C-N 3.3Å; K216-L218 PolarHBondContact O-N 3.29Å; L218-T221 PolarHBondContact O-N 3.48Å; L218-I222 WeakPolarHBondContact O-CB 3.24Å; L218-I222 VanDerWaalsContact O-CD1 3.27Å; L218-I222 WeakPolarHBondContact O-CD1 3.4Å; L218-I222 WeakPolarHBondContact O-CG1 3.38Å; L218-I222 PolarHBondContact O-N 3.2Å
219F82.8Confident80.9Confident1 Ų132.5 Ų32.50%0.00419%0.185CC..Iπ-helixtrans-71.9-42.4-167.7-52-44.3000114.3I195 A202 I214 C215 I222 I223 L308 L325 V328I195-F219 HydrophobicContact CG2-CE1 4.16Å; A202-F219 HydrophobicContact CB-CE2 4.44Å; I214-F219 HydrophobicContact CG2-CE2 4.2Å; I214-F219 HydrophobicContact CG2-CZ 4.44Å; C215-F219 HydrophobicContact CB-CD2 4.35Å; F219-I222 PolarHBondContact O-N 3.33Å; F219-I223 WeakPolarHBondContact O-CB 3.35Å; F219-I223 WeakPolarHBondContact O-CD1 3.35Å; F219-I223 VanDerWaalsContact O-CG1 3.27Å; F219-I223 WeakPolarHBondContact O-CG1 3.5Å; F219-I223 PolarHBondContact O-N 2.8Å; F219-L308 HydrophobicContact CD1-CD1 4.36Å; F219-L308 HydrophobicContact CE1-CD1 4.09Å; F219-L308 HydrophobicContact CE1-CD2 4.08Å; F219-L308 HydrophobicContact CE2-CD2 4.23Å; F219-L308 HydrophobicContact CZ-CD1 4.33Å; F219-L308 HydrophobicContact CZ-CD2 3.65Å; F219-L325 HydrophobicContact CE2-CD2 4.05Å; F219-V328 HydrophobicContact CB-CG1 3.74Å; F219-V328 HydrophobicContact CB-CG2 4.36Å; F219-V328 HydrophobicContact CD2-CG1 4.16Å; F219-V328 HydrophobicContact CG-CG1 3.93Å
220S83.7Confident79.8Confident39 Ų3932.2 Ų32.227%0.27318%0.176SC..Iπ-helixtrans-64.7-43.8173-57.50000111C215 K216 I222 I223 E224C215-S220 PolarHBondContact O-N 2.92Å; C215-S220 PolarHBondContact O-OG 3.05Å; K216-S220 VanDerWaalsContact O-CB 3.3Å; K216-S220 WeakPolarHBondContact O-CB 3.21Å; K216-S220 PolarHBondContact O-N 3.27Å; S220-I222 VanDerWaalsContact C-N 3.33Å; S220-I222 PolarHBondContact O-N 3.44Å; S220-I223 PolarHBondContact O-N 3.12Å; S220-I223 VanDerWaalsContact O-N 3.11Å; S220-E224 WeakPolarHBondContact CB-OE1 3.39Å; S220-E224 WeakPolarHBondContact O-CB 3.17Å; S220-E224 VanDerWaalsContact O-CG 3.23Å; S220-E224 WeakPolarHBondContact O-CG 3.44Å; S220-E224 PolarHBondContact O-N 3.49Å
221T83.3Confident78.8Confident30 Ų3032.7 Ų32.718%0.18418%0.184CC..Hα-helixtrans-56.9-41.8174.7-55.60000112.9M175 K216 S217 L218 E224 Q225M175-T221 HydrophobicContact CB-CG2 4.21Å; M175-T221 HydrophobicContact CG-CG2 4.48Å; K216-T221 PolarHBondContact O-N 2.95Å; K216-T221 VanDerWaalsContact O-N 3.1Å; K216-T221 PolarHBondContact O-OG1 2.84Å; S217-T221 PolarHBondContact O-OG1 3.32Å; L218-T221 PolarHBondContact O-N 3.48Å; T221-E224 PolarHBondContact O-N 2.84Å; T221-Q225 HydrophobicContact CG2-CG 4.47Å; T221-Q225 WeakPolarHBondContact O-CB 3.42Å; T221-Q225 VanDerWaalsContact O-CG 3.26Å; T221-Q225 WeakPolarHBondContact O-CG 3.37Å; T221-Q225 PolarHBondContact O-N 3.11Å
222I83.6Confident78.2Confident1 Ų136 Ų361%0.00520%0.201CC..Hα-helixtrans-65.7-40.7175.7-68157.8000111.6M175 I195 L218 F219 S220 Q225 A226 F299 Y301 L304M175-I222 HydrophobicContact CE-CD1 3.79Å; M175-I222 HydrophobicContact CE-CG1 3.51Å; M175-I222 HydrophobicContact SD-CD1 4.36Å; I195-I222 HydrophobicContact CD1-CD1 3.43Å; I195-I222 VanDerWaalsContact CD1-CD1 3.43Å; L218-I222 WeakPolarHBondContact O-CB 3.24Å; L218-I222 VanDerWaalsContact O-CD1 3.27Å; L218-I222 WeakPolarHBondContact O-CD1 3.4Å; L218-I222 WeakPolarHBondContact O-CG1 3.38Å; L218-I222 PolarHBondContact O-N 3.2Å; F219-I222 PolarHBondContact O-N 3.33Å; S220-I222 VanDerWaalsContact C-N 3.33Å; S220-I222 PolarHBondContact O-N 3.44Å; I222-Q225 PolarHBondContact O-N 3.36Å; I222-A226 WeakPolarHBondContact O-CB 3.47Å; I222-A226 PolarHBondContact O-N 3.3Å; I222-F299 HydrophobicContact CD1-CE2 4.49Å; I222-F299 HydrophobicContact CD1-CZ 4.36Å; I222-F299 HydrophobicContact CG1-CD2 4.46Å; I222-F299 HydrophobicContact CG1-CE2 3.98Å; I222-F299 HydrophobicContact CG1-CZ 4.3Å; I222-F299 HydrophobicContact CG2-CD2 3.92Å; I222-F299 HydrophobicContact CG2-CE2 4.28Å; I222-F299 HydrophobicContact CG2-CG 4.36Å; I222-Y301 HydrophobicContact CG2-CD1 4.43Å; I222-Y301 HydrophobicContact CG2-CE1 4.05Å; I222-L304 HydrophobicContact CD1-CD2 4.48Å; I222-L304 HydrophobicContact CG2-CD2 4.39Å
223I80.4Confident77.3Confident42 Ų4237.6 Ų37.622%0.21521%0.207CC..Hα-helixtrans-68.6-39.3177.9-71.7163.9000111.3F219 S220 V328 V331 L332 L335F219-I223 WeakPolarHBondContact O-CB 3.35Å; F219-I223 WeakPolarHBondContact O-CD1 3.35Å; F219-I223 VanDerWaalsContact O-CG1 3.27Å; F219-I223 WeakPolarHBondContact O-CG1 3.5Å; F219-I223 PolarHBondContact O-N 2.8Å; S220-I223 PolarHBondContact O-N 3.12Å; S220-I223 VanDerWaalsContact O-N 3.11Å; I223-V328 HydrophobicContact CD1-CG1 4.46Å; I223-V331 HydrophobicContact CD1-CB 4.19Å; I223-V331 HydrophobicContact CD1-CG1 3.82Å; I223-V331 HydrophobicContact CG1-CG1 4.12Å; I223-V331 HydrophobicContact CG2-CG1 3.81Å; I223-L332 HydrophobicContact CG1-CD2 4.07Å; I223-L335 HydrophobicContact CB-CD1 4.47Å; I223-L335 HydrophobicContact CG1-CD1 4.1Å; I223-L335 HydrophobicContact CG2-CD1 4.3Å
224E80.4Confident76.3Confident111 Ų11143.1 Ų43.152%0.51923%0.232SC..Hα-helixtrans-69.3-33.8176.2-71.4159.6-158.500111.7S220 T221 F228S220-E224 WeakPolarHBondContact CB-OE1 3.39Å; S220-E224 WeakPolarHBondContact O-CB 3.17Å; S220-E224 VanDerWaalsContact O-CG 3.23Å; S220-E224 WeakPolarHBondContact O-CG 3.44Å; S220-E224 PolarHBondContact O-N 3.49Å; T221-E224 PolarHBondContact O-N 2.84Å; E224-F228 WeakPolarHBondContact O-CD2 3.41Å
225Q78.4Confident75.8Confident9 Ų948.9 Ų48.94%0.04226%0.257CS..Hα-helixtrans-82.8-22.1176.6-77.2-175-42.200114T221 I222 F228 A229 V296T221-Q225 HydrophobicContact CG2-CG 4.47Å; T221-Q225 WeakPolarHBondContact O-CB 3.42Å; T221-Q225 VanDerWaalsContact O-CG 3.26Å; T221-Q225 WeakPolarHBondContact O-CG 3.37Å; T221-Q225 PolarHBondContact O-N 3.11Å; I222-Q225 PolarHBondContact O-N 3.36Å; Q225-F228 PolarHBondContact O-N 2.81Å; Q225-F228 VanDerWaalsContact O-N 3.12Å; Q225-A229 PolarHBondContact O-N 2.91Å; Q225-V296 HydrophobicContact CB-CG1 3.74Å; Q225-V296 HydrophobicContact CG-CG1 4.24Å
226A72.5Confident75.2Confident3 Ų353.8 Ų53.83%0.02528%0.279CS..Hα-helixtrans-51.4-47.6-176.600000115.7I222 F228 A229 V230 Y301 L335I222-A226 WeakPolarHBondContact O-CB 3.47Å; I222-A226 PolarHBondContact O-N 3.3Å; A226-F228 VanDerWaalsContact C-N 3.28Å; A226-F228 PolarHBondContact O-N 3.45Å; A226-A229 PolarHBondContact O-N 3.25Å; A226-V230 WeakPolarHBondContact O-CG2 3.39Å; A226-V230 PolarHBondContact O-N 3.13Å; A226-Y301 WeakPolarHBondContact CA-OH 3.48Å; A226-Y301 HydrophobicContact CB-CE1 3.79Å; A226-Y301 WeakPolarHBondContact CB-OH 3.23Å; A226-L335 HydrophobicContact CB-CD1 4.06Å; A226-L335 HydrophobicContact CB-CD2 4.35Å
227P64.5Low74.4Confident79 Ų7950.7 Ų50.751%0.51327%0.271SS..Hα-helixtrans-63.8-32.8179.524.1-33.9000112.8G231P227-G231 PolarHBondContact O-N 3.36Å
228F71Confident74Confident72 Ų7256 Ų5632%0.31629%0.294SS..Hα-helixtrans-72.9-41.9176.5-56.7-83.1000111.3E224 Q225 A226 V230 G231 D232 F293 V296E224-F228 WeakPolarHBondContact O-CD2 3.41Å; Q225-F228 PolarHBondContact O-N 2.81Å; Q225-F228 VanDerWaalsContact O-N 3.12Å; A226-F228 VanDerWaalsContact C-N 3.28Å; A226-F228 PolarHBondContact O-N 3.45Å; F228-V230 VanDerWaalsContact C-N 3.31Å; F228-V230 PolarHBondContact O-N 3.38Å; F228-G231 PolarHBondContact O-N 2.86Å; F228-D232 PolarHBondContact O-N 2.95Å; F228-F293 HydrophobicContact CD2-CD2 4.02Å; F228-F293 HydrophobicContact CD2-CE2 4.07Å; F228-F293 HydrophobicContact CE1-CD2 4.34Å; F228-F293 HydrophobicContact CE1-CE2 4.38Å; F228-F293 AromaticContact CE2-CD2 3.75Å; F228-F293 HydrophobicContact CE2-CD2 3.75Å; F228-F293 AromaticContact CE2-CE2 3.38Å; F228-F293 HydrophobicContact CE2-CE2 3.38Å; F228-F293 HydrophobicContact CE2-CZ 4.2Å; F228-F293 HydrophobicContact CG-CD2 4.44Å; F228-F293 AromaticContact CZ-CD2 3.93Å; F228-F293 HydrophobicContact CZ-CD2 3.93Å; F228-F293 AromaticContact CZ-CE2 3.57Å; F228-F293 HydrophobicContact CZ-CE2 3.57Å; F228-V296 HydrophobicContact CB-CG2 4.05Å
229A66.1Low73.1Confident5 Ų561.5 Ų61.54%0.04132%0.32CS..Hα-helixtrans-59-40.6174.900000112.7Q225 A226 L233 V296Q225-A229 PolarHBondContact O-N 2.91Å; A226-A229 PolarHBondContact O-N 3.25Å; A229-L233 PolarHBondContact O-N 3.09Å; A229-V296 HydrophobicContact CB-CB 4.44Å; A229-V296 HydrophobicContact CB-CG1 3.75Å
230V62.3Low72.3Confident60 Ų6064.3 Ų64.336%0.36434%0.344SS..Hα-helixtrans-72.3-42.2175.7174.50000110.9A226 F228 D232 L233 M234 Y301A226-V230 WeakPolarHBondContact O-CG2 3.39Å; A226-V230 PolarHBondContact O-N 3.13Å; F228-V230 VanDerWaalsContact C-N 3.31Å; F228-V230 PolarHBondContact O-N 3.38Å; V230-D232 PolarHBondContact O-N 2.82Å; V230-L233 PolarHBondContact O-N 3.47Å; V230-M234 HydrophobicContact CG1-CE 3.67Å; V230-M234 HydrophobicContact CG1-CG 4.44Å; V230-M234 HydrophobicContact CG1-SD 4.02Å; V230-M234 WeakPolarHBondContact O-CB 3.27Å; V230-M234 WeakPolarHBondContact O-CG 3.27Å; V230-M234 PolarHBondContact O-N 2.95Å; V230-Y301 HydrophobicContact CG2-CE2 4.49Å
231G63.1Low71Confident23 Ų2368.8 Ų68.824%0.23736%0.36CS..Hα-helixtrans-61.7-40.2177.800000113.4P227 F228 M234 K235P227-G231 PolarHBondContact O-N 3.36Å; F228-G231 PolarHBondContact O-N 2.86Å; G231-M234 PolarHBondContact O-N 3.47Å; G231-K235 VanDerWaalsContact O-CG 3.27Å; G231-K235 WeakPolarHBondContact O-CG 3.45Å; G231-K235 PolarHBondContact O-N 2.91Å
232D73.3Confident69.9Low69 Ų6972.9 Ų72.937%0.36938%0.378SS..Hα-helixtrans-70.7-39.7177.7-70.7-17.3000112F228 V230 M234 K235 E236F228-D232 PolarHBondContact O-N 2.95Å; V230-D232 PolarHBondContact O-N 2.82Å; D232-M234 VanDerWaalsContact C-N 3.33Å; D232-M234 PolarHBondContact O-N 3.17Å; D232-K235 PolarHBondContact O-N 3.49Å; D232-K235 IonicContact OD1-NZ 2.99Å; D232-K235 PolarHBondContact OD1-NZ 2.85Å; D232-E236 WeakPolarHBondContact O-CB 3.45Å; D232-E236 PolarHBondContact O-N 3.01Å
233L67.1Low68.4Low74 Ų7477.8 Ų77.839%0.38741%0.412SS..Hα-helixtrans-62-39.5172.2-178.164.1000111.9A229 V230 E236 V237A229-L233 PolarHBondContact O-N 3.09Å; V230-L233 PolarHBondContact O-N 3.47Å; L233-E236 PolarHBondContact O-N 3.06Å; L233-V237 WeakPolarHBondContact O-CG2 3.41Å; L233-V237 PolarHBondContact O-N 3.22Å
234M65.4Low67Low129 Ų12982.7 Ų82.764%0.63544%0.439SS*.Hα-helixtrans-65.5-38.2175.1-74.7177173.700112.5V230 G231 D232 K238V230-M234 HydrophobicContact CG1-CE 3.67Å; V230-M234 HydrophobicContact CG1-CG 4.44Å; V230-M234 HydrophobicContact CG1-SD 4.02Å; V230-M234 WeakPolarHBondContact O-CB 3.27Å; V230-M234 WeakPolarHBondContact O-CG 3.27Å; V230-M234 PolarHBondContact O-N 2.95Å; G231-M234 PolarHBondContact O-N 3.47Å; D232-M234 VanDerWaalsContact C-N 3.33Å; D232-M234 PolarHBondContact O-N 3.17Å; M234-K238 VanDerWaalsContact O-CB 3.32Å; M234-K238 WeakPolarHBondContact O-CB 3.09Å; M234-K238 PolarHBondContact O-N 3.35Å
235K74.6Confident65.5Low121 Ų12182.1 Ų82.153%0.52645%0.447SS..Hα-helixtrans-65.2-43.7173.3-67164-155.7163.60111.4G231 D232 K238 M239G231-K235 VanDerWaalsContact O-CG 3.27Å; G231-K235 WeakPolarHBondContact O-CG 3.45Å; G231-K235 PolarHBondContact O-N 2.91Å; D232-K235 PolarHBondContact O-N 3.49Å; D232-K235 IonicContact OD1-NZ 2.99Å; D232-K235 PolarHBondContact OD1-NZ 2.85Å; K235-K238 PolarHBondContact O-N 3.27Å; K235-M239 HydrophobicContact CB-CE 4.49Å; K235-M239 WeakPolarHBondContact O-CG 3.49Å; K235-M239 PolarHBondContact O-N 2.93Å
236E73.3Confident64Low117 Ų11784.8 Ų84.855%0.54748%0.476SS..Hα-helixtrans-61.7-48.8179.4-175.2175.1-161.600111.5D232 L233 K238 M239 A240D232-E236 WeakPolarHBondContact O-CB 3.45Å; D232-E236 PolarHBondContact O-N 3.01Å; L233-E236 PolarHBondContact O-N 3.06Å; E236-K238 VanDerWaalsContact C-N 3.34Å; E236-K238 PolarHBondContact O-N 3.13Å; E236-M239 PolarHBondContact O-N 3.04Å; E236-A240 WeakPolarHBondContact O-CB 3.33Å; E236-A240 PolarHBondContact O-N 2.8Å
237V69.1Low62.6Low74 Ų7493.6 Ų93.645%0.44852%0.517SS..Hα-helixtrans-60.4-42.6175.3171.80000111.4L233 A240 Q241L233-V237 WeakPolarHBondContact O-CG2 3.41Å; L233-V237 PolarHBondContact O-N 3.22Å; V237-A240 PolarHBondContact O-N 2.84Å; V237-Q241 WeakPolarHBondContact O-CG 3.5Å; V237-Q241 PolarHBondContact O-N 2.66Å
238K73.6Confident61.2Low118 Ų11899.4 Ų99.451%0.51354%0.538SS..Hα-helixtrans-64.1-46.6178.3-179.2171.1171.5175.80112.3M234 K235 E236 A240 Q241 E242M234-K238 VanDerWaalsContact O-CB 3.32Å; M234-K238 WeakPolarHBondContact O-CB 3.09Å; M234-K238 PolarHBondContact O-N 3.35Å; K235-K238 PolarHBondContact O-N 3.27Å; E236-K238 VanDerWaalsContact C-N 3.34Å; E236-K238 PolarHBondContact O-N 3.13Å; K238-A240 VanDerWaalsContact C-N 3.27Å; K238-A240 PolarHBondContact O-N 2.89Å; K238-Q241 PolarHBondContact O-N 3.36Å; K238-Q241 VanDerWaalsContact O-N 3.16Å; K238-E242 VanDerWaalsContact CE-CD 3.5Å; K238-E242 WeakPolarHBondContact CE-OE1 3.46Å; K238-E242 HydrophobicContact CG-CG 4.43Å; K238-E242 IonicContact NZ-OE1 2.68Å; K238-E242 WeakPolarHBondContact O-CG 3.32Å; K238-E242 PolarHBondContact O-N 3.06Å
239M65.8Low59.8Low114 Ų114101.4 Ų101.456%0.56256%0.56SS**Hα-helixtrans-63.9-32.6176.8-71.6-174.8-64.700112.4K235 E236 S243K235-M239 HydrophobicContact CB-CE 4.49Å; K235-M239 WeakPolarHBondContact O-CG 3.49Å; K235-M239 PolarHBondContact O-N 2.93Å; E236-M239 PolarHBondContact O-N 3.04Å; M239-S243 WeakPolarHBondContact O-CB 3.36Å; M239-S243 PolarHBondContact O-N 3.42Å; M239-S243 PolarHBondContact O-OG 3.43Å
240A66.1Low58.4Low61 Ų61109.5 Ų109.550%0.50460%0.597SS.*Hα-helixtrans-66.5-41.4172.900000112.1E236 V237 K238 S243 D244E236-A240 WeakPolarHBondContact O-CB 3.33Å; E236-A240 PolarHBondContact O-N 2.8Å; V237-A240 PolarHBondContact O-N 2.84Å; K238-A240 VanDerWaalsContact C-N 3.27Å; K238-A240 PolarHBondContact O-N 2.89Å; A240-S243 PolarHBondContact O-N 2.84Å; A240-D244 PolarHBondContact O-N 3.02Å
241Q57.4Low57Low132 Ų132115.5 Ų115.562%0.61762%0.622SS**Hα-helixtrans-67.6-41.8176.5-71.3176.1-43.400112.5V237 K238 S243 D244 S245V237-Q241 WeakPolarHBondContact O-CG 3.5Å; V237-Q241 PolarHBondContact O-N 2.66Å; K238-Q241 PolarHBondContact O-N 3.36Å; K238-Q241 VanDerWaalsContact O-N 3.16Å; Q241-S243 PolarHBondContact O-N 3.17Å; Q241-D244 PolarHBondContact O-N 2.9Å; Q241-D244 VanDerWaalsContact O-N 3.16Å; Q241-S245 PolarHBondContact O-N 2.83Å
242E60.2Low55.6Low117 Ų117121.7 Ų121.755%0.54765%0.649SS.*Hα-helixtrans-67.2-14.2174.9-69.4173.7159.900113.1K238K238-E242 VanDerWaalsContact CE-CD 3.5Å; K238-E242 WeakPolarHBondContact CE-OE1 3.46Å; K238-E242 HydrophobicContact CG-CG 4.43Å; K238-E242 IonicContact NZ-OE1 2.68Å; K238-E242 WeakPolarHBondContact O-CG 3.32Å; K238-E242 PolarHBondContact O-N 3.06Å
243S52.5Low53.7Low103 Ų103125.3 Ų125.372%0.7267%0.669SS**THydrogen-bonded Turntrans-92.9-10.9174.6-57.60000114.1M239 A240 Q241M239-S243 WeakPolarHBondContact O-CB 3.36Å; M239-S243 PolarHBondContact O-N 3.42Å; M239-S243 PolarHBondContact O-OG 3.43Å; A240-S243 PolarHBondContact O-N 2.84Å; Q241-S243 PolarHBondContact O-N 3.17Å
244D49.8Very low52Low146 Ų146128.8 Ų128.878%0.78168%0.683SS**THydrogen-bonded Turntrans-103.6-17.3-176.4-159.444.1000112.3A240 Q241 G246A240-D244 PolarHBondContact O-N 3.02Å; Q241-D244 PolarHBondContact O-N 2.9Å; Q241-D244 VanDerWaalsContact O-N 3.16Å; D244-G246 PolarHBondContact O-N 3.37Å
245S50.2Low50.5Low99 Ų99130 Ų13069%0.69269%0.687SS**  trans-77.546.8174.664.50000113.3Q241 Q247Q241-S245 PolarHBondContact O-N 2.83Å; S245-Q247 PolarHBondContact O-N 2.96Å
246G47Very low48.6Very low64 Ų64132.9 Ų132.966%0.6670%0.702SS**  trans-89.178.7-173.700000114.7D244D244-G246 PolarHBondContact O-N 3.37Å
247Q42.9Very low46.6Very low188 Ų188137 Ų13788%0.87972%0.721SS**  trans61.6116.3166.5-58.1178.6-99.400118.5S245S245-Q247 PolarHBondContact O-N 2.96Å
248E35Very low44.7Very low202 Ų202139.9 Ų139.994%0.94473%0.734SS**  trans-153.797.1137.3-157.4166.4-121.600109.1
249S41.9Very low42.7Very low114 Ų114140.3 Ų140.380%0.79774%0.738SS**  trans-16461.8179.7680000113.9
250E36.5Very low41.1Very low175 Ų175144 Ų14482%0.81875%0.746SS**  trans-137.4116164.6-69.7-175.4165.200109.8
251E32.7Very low39.4Very low186 Ų186152.8 Ų152.887%0.86977%0.766SS**  trans58.7130.9146-57.4174.8-174.500121
252D32.8Very low38Very low153 Ų153152.8 Ų152.882%0.81878%0.781SS**  cis-137.7-100.1-9.5-165.851.3000115.3
253D33.3Very low36.5Very low145 Ų145151.3 Ų151.378%0.77579%0.788SS**  cis-158.6175.310.1-174.414.2000110.2
254E32.5Very low35.3Very low147 Ų147153.5 Ų153.569%0.68780%0.797SS**  trans-72.5166.1-173-62.5-171169.200115.2
255Q32.6Very low34.1Very low154 Ų154149.7 Ų149.772%0.7279%0.792SS**  cis-173.4152.545.3-151.2155.475.800114.7
256E34.8Very low32.9Very low182 Ų182150.4 Ų150.485%0.8580%0.797SS**  trans42.3127.3158.6-73.7-175.8178.900125
257E31.4Very low31.9Very low203 Ų203157.5 Ų157.595%0.94980%0.804SS**  -158.9169.4105.4-123.9-176.9-16000113.5
258D29.9Very low31.3Very low135 Ų135155.1 Ų155.172%0.72280%0.797SS**  trans-95.3153.8-151.2-173.223.6000117.5
259E31.2Very low30.9Very low127 Ų127155 Ų15559%0.59379%0.793SS**  166.7126.5119.8-83.2-121.3123.600117.2
260R32.7Very low30Very low190 Ų190153.8 Ų153.872%0.71779%0.79SS**  trans63.396.2142.8-60.6-176.1-161.9-94.7-23.7123.2
261R29.8Very low29.4Very low247 Ų247148.9 Ų148.993%0.93279%0.786SS**  26121.5117.4-57.5179.4-178.5-148.50120.3
262S27.9Very low29.2Very low132 Ų132149.5 Ų149.592%0.92379%0.789SS**  -168.5173.2110.7-160.20000110.9
263A28.8Very low28.9Very low86 Ų86151.3 Ų151.371%0.71179%0.793SS**  trans-131.1172.3-16600000115.4
264V27.4Very low28.4Very low148 Ų148148.9 Ų148.990%0.89779%0.787SS**  trans83.9111.9165.7-171.70000117.7
265G25.7Very low28.1Very low66 Ų66147.9 Ų147.968%0.6879%0.787SS**  129.482.9115.300000120.8
266S25.1Very low27.9Very low114 Ų114148.5 Ų148.580%0.79779%0.789SS**  trans56.1124.3141.4-153.10000118.3
267R25Very low27.8Very low214 Ų214148 Ų14881%0.80879%0.787SS**  168.6164.264.6-159.1179-172.1172.13.2109.5
268L29.8Very low27.8Very low138 Ų138145.2 Ų145.272%0.72378%0.778SS**  trans73.6107.2171.5-49.8178.3000112.5
269K26.3Very low27.8Very low198 Ų198145.7 Ų145.786%0.86178%0.779SS**  76.2138.878.2-88-160.7168.3-159.90112.9
270A24.2Very low27.7Very low89 Ų89146.5 Ų146.574%0.73678%0.783SS**  cis-176.2147.7-20.400000108
271G24.1Very low28.1Very low72 Ų72145.7 Ų145.774%0.74279%0.792SS**  trans84.7157175.300000113.9
272E28.3Very low28.4Very low199 Ų199142.9 Ų142.993%0.9379%0.79SS**  cis-134.8151.1-1.9-66-175.9127.400110.4
273E25.5Very low28.8Very low192 Ų192144.6 Ų144.690%0.89779%0.789SS**  trans-97.2167.9171.2-73.4179.4130.500109.9
274S23.7Very low29.5Very low93 Ų93145.4 Ų145.465%0.6580%0.795SS**  trans74.3129.4170-77.50000119.2
275D25.9Very low29.9Very low127 Ų127145.7 Ų145.768%0.67979%0.792SS**  39.4136.993.2-26.5-45.1000115.8
276E28Very low30.6Very low166 Ų166148.3 Ų148.378%0.77680%0.8SS**  -149.3179.452.3-84-72-163.900114.5
277E32.2Very low31.8Very low172 Ų172152.1 Ų152.180%0.80481%0.805SS**  trans-56.8174.9172.6-52.3-176.6119.400115.8
278L32.2Very low32.6Very low144 Ų144149.4 Ų149.475%0.75481%0.806SS**  trans92.486.4140.1-166.2119.4000120.5
279L29.8Very low33Very low145 Ų145148.2 Ų148.276%0.75981%0.809SS**  trans-159.3150.1132.3-59.9-176.8000107.1
280Q30.1Very low33.9Very low144 Ų144146.1 Ų146.167%0.67381%0.807SS**  cis-154.3137.2-28.6-125.7130.733.300105.4E282Q280-E282 PolarHBondContact O-N 3.42Å
281L40.3Very low34.8Very low173 Ų173144.3 Ų144.391%0.90679%0.792SS**  49.647.682-78.4176.8000116.9
282E35.2Very low36Very low189 Ų189148.5 Ų148.588%0.88380%0.797SS**  trans-147.584.2160.4-147.3166.6-115.700113.1Q280Q280-E282 PolarHBondContact O-N 3.42Å
283D37.4Very low37.2Very low168 Ų168143.1 Ų143.190%0.89877%0.771SS**  trans-156.542.3170.2-133.3-14.4000111.9
284A43.2Very low38.9Very low103 Ų103135.6 Ų135.685%0.85175%0.745SS**  trans-130.829.6-167.200000114.6
285D36.3Very low41.1Very low154 Ų154134.4 Ų134.482%0.82474%0.735SS**  trans-145.563168.3-1586.6000112.6
286S40.9Very low43.6Very low121 Ų121129.1 Ų129.185%0.84671%0.707SS**  trans-14026.8165-79.80000113.4L288S286-L288 PolarHBondContact O-N 2.91Å
287E49Very low46.1Very low194 Ų194121.3 Ų121.391%0.90767%0.671SS**  trans-73.669.1165.5-73.6-162.5160.700111.6
288L41.9Very low48.4Very low157 Ų157116.4 Ų116.482%0.82265%0.648SS**SBendtrans-128.995.9167.1-84.6178.9000112.8S286S286-L288 PolarHBondContact O-N 2.91Å
289S37.9Very low50.7Low112 Ų112110.2 Ų110.278%0.78362%0.615SS**  trans68.356.2170.2610000117.1A291S289-A291 VanDerWaalsContact C-N 3.3Å; S289-A291 PolarHBondContact O-N 3.01Å; S289-A291 VanDerWaalsContact O-N 3.08Å
290D44.7Very low53.2Low154 Ų154106.4 Ų106.482%0.82460%0.595SS**  -53.5107.2126.9-102.2-19000107.5D292D290-D292 PolarHBondContact O-N 2.93Å
291A43.1Very low55.8Low51 Ų51100.6 Ų100.642%0.42157%0.567SS.*  trans-75.8120.8171.600000107.7S289 F293S289-A291 VanDerWaalsContact C-N 3.3Å; S289-A291 PolarHBondContact O-N 3.01Å; S289-A291 VanDerWaalsContact O-N 3.08Å; A291-F293 HydrophobicContact CB-CD2 4.03Å; A291-F293 HydrophobicContact CB-CE2 3.7Å; A291-F293 HydrophobicContact CB-CZ 4.05Å; A291-F293 WeakPolarHBondContact O-CD2 2.75Å; A291-F293 PolarHBondContact O-N 3.1Å
292D51Low57.9Low160 Ų16094.1 Ų94.186%0.85654%0.539SS*.  trans-64.381.7171.4177.519.6000109.8D290 G294D290-D292 PolarHBondContact O-N 2.93Å; D292-G294 PolarHBondContact O-N 3.38Å; D292-G294 PolarHBondContact OD1-N 3.33Å
293F52.2Low60.4Low87 Ų8786.6 Ų86.638%0.38251%0.509SS..  trans-69.8-8.2176.2-77-72.6000112.2F228 A291F228-F293 HydrophobicContact CD2-CD2 4.02Å; F228-F293 HydrophobicContact CD2-CE2 4.07Å; F228-F293 HydrophobicContact CE1-CD2 4.34Å; F228-F293 HydrophobicContact CE1-CE2 4.38Å; F228-F293 AromaticContact CE2-CD2 3.75Å; F228-F293 HydrophobicContact CE2-CD2 3.75Å; F228-F293 AromaticContact CE2-CE2 3.38Å; F228-F293 HydrophobicContact CE2-CE2 3.38Å; F228-F293 HydrophobicContact CE2-CZ 4.2Å; F228-F293 HydrophobicContact CG-CD2 4.44Å; F228-F293 AromaticContact CZ-CD2 3.93Å; F228-F293 HydrophobicContact CZ-CD2 3.93Å; F228-F293 AromaticContact CZ-CE2 3.57Å; F228-F293 HydrophobicContact CZ-CE2 3.57Å; A291-F293 HydrophobicContact CB-CD2 4.03Å; A291-F293 HydrophobicContact CB-CE2 3.7Å; A291-F293 HydrophobicContact CB-CZ 4.05Å; A291-F293 WeakPolarHBondContact O-CD2 2.75Å; A291-F293 PolarHBondContact O-N 3.1Å
294G61.7Low62.7Low34 Ų3478.8 Ų78.835%0.35147%0.467SS..  trans68.5-169.9-168.100000112.6D292 V296D292-G294 PolarHBondContact O-N 3.38Å; D292-G294 PolarHBondContact OD1-N 3.33Å; G294-V296 WeakPolarHBondContact O-CG2 3.08Å
295P71.2Confident64.8Low67 Ų6773.9 Ų73.944%0.43543%0.427SS..SBendtrans-64.2143.2177.830-36.9000110.8A179 A183A179-P295 VanDerWaalsContact CB-O 3.31Å; A179-P295 WeakPolarHBondContact CB-O 3.44Å; A183-P295 HydrophobicContact CB-CB 3.81Å
296V78.3Confident67.3Low16 Ų1670.6 Ų70.610%0.09741%0.409CS..  trans-110.2141.3-167.2-163.60000111.8A183 Q225 F228 A229 G294A183-V296 WeakPolarHBondContact CB-O 3.43Å; Q225-V296 HydrophobicContact CB-CG1 3.74Å; Q225-V296 HydrophobicContact CG-CG1 4.24Å; F228-V296 HydrophobicContact CB-CG2 4.05Å; A229-V296 HydrophobicContact CB-CB 4.44Å; A229-V296 HydrophobicContact CB-CG1 3.75Å; G294-V296 WeakPolarHBondContact O-CG2 3.08Å
297L80.2Confident69.4Low2 Ų269.5 Ų69.51%0.0139%0.389CS..  trans-87.1128.3176-71.4164.5000111.1M175 L178 A179 L186 F299M175-L297 HydrophobicContact CE-CD1 4.11Å; L178-L297 HydrophobicContact CB-CD1 4.09Å; L178-L297 HydrophobicContact CD2-CD1 3.89Å; L178-L297 HydrophobicContact CG-CD1 3.87Å; L178-L297 HydrophobicContact CG-CD2 4.35Å; A179-L297 HydrophobicContact CB-CD1 3.81Å; A179-L297 HydrophobicContact CB-CD2 4.44Å; A179-L297 HydrophobicContact CB-CG 3.66Å; L186-L297 HydrophobicContact CD1-CD2 4.16Å; L297-F299 HydrophobicContact CB-CD2 4.33Å; L297-F299 HydrophobicContact CB-CE2 3.55Å; L297-F299 HydrophobicContact CB-CZ 4.02Å; L297-F299 HydrophobicContact CD1-CE2 4.48Å; L297-F299 HydrophobicContact CD1-CZ 4.31Å; L297-F299 WeakPolarHBondContact O-CD2 3.48Å
298Q79.4Confident71.2Confident70 Ų7060.3 Ų60.333%0.32735%0.346SS..  trans-79144.4170.7-62.3178.46.900111.2N191N191-Q298 PolarHBondContact ND2-O 3.43Å
299F81.6Confident73.4Confident14 Ų1457.6 Ų57.66%0.06133%0.328CS..  trans-139.7145.4-179.5-73.1-81000111.4M175 N191 L192 I195 I222 L297 Y301M175-F299 HydrophobicContact CE-CE2 4Å; M175-F299 HydrophobicContact CE-CZ 3.68Å; N191-F299 HydrophobicContact CB-CD1 3.83Å; N191-F299 HydrophobicContact CB-CE1 3.36Å; N191-F299 HydrophobicContact CB-CZ 3.88Å; L192-F299 HydrophobicContact CD2-CD1 4.18Å; I195-F299 HydrophobicContact CD1-CD1 4.17Å; I195-F299 HydrophobicContact CD1-CE1 3.25Å; I195-F299 HydrophobicContact CD1-CZ 3.63Å; I195-F299 HydrophobicContact CG1-CE1 4.27Å; I222-F299 HydrophobicContact CD1-CE2 4.49Å; I222-F299 HydrophobicContact CD1-CZ 4.36Å; I222-F299 HydrophobicContact CG1-CD2 4.46Å; I222-F299 HydrophobicContact CG1-CE2 3.98Å; I222-F299 HydrophobicContact CG1-CZ 4.3Å; I222-F299 HydrophobicContact CG2-CD2 3.92Å; I222-F299 HydrophobicContact CG2-CE2 4.28Å; I222-F299 HydrophobicContact CG2-CG 4.36Å; L297-F299 HydrophobicContact CB-CD2 4.33Å; L297-F299 HydrophobicContact CB-CE2 3.55Å; L297-F299 HydrophobicContact CB-CZ 4.02Å; L297-F299 HydrophobicContact CD1-CE2 4.48Å; L297-F299 HydrophobicContact CD1-CZ 4.31Å; L297-F299 WeakPolarHBondContact O-CD2 3.48Å; F299-Y301 HydrophobicContact CB-CD1 4.13Å; F299-Y301 HydrophobicContact CB-CE1 3.85Å; F299-Y301 WeakPolarHBondContact O-CE2 3.32Å; F299-Y301 PolarHBondContact O-N 2.93Å
300D82.4Confident75.9Confident64 Ų6455.8 Ų55.834%0.34231%0.307SS..  trans-79.5101.5158.5178.3-9.8000107.7A188 L192 A302 A303 L304A188-D300 HydrophobicContact CB-CB 4.44Å; L192-D300 HydrophobicContact CD1-CB 4.46Å; D300-A302 VanDerWaalsContact C-N 3.28Å; D300-A302 PolarHBondContact O-N 3.49Å; D300-A302 WeakPolarHBondContact OD1-CA 3.48Å; D300-A302 WeakPolarHBondContact OD1-CB 3.38Å; D300-A302 PolarHBondContact OD1-N 3.24Å; D300-A303 HydrophobicContact CB-CB 4.04Å; D300-A303 VanDerWaalsContact CG-CB 3.45Å; D300-A303 PolarHBondContact OD1-N 3.45Å; D300-A303 WeakPolarHBondContact OD2-CB 3.46Å; D300-L304 VanDerWaalsContact O-CB 3.31Å; D300-L304 WeakPolarHBondContact O-CB 3.34Å; D300-L304 PolarHBondContact O-N 3Å
301Y84.3Confident77.9Confident23 Ų2349 Ų499%0.0927%0.27CS..Hα-helixtrans-67.3-28.1179.5-51.5-72.7000112.4I222 A226 V230 F299 A305 L332I222-Y301 HydrophobicContact CG2-CD1 4.43Å; I222-Y301 HydrophobicContact CG2-CE1 4.05Å; A226-Y301 WeakPolarHBondContact CA-OH 3.48Å; A226-Y301 HydrophobicContact CB-CE1 3.79Å; A226-Y301 WeakPolarHBondContact CB-OH 3.23Å; V230-Y301 HydrophobicContact CG2-CE2 4.49Å; F299-Y301 HydrophobicContact CB-CD1 4.13Å; F299-Y301 HydrophobicContact CB-CE1 3.85Å; F299-Y301 WeakPolarHBondContact O-CE2 3.32Å; F299-Y301 PolarHBondContact O-N 2.93Å; Y301-A305 WeakPolarHBondContact O-CB 3.21Å; Y301-A305 PolarHBondContact O-N 3.05Å; Y301-L332 WeakPolarHBondContact CB-O 3.42Å; Y301-L332 HydrophobicContact CD1-CD2 3.95Å
302A85.2Confident79.9Confident37 Ų3746.5 Ų46.531%0.30625%0.25SS..Hα-helixtrans-73.9-49.5177.500000111D300 L304 A305 D306D300-A302 VanDerWaalsContact C-N 3.28Å; D300-A302 PolarHBondContact O-N 3.49Å; D300-A302 WeakPolarHBondContact OD1-CA 3.48Å; D300-A302 WeakPolarHBondContact OD1-CB 3.38Å; D300-A302 PolarHBondContact OD1-N 3.24Å; A302-L304 VanDerWaalsContact C-N 3.29Å; A302-L304 PolarHBondContact O-N 3.39Å; A302-A305 PolarHBondContact O-N 3.39Å; A302-D306 PolarHBondContact O-N 2.91Å
303A87Confident81.6Confident31 Ų3141.6 Ų41.626%0.25623%0.228SC..Hα-helixtrans-63.1-34.6173.900000112.2L192 D300 K307L192-A303 HydrophobicContact CD1-CB 3.69Å; D300-A303 HydrophobicContact CB-CB 4.04Å; D300-A303 VanDerWaalsContact CG-CB 3.45Å; D300-A303 PolarHBondContact OD1-N 3.45Å; D300-A303 WeakPolarHBondContact OD2-CB 3.46Å; A303-K307 VanDerWaalsContact O-CB 3.29Å; A303-K307 WeakPolarHBondContact O-CB 3.07Å; A303-K307 WeakPolarHBondContact O-CG 3.5Å; A303-K307 PolarHBondContact O-N 3.43Å
304L85.8Confident83.2Confident4 Ų443.2 Ų43.22%0.02123%0.232CC..Hα-helixtrans-64.5-46.3171.6-174.458000111.9L192 I222 D300 A302 K307 L308 L332L192-L304 HydrophobicContact CD2-CB 3.67Å; L192-L304 HydrophobicContact CD2-CD1 3.92Å; L192-L304 HydrophobicContact CD2-CG 4.26Å; I222-L304 HydrophobicContact CD1-CD2 4.48Å; I222-L304 HydrophobicContact CG2-CD2 4.39Å; D300-L304 VanDerWaalsContact O-CB 3.31Å; D300-L304 WeakPolarHBondContact O-CB 3.34Å; D300-L304 PolarHBondContact O-N 3Å; A302-L304 VanDerWaalsContact C-N 3.29Å; A302-L304 PolarHBondContact O-N 3.39Å; L304-K307 PolarHBondContact O-N 2.92Å; L304-L308 HydrophobicContact CD1-CD1 4.29Å; L304-L308 HydrophobicContact CD1-CG 4.43Å; L304-L308 HydrophobicContact CG-CD1 4.13Å; L304-L308 WeakPolarHBondContact O-CB 3.28Å; L304-L308 VanDerWaalsContact O-CG 3.28Å; L304-L308 WeakPolarHBondContact O-CG 3.37Å; L304-L308 PolarHBondContact O-N 3.34Å; L304-L332 HydrophobicContact CD2-CD1 3.92Å; L304-L332 HydrophobicContact CD2-CD2 4.08Å; L304-L332 HydrophobicContact CG-CD1 3.91Å
305A86.3Confident83.7Confident0 Ų047.6 Ų47.60%026%0.257CS..Hα-helixtrans-60.2-46.5177.700000111.5Y301 A302 L308 F309 I329 L332Y301-A305 WeakPolarHBondContact O-CB 3.21Å; Y301-A305 PolarHBondContact O-N 3.05Å; A302-A305 PolarHBondContact O-N 3.39Å; A305-L308 PolarHBondContact O-N 2.98Å; A305-F309 WeakPolarHBondContact O-CB 3.48Å; A305-F309 PolarHBondContact O-N 3.37Å; A305-I329 HydrophobicContact CB-CG2 4.25Å; A305-L332 HydrophobicContact CB-CB 3.94Å
306D88.9Confident84.1Confident84 Ų8450.2 Ų50.245%0.44927%0.268SS..Hα-helixtrans-70-37.9-179.7-804.5000112A302 L308 F309 E310 R333A302-D306 PolarHBondContact O-N 2.91Å; D306-L308 VanDerWaalsContact C-N 3.34Å; D306-L308 PolarHBondContact O-N 2.92Å; D306-F309 PolarHBondContact O-N 3.18Å; D306-E310 VanDerWaalsContact O-CB 3.3Å; D306-E310 WeakPolarHBondContact O-CB 3.42Å; D306-E310 PolarHBondContact O-N 3.16Å; D306-R333 IonicContact OD1-NH2 3.19Å; D306-R333 PolarHBondContact OD1-NH2 3.28Å
307K86Confident84.2Confident99 Ų9950 Ų5043%0.4327%0.266SS..Hα-helixtrans-64.3-37.7171.4-74.6-72.4151.3-161.50112.4A303 L304 E310 L311A303-K307 VanDerWaalsContact O-CB 3.29Å; A303-K307 WeakPolarHBondContact O-CB 3.07Å; A303-K307 WeakPolarHBondContact O-CG 3.5Å; A303-K307 PolarHBondContact O-N 3.43Å; L304-K307 PolarHBondContact O-N 2.92Å; K307-E310 IonicContact NZ-OE2 2.72Å; K307-E310 PolarHBondContact NZ-OE2 3Å; K307-L311 VanDerWaalsContact O-CG 3.29Å; K307-L311 WeakPolarHBondContact O-CG 3.5Å; K307-L311 PolarHBondContact O-N 3.38Å
308L86.8Confident84.3Confident1 Ų151.8 Ų51.81%0.00528%0.278CS..Hα-helixtrans-67.2-38.5172.9-75.2171.4000111.6C199 F219 L304 A305 D306 L311 A312 L325 V328 I329 L332C199-L308 HydrophobicContact CB-CD2 3.91Å; C199-L308 VanDerWaalsContact SG-CD2 3.56Å; F219-L308 HydrophobicContact CD1-CD1 4.36Å; F219-L308 HydrophobicContact CE1-CD1 4.09Å; F219-L308 HydrophobicContact CE1-CD2 4.08Å; F219-L308 HydrophobicContact CE2-CD2 4.23Å; F219-L308 HydrophobicContact CZ-CD1 4.33Å; F219-L308 HydrophobicContact CZ-CD2 3.65Å; L304-L308 HydrophobicContact CD1-CD1 4.29Å; L304-L308 HydrophobicContact CD1-CG 4.43Å; L304-L308 HydrophobicContact CG-CD1 4.13Å; L304-L308 WeakPolarHBondContact O-CB 3.28Å; L304-L308 VanDerWaalsContact O-CG 3.28Å; L304-L308 WeakPolarHBondContact O-CG 3.37Å; L304-L308 PolarHBondContact O-N 3.34Å; A305-L308 PolarHBondContact O-N 2.98Å; D306-L308 VanDerWaalsContact C-N 3.34Å; D306-L308 PolarHBondContact O-N 2.92Å; L308-L311 PolarHBondContact O-N 3.45Å; L308-A312 WeakPolarHBondContact O-CB 3.45Å; L308-A312 PolarHBondContact O-N 3.15Å; L308-L325 HydrophobicContact CD2-CD2 4.33Å; L308-V328 HydrophobicContact CD1-CG1 4.15Å; L308-I329 HydrophobicContact CB-CD1 3.83Å; L308-I329 HydrophobicContact CB-CG1 3.59Å; L308-L332 HydrophobicContact CD1-CD1 3.63Å
309F87.4Confident84.5Confident100 Ų10050.6 Ų50.644%0.43929%0.285SS..Hα-helixtrans-66.5-44.4176-174.3-97.1000112.2A305 D306 L311 A312 S313 Y326 I329A305-F309 WeakPolarHBondContact O-CB 3.48Å; A305-F309 PolarHBondContact O-N 3.37Å; D306-F309 PolarHBondContact O-N 3.18Å; F309-L311 PolarHBondContact O-N 2.94Å; F309-A312 PolarHBondContact O-N 2.88Å; F309-S313 VanDerWaalsContact O-CB 3.24Å; F309-S313 WeakPolarHBondContact O-CB 3.42Å; F309-S313 PolarHBondContact O-N 3.16Å; F309-S313 PolarHBondContact O-OG 2.72Å; F309-Y326 HydrophobicContact CD2-CD1 4.29Å; F309-Y326 AromaticContact CD2-CE1 3.8Å; F309-Y326 HydrophobicContact CD2-CE1 3.8Å; F309-Y326 AromaticContact CE2-CE1 3.89Å; F309-Y326 HydrophobicContact CE2-CE1 3.89Å; F309-I329 HydrophobicContact CB-CD1 4.09Å; F309-I329 HydrophobicContact CB-CG2 4.45Å
310E90.6Very high84.5Confident73 Ų7355 Ų5534%0.34131%0.305SS..Hα-helixtrans-59.6-25174.6-162.3-134.7111.100112.6D306 K307 R314D306-E310 VanDerWaalsContact O-CB 3.3Å; D306-E310 WeakPolarHBondContact O-CB 3.42Å; D306-E310 PolarHBondContact O-N 3.16Å; K307-E310 IonicContact NZ-OE2 2.72Å; K307-E310 PolarHBondContact NZ-OE2 3Å; E310-R314 WeakPolarHBondContact O-CD 3.31Å; E310-R314 WeakPolarHBondContact O-CG 3.37Å; E310-R314 PolarHBondContact O-NE 2.99Å; E310-R314 IonicContact OE1-CZ 2.74Å; E310-R314 IonicContact OE1-NH2 3.23Å; E310-R314 PolarHBondContact OE1-NH2 2.96Å
311L86.4Confident84.6Confident11 Ų1152 Ų526%0.05829%0.289CS..Hα-helixtrans-93.1-37.6174.7-67.9171.2000113C199 R200 A203 K307 L308 F309 T317C199-L311 HydrophobicContact CB-CD1 3.72Å; R200-L311 HydrophobicContact CG-CD1 3.91Å; R200-L311 HydrophobicContact CG-CD2 3.94Å; A203-L311 HydrophobicContact CB-CB 4.13Å; K307-L311 VanDerWaalsContact O-CG 3.29Å; K307-L311 WeakPolarHBondContact O-CG 3.5Å; K307-L311 PolarHBondContact O-N 3.38Å; L308-L311 PolarHBondContact O-N 3.45Å; F309-L311 PolarHBondContact O-N 2.94Å; L311-T317 PolarHBondContact O-OG1 2.79Å
312A86Confident84.7Confident0 Ų056 Ų560%030%0.304CS..Hα-helixtrans-75.1-32.8-177.500000113.6L308 F309 R314 R322 L325 Y326 I329L308-A312 WeakPolarHBondContact O-CB 3.45Å; L308-A312 PolarHBondContact O-N 3.15Å; F309-A312 PolarHBondContact O-N 2.88Å; A312-R314 VanDerWaalsContact C-N 3.27Å; A312-R314 PolarHBondContact O-N 3.28Å; A312-R322 WeakPolarHBondContact O-CD 3.49Å; A312-L325 HydrophobicContact CB-CB 3.98Å; A312-L325 HydrophobicContact CB-CD1 3.9Å; A312-Y326 HydrophobicContact CB-CD1 4.32Å; A312-Y326 HydrophobicContact CB-CE1 3.93Å; A312-I329 HydrophobicContact CB-CD1 4.26Å
313S86.1Confident84.8Confident56 Ų5660.8 Ų60.839%0.39232%0.32SS..SBendtrans-67.2-23.517854.60000113.7F309F309-S313 VanDerWaalsContact O-CB 3.24Å; F309-S313 WeakPolarHBondContact O-CB 3.42Å; F309-S313 PolarHBondContact O-N 3.16Å; F309-S313 PolarHBondContact O-OG 2.72Å
314R85.6Confident84.7Confident121 Ų12162.7 Ų62.746%0.45732%0.322SS..SBendtrans-62.9133.9-178.9-62173.3-177.4-131.39.8111.2E310 A312 N316 T317E310-R314 WeakPolarHBondContact O-CD 3.31Å; E310-R314 WeakPolarHBondContact O-CG 3.37Å; E310-R314 PolarHBondContact O-NE 2.99Å; E310-R314 IonicContact OE1-CZ 2.74Å; E310-R314 IonicContact OE1-NH2 3.23Å; E310-R314 PolarHBondContact OE1-NH2 2.96Å; A312-R314 VanDerWaalsContact C-N 3.27Å; A312-R314 PolarHBondContact O-N 3.28Å; R314-N316 PolarHBondContact O-N 2.96Å; R314-T317 VanDerWaalsContact O-CB 3.32Å; R314-T317 WeakPolarHBondContact O-CB 3.42Å; R314-T317 PolarHBondContact O-N 3.45Å; R314-T317 PolarHBondContact O-OG1 3.33Å
315S71.8Confident84.7Confident127 Ų12762.5 Ų62.589%0.88832%0.322SS*.THydrogen-bonded Turntrans-59.7-14.7-177.355.20000115.8T317S315-T317 VanDerWaalsContact C-N 3.32Å
316N79.3Confident84.8Confident122 Ų12266.6 Ų66.665%0.65234%0.337SS*.THydrogen-bonded Turntrans-82.2-5.7175.6-160.65.1000113.3R314R314-N316 PolarHBondContact O-N 2.96Å
317T81.3Confident84.7Confident11 Ų1169.9 Ų69.97%0.06734%0.344CS..SBendtrans-84124.7-180-64.40000110.8A203 L311 R314 S315 N321 R322A203-T317 WeakPolarHBondContact O-CA 3.46Å; A203-T317 WeakPolarHBondContact O-CG2 3.31Å; L311-T317 PolarHBondContact O-OG1 2.79Å; R314-T317 VanDerWaalsContact O-CB 3.32Å; R314-T317 WeakPolarHBondContact O-CB 3.42Å; R314-T317 PolarHBondContact O-N 3.45Å; R314-T317 PolarHBondContact O-OG1 3.33Å; S315-T317 VanDerWaalsContact C-N 3.32Å; T317-N321 HydrophobicContact CG2-CB 4.26Å; T317-R322 HydrophobicContact CG2-CB 3.97Å
318P82.3Confident84.7Confident40 Ų4066 Ų6626%0.2633%0.328SS..  trans-59.9138.8177.2-23.734.6000112.3A203 H320 N321 R322A203-P318 WeakPolarHBondContact O-CD 3.35Å; P318-H320 VanDerWaalsContact C-N 3.29Å; P318-H320 PolarHBondContact O-N 3.04Å; P318-H320 VanDerWaalsContact O-N 3.17Å; P318-N321 HydrophobicContact CB-CB 4.45Å; P318-N321 WeakPolarHBondContact O-CA 3.33Å; P318-N321 WeakPolarHBondContact O-CB 3.49Å; P318-N321 PolarHBondContact O-N 2.73Å; P318-R322 PolarHBondContact O-N 2.79Å
319G82.9Confident84.8Confident45 Ų4566.5 Ų66.546%0.46433%0.331SS..Hα-helixtrans-56.6-36-173.900000115R322 H323G319-R322 PolarHBondContact O-N 3.36Å; G319-H323 PolarHBondContact O-N 2.97Å
320H82.7Confident84.7Confident107 Ų10767.4 Ų67.450%0.49533%0.334SS..Hα-helixtrans-61.6-44.4173.1178.397.7000112.2H208 P318 H323 K324H208-H320 AromaticContact CE1-CD2 3.68Å; H208-H320 AromaticContact CE1-CG 3.56Å; H208-H320 AromaticContact CE1-ND1 3.98Å; H208-H320 AromaticContact ND1-CD2 3.28Å; H208-H320 PolarHBondContact ND1-CD2 3.47Å; H208-H320 VanDerWaalsContact ND1-CD2 3.28Å; H208-H320 AromaticContact ND1-CG 3.63Å; H208-H320 AromaticContact ND1-ND1 4Å; P318-H320 VanDerWaalsContact C-N 3.29Å; P318-H320 PolarHBondContact O-N 3.04Å; P318-H320 VanDerWaalsContact O-N 3.17Å; H320-H323 PolarHBondContact O-N 2.89Å; H320-K324 PolarHBondContact O-N 3.49Å
321N84.9Confident84.5Confident1 Ų165.9 Ų65.91%0.00533%0.33CS..Hα-helixtrans-66.5-46.6179.3-59.923.1000109.1A202 T205 F211 T317 P318 H323 K324 L325A202-N321 PolarHBondContact O-ND2 2.77Å; T205-N321 PolarHBondContact O-ND2 3.3Å; F211-N321 HydrophobicContact CD2-CB 3.95Å; F211-N321 VanDerWaalsContact CD2-ND2 3.32Å; F211-N321 WeakPolarHBondContact CD2-ND2 3.43Å; F211-N321 HydrophobicContact CE1-CB 4.4Å; F211-N321 HydrophobicContact CE2-CB 3.54Å; F211-N321 HydrophobicContact CZ-CB 3.8Å; T317-N321 HydrophobicContact CG2-CB 4.26Å; P318-N321 HydrophobicContact CB-CB 4.45Å; P318-N321 WeakPolarHBondContact O-CA 3.33Å; P318-N321 WeakPolarHBondContact O-CB 3.49Å; P318-N321 PolarHBondContact O-N 2.73Å; N321-H323 VanDerWaalsContact C-N 3.35Å; N321-H323 PolarHBondContact O-N 3.29Å; N321-K324 PolarHBondContact O-N 2.89Å; N321-L325 WeakPolarHBondContact O-CB 3.49Å; N321-L325 VanDerWaalsContact O-CG 3.27Å; N321-L325 WeakPolarHBondContact O-CG 3.36Å; N321-L325 PolarHBondContact O-N 3.42Å
322R86.4Confident84.4Confident105 Ų10565.4 Ų65.440%0.39633%0.328SS..Hα-helixtrans-55-46.8176.7-172.1175.869.8-153.23.2112.2A312 T317 P318 G319 K324 L325 Y326A312-R322 WeakPolarHBondContact O-CD 3.49Å; T317-R322 HydrophobicContact CG2-CB 3.97Å; P318-R322 PolarHBondContact O-N 2.79Å; G319-R322 PolarHBondContact O-N 3.36Å; R322-K324 PolarHBondContact O-N 3.46Å; R322-L325 PolarHBondContact O-N 3.19Å; R322-Y326 HydrophobicContact CG-CD2 4.03Å; R322-Y326 HydrophobicContact CG-CE1 4.1Å; R322-Y326 HydrophobicContact CG-CE2 3.53Å; R322-Y326 VanDerWaalsContact O-CG 3.31Å; R322-Y326 PolarHBondContact O-N 3.37Å
323H85.6Confident84.4Confident139 Ų13970.3 Ų70.364%0.64435%0.346SS*.Hα-helixtrans-62.3-41.8178.3-168.871.4000113G319 H320 N321 R327G319-H323 PolarHBondContact O-N 2.97Å; H320-H323 PolarHBondContact O-N 2.89Å; N321-H323 VanDerWaalsContact C-N 3.35Å; N321-H323 PolarHBondContact O-N 3.29Å; H323-R327 PolarHBondContact NE2-NE 2.9Å; H323-R327 PolarHBondContact NE2-NH2 3.18Å; H323-R327 PolarHBondContact O-N 3.03Å
324K85.3Confident84.3Confident70 Ų7069 Ų6930%0.30434%0.335SS..Hα-helixtrans-72.8-36.8176.4-79.5-176169.2178.90113.1F211 H320 N321 R322 R327 V328F211-K324 HydrophobicContact CD1-CD 4.37Å; F211-K324 HydrophobicContact CE1-CB 3.7Å; F211-K324 HydrophobicContact CE1-CD 3.69Å; F211-K324 HydrophobicContact CE1-CG 4.32Å; F211-K324 HydrophobicContact CZ-CB 3.93Å; H320-K324 PolarHBondContact O-N 3.49Å; N321-K324 PolarHBondContact O-N 2.89Å; R322-K324 PolarHBondContact O-N 3.46Å; K324-R327 WeakPolarHBondContact O-CB 3.41Å; K324-R327 PolarHBondContact O-N 3.44Å; K324-V328 PolarHBondContact O-N 2.96Å; K324-V328 VanDerWaalsContact O-N 3.17Å
325L86.4Confident84.1Confident1 Ų166 Ų661%0.00533%0.328CS..Hα-helixtrans-64.6-41.7174.1-71176.2000110.7A203 F211 F219 L308 A312 N321 R322 R327 V328 I329A203-L325 HydrophobicContact CB-CD1 4.42Å; F211-L325 HydrophobicContact CE2-CD1 4.37Å; F211-L325 HydrophobicContact CE2-CD2 4.16Å; F211-L325 HydrophobicContact CE2-CG 4.06Å; F211-L325 HydrophobicContact CZ-CD2 4.21Å; F211-L325 HydrophobicContact CZ-CG 4.01Å; F219-L325 HydrophobicContact CE2-CD2 4.05Å; L308-L325 HydrophobicContact CD2-CD2 4.33Å; A312-L325 HydrophobicContact CB-CB 3.98Å; A312-L325 HydrophobicContact CB-CD1 3.9Å; N321-L325 WeakPolarHBondContact O-CB 3.49Å; N321-L325 VanDerWaalsContact O-CG 3.27Å; N321-L325 WeakPolarHBondContact O-CG 3.36Å; N321-L325 PolarHBondContact O-N 3.42Å; R322-L325 PolarHBondContact O-N 3.19Å; L325-R327 VanDerWaalsContact C-N 3.28Å; L325-R327 PolarHBondContact O-N 3.41Å; L325-V328 PolarHBondContact O-N 3.2Å; L325-V328 VanDerWaalsContact O-N 3.11Å; L325-I329 HydrophobicContact CB-CD1 4.35Å; L325-I329 WeakPolarHBondContact O-CB 3.49Å; L325-I329 WeakPolarHBondContact O-CD1 3.26Å; L325-I329 WeakPolarHBondContact O-CG1 3.47Å; L325-I329 PolarHBondContact O-N 2.86Å
326Y88.8Confident84.5Confident85 Ų8562.3 Ų62.333%0.33330%0.302SS..Hα-helixtrans-61.9-31.7174.8-69.3-20.3000113.3F309 A312 R322 I329 K330F309-Y326 HydrophobicContact CD2-CD1 4.29Å; F309-Y326 AromaticContact CD2-CE1 3.8Å; F309-Y326 HydrophobicContact CD2-CE1 3.8Å; F309-Y326 AromaticContact CE2-CE1 3.89Å; F309-Y326 HydrophobicContact CE2-CE1 3.89Å; A312-Y326 HydrophobicContact CB-CD1 4.32Å; A312-Y326 HydrophobicContact CB-CE1 3.93Å; R322-Y326 HydrophobicContact CG-CD2 4.03Å; R322-Y326 HydrophobicContact CG-CE1 4.1Å; R322-Y326 HydrophobicContact CG-CE2 3.53Å; R322-Y326 VanDerWaalsContact O-CG 3.31Å; R322-Y326 PolarHBondContact O-N 3.37Å; Y326-I329 HydrophobicContact CD1-CD1 3.9Å; Y326-K330 PolarHBondContact O-N 3.34Å
327R87Confident84.4Confident153 Ų15362.4 Ų62.458%0.57730%0.298SS*.Hα-helixtrans-65.3-45.1170.3-68.8178.1176.4-145.6-9.9112.2H323 K324 L325 K330 V331H323-R327 PolarHBondContact NE2-NE 2.9Å; H323-R327 PolarHBondContact NE2-NH2 3.18Å; H323-R327 PolarHBondContact O-N 3.03Å; K324-R327 WeakPolarHBondContact O-CB 3.41Å; K324-R327 PolarHBondContact O-N 3.44Å; L325-R327 VanDerWaalsContact C-N 3.28Å; L325-R327 PolarHBondContact O-N 3.41Å; R327-K330 PolarHBondContact O-N 3.33Å; R327-V331 PolarHBondContact O-N 3.27Å; R327-V331 VanDerWaalsContact O-N 3.13Å
328V86Confident83.5Confident19 Ų1965 Ų6512%0.11533%0.327CS..Hα-helixtrans-63.5-43.6176.1171.30000111.2F219 I223 L308 K324 L325 K330 V331 L332F219-V328 HydrophobicContact CB-CG1 3.74Å; F219-V328 HydrophobicContact CB-CG2 4.36Å; F219-V328 HydrophobicContact CD2-CG1 4.16Å; F219-V328 HydrophobicContact CG-CG1 3.93Å; I223-V328 HydrophobicContact CD1-CG1 4.46Å; L308-V328 HydrophobicContact CD1-CG1 4.15Å; K324-V328 PolarHBondContact O-N 2.96Å; K324-V328 VanDerWaalsContact O-N 3.17Å; L325-V328 PolarHBondContact O-N 3.2Å; L325-V328 VanDerWaalsContact O-N 3.11Å; V328-K330 VanDerWaalsContact C-N 3.33Å; V328-K330 PolarHBondContact O-N 3.23Å; V328-V331 PolarHBondContact O-N 3.4Å; V328-L332 HydrophobicContact CG1-CD1 3.79Å; V328-L332 HydrophobicContact CG1-CG 4.29Å; V328-L332 WeakPolarHBondContact O-CB 3.48Å; V328-L332 VanDerWaalsContact O-CG 3.31Å; V328-L332 WeakPolarHBondContact O-CG 3.38Å; V328-L332 PolarHBondContact O-N 3.08Å
329I87.2Confident82.1Confident11 Ų1166.5 Ų66.56%0.05634%0.336CS..Hα-helixtrans-61.7-39.6176.8-69.4157.3000111A305 L308 F309 A312 L325 Y326 R333A305-I329 HydrophobicContact CB-CG2 4.25Å; L308-I329 HydrophobicContact CB-CD1 3.83Å; L308-I329 HydrophobicContact CB-CG1 3.59Å; F309-I329 HydrophobicContact CB-CD1 4.09Å; F309-I329 HydrophobicContact CB-CG2 4.45Å; A312-I329 HydrophobicContact CB-CD1 4.26Å; L325-I329 HydrophobicContact CB-CD1 4.35Å; L325-I329 WeakPolarHBondContact O-CB 3.49Å; L325-I329 WeakPolarHBondContact O-CD1 3.26Å; L325-I329 WeakPolarHBondContact O-CG1 3.47Å; L325-I329 PolarHBondContact O-N 2.86Å; Y326-I329 HydrophobicContact CD1-CD1 3.9Å; I329-R333 WeakPolarHBondContact O-CB 3.44Å; I329-R333 PolarHBondContact O-N 2.77Å
330K86.7Confident80.3Confident118 Ų11870.1 Ų70.151%0.51335%0.354SS..Hα-helixtrans-60-55.8173.2-163.8-161.1177.5-74.90110.3Y326 R327 V328 L332 R333 D334Y326-K330 PolarHBondContact O-N 3.34Å; R327-K330 PolarHBondContact O-N 3.33Å; V328-K330 VanDerWaalsContact C-N 3.33Å; V328-K330 PolarHBondContact O-N 3.23Å; K330-L332 VanDerWaalsContact C-N 3.31Å; K330-L332 PolarHBondContact O-N 3.03Å; K330-R333 CarbonylContact O-C 3.55Å; K330-R333 WeakPolarHBondContact O-CA 3.43Å; K330-R333 WeakPolarHBondContact O-CB 3.39Å; K330-R333 PolarHBondContact O-N 3.08Å; K330-D334 WeakPolarHBondContact CG-OD2 3.41Å; K330-D334 IonicContact NZ-OD1 2.93Å; K330-D334 PolarHBondContact NZ-OD1 3.45Å; K330-D334 IonicContact NZ-OD2 3.24Å; K330-D334 PolarHBondContact NZ-OD2 2.72Å; K330-D334 PolarHBondContact O-N 2.85Å
331V85.1Confident78.5Confident42 Ų4271.4 Ų71.426%0.25536%0.363SS..Hα-helixtrans-60.2-38.8-177.9177.40000112.3I223 R327 V328 R333 D334 L335I223-V331 HydrophobicContact CD1-CB 4.19Å; I223-V331 HydrophobicContact CD1-CG1 3.82Å; I223-V331 HydrophobicContact CG1-CG1 4.12Å; I223-V331 HydrophobicContact CG2-CG1 3.81Å; R327-V331 PolarHBondContact O-N 3.27Å; R327-V331 VanDerWaalsContact O-N 3.13Å; V328-V331 PolarHBondContact O-N 3.4Å; V331-R333 VanDerWaalsContact C-N 3.32Å; V331-R333 PolarHBondContact O-N 2.87Å; V331-D334 PolarHBondContact O-N 3.39Å; V331-L335 HydrophobicContact CG1-CD1 4.24Å; V331-L335 WeakPolarHBondContact O-CB 3.43Å; V331-L335 VanDerWaalsContact O-CG 3.24Å; V331-L335 WeakPolarHBondContact O-CG 3.43Å; V331-L335 PolarHBondContact O-N 3.26Å
332L85.1Confident76.6Confident1 Ų180.3 Ų80.31%0.00540%0.402CS..Hα-helixtrans-65.2-33.8174.6-71.6170.9000112.8I223 Y301 L304 A305 L308 V328 K330 S336I223-L332 HydrophobicContact CG1-CD2 4.07Å; Y301-L332 WeakPolarHBondContact CB-O 3.42Å; Y301-L332 HydrophobicContact CD1-CD2 3.95Å; L304-L332 HydrophobicContact CD2-CD1 3.92Å; L304-L332 HydrophobicContact CD2-CD2 4.08Å; L304-L332 HydrophobicContact CG-CD1 3.91Å; A305-L332 HydrophobicContact CB-CB 3.94Å; L308-L332 HydrophobicContact CD1-CD1 3.63Å; V328-L332 HydrophobicContact CG1-CD1 3.79Å; V328-L332 HydrophobicContact CG1-CG 4.29Å; V328-L332 WeakPolarHBondContact O-CB 3.48Å; V328-L332 VanDerWaalsContact O-CG 3.31Å; V328-L332 WeakPolarHBondContact O-CG 3.38Å; V328-L332 PolarHBondContact O-N 3.08Å; K330-L332 VanDerWaalsContact C-N 3.31Å; K330-L332 PolarHBondContact O-N 3.03Å; L332-S336 PolarHBondContact O-N 3.24Å
333R86.2Confident74.7Confident103 Ų10379.1 Ų79.139%0.38941%0.408SS..Hα-helixtrans-74.4-45.6174.3-176168.1-66.6-174.4-2.6112D306 I329 K330 V331 L335 S336 E337D306-R333 IonicContact OD1-NH2 3.19Å; D306-R333 PolarHBondContact OD1-NH2 3.28Å; I329-R333 WeakPolarHBondContact O-CB 3.44Å; I329-R333 PolarHBondContact O-N 2.77Å; K330-R333 CarbonylContact O-C 3.55Å; K330-R333 WeakPolarHBondContact O-CA 3.43Å; K330-R333 WeakPolarHBondContact O-CB 3.39Å; K330-R333 PolarHBondContact O-N 3.08Å; V331-R333 VanDerWaalsContact C-N 3.32Å; V331-R333 PolarHBondContact O-N 2.87Å; R333-L335 PolarHBondContact O-N 3.16Å; R333-S336 WeakPolarHBondContact CA-OG 3.48Å; R333-S336 PolarHBondContact O-N 2.97Å; R333-S336 PolarHBondContact O-OG 3.04Å; R333-E337 VanDerWaalsContact CD-OE1 3.25Å; R333-E337 WeakPolarHBondContact CD-OE1 3.29Å; R333-E337 HydrophobicContact CG-CG 4.23Å; R333-E337 WeakPolarHBondContact CG-OE1 3.42Å; R333-E337 WeakPolarHBondContact O-CB 3.19Å; R333-E337 WeakPolarHBondContact O-CG 3.24Å; R333-E337 PolarHBondContact O-N 3.47Å
334D83.8Confident72.7Confident27 Ų2780.7 Ų80.714%0.14442%0.415CS..Hα-helixtrans-53.1-41.7174.1-57.6-29.4000110.4K330 V331 T339K330-D334 WeakPolarHBondContact CG-OD2 3.41Å; K330-D334 IonicContact NZ-OD1 2.93Å; K330-D334 PolarHBondContact NZ-OD1 3.45Å; K330-D334 IonicContact NZ-OD2 3.24Å; K330-D334 PolarHBondContact NZ-OD2 2.72Å; K330-D334 PolarHBondContact O-N 2.85Å; V331-D334 PolarHBondContact O-N 3.39Å; D334-T339 PolarHBondContact O-N 3.46Å; D334-T339 VanDerWaalsContact O-N 3.08Å
335L82.1Confident71Confident59 Ų5984.8 Ų84.831%0.30944%0.441SS..Hα-helixtrans-65.2-45.6171.7-75.9169.3000113.1I223 A226 V331 R333 E337 G338I223-L335 HydrophobicContact CB-CD1 4.47Å; I223-L335 HydrophobicContact CG1-CD1 4.1Å; I223-L335 HydrophobicContact CG2-CD1 4.3Å; A226-L335 HydrophobicContact CB-CD1 4.06Å; A226-L335 HydrophobicContact CB-CD2 4.35Å; V331-L335 HydrophobicContact CG1-CD1 4.24Å; V331-L335 WeakPolarHBondContact O-CB 3.43Å; V331-L335 VanDerWaalsContact O-CG 3.24Å; V331-L335 WeakPolarHBondContact O-CG 3.43Å; V331-L335 PolarHBondContact O-N 3.26Å; R333-L335 PolarHBondContact O-N 3.16Å; L335-E337 VanDerWaalsContact C-N 3.27Å; L335-E337 PolarHBondContact O-N 3.48Å; L335-G338 PolarHBondContact O-N 3.13Å
336S78.8Confident68.8Low50 Ų5093.4 Ų93.435%0.3548%0.481SS..Hα-helixtrans-66.4-27.8179.269.50000113.7L332 R333 G338L332-S336 PolarHBondContact O-N 3.24Å; R333-S336 WeakPolarHBondContact CA-OG 3.48Å; R333-S336 PolarHBondContact O-N 2.97Å; R333-S336 PolarHBondContact O-OG 3.04Å; S336-G338 PolarHBondContact O-N 3.29Å
337E78.3Confident66.4Low124 Ų12498.5 Ų98.558%0.57950%0.501SS*.THydrogen-bonded Turntrans-86.310.9177.6-67.7173.5-170.100111.8R333 L335 T339R333-E337 VanDerWaalsContact CD-OE1 3.25Å; R333-E337 WeakPolarHBondContact CD-OE1 3.29Å; R333-E337 HydrophobicContact CG-CG 4.23Å; R333-E337 WeakPolarHBondContact CG-OE1 3.42Å; R333-E337 WeakPolarHBondContact O-CB 3.19Å; R333-E337 WeakPolarHBondContact O-CG 3.24Å; R333-E337 PolarHBondContact O-N 3.47Å; L335-E337 VanDerWaalsContact C-N 3.27Å; L335-E337 PolarHBondContact O-N 3.48Å; E337-T339 PolarHBondContact O-N 3.4Å; E337-T339 PolarHBondContact O-OG1 3.23Å
338G62.1Low64.3Low65 Ų6597.1 Ų97.167%0.6751%0.511SS*.THydrogen-bonded Turntrans65.39.1177.500000114.8L335 S336 S340L335-G338 PolarHBondContact O-N 3.13Å; S336-G338 PolarHBondContact O-N 3.29Å; G338-S340 VanDerWaalsContact C-N 3.33Å; G338-S340 PolarHBondContact O-N 3.46Å
339T53.2Low62.3Low71 Ų71104 Ų10444%0.43654%0.542SS..  trans-8282.2-173.7-60.40000109.6D334 E337 I341D334-T339 PolarHBondContact O-N 3.46Å; D334-T339 VanDerWaalsContact O-N 3.08Å; E337-T339 PolarHBondContact O-N 3.4Å; E337-T339 PolarHBondContact O-OG1 3.23Å; T339-I341 HydrophobicContact CG2-CB 4.44Å; T339-I341 HydrophobicContact CG2-CG1 4.45Å; T339-I341 PolarHBondContact O-N 3.09Å
340S45.3Very low60Low121 Ų121111.5 Ų111.585%0.84658%0.577SS**  trans-71.858.8177.7-167.20000112.5G338G338-S340 VanDerWaalsContact C-N 3.33Å; G338-S340 PolarHBondContact O-N 3.46Å
341I44.4Very low57.6Low134 Ų134112.9 Ų112.969%0.68760%0.595SS**  trans-128.4106.6172.1-57.4180000107T339 P343T339-I341 HydrophobicContact CG2-CB 4.44Å; T339-I341 HydrophobicContact CG2-CG1 4.45Å; T339-I341 PolarHBondContact O-N 3.09Å; I341-P343 WeakPolarHBondContact O-CD 3.34Å
342F43.8Very low55.2Low189 Ų189115.5 Ų115.583%0.82962%0.616SS**  trans-53.3131.2171.2-91.3-105000109.8Q344F342-Q344 VanDerWaalsContact C-N 3.26Å; F342-Q344 PolarHBondContact O-N 2.99Å
343P48.2Very low53.1Low79 Ų79120.6 Ų120.651%0.51365%0.647SS.*  trans-66.485.2168.5-2234.7000111.1I341I341-P343 WeakPolarHBondContact O-CD 3.34Å
344Q43.3Very low50.5Low172 Ų172122.2 Ų122.280%0.80466%0.663SS**  trans-61.7144149.6-66.2-172.2-6.300107.5F342 E346F342-Q344 VanDerWaalsContact C-N 3.26Å; F342-Q344 PolarHBondContact O-N 2.99Å; Q344-E346 PolarHBondContact O-N 3.02Å
345D49Very low48.5Very low157 Ų157129 Ų12984%0.8469%0.694SS**  trans-74.361.7-177.1-77.5-61.5000111.2Y347D345-Y347 PolarHBondContact O-N 2.9Å; D345-Y347 VanDerWaalsContact O-N 3.13Å
346E39.6Very low46.6Very low181 Ų181133.9 Ų133.985%0.84672%0.72SS**  trans-72.3103.6170.6-169152.7-125.300109.1Q344Q344-E346 PolarHBondContact O-N 3.02Å
347Y39.4Very low44.8Very low193 Ų193138.7 Ų138.776%0.75774%0.742SS**  trans-63138.4170.6-102.3-111.9000109.4D345 E349D345-Y347 PolarHBondContact O-N 2.9Å; D345-Y347 VanDerWaalsContact O-N 3.13Å; Y347-E349 PolarHBondContact O-N 2.85Å
348P43Very low42.9Very low123 Ų123140.1 Ų140.180%0.79975%0.754SS**  trans-67.185.1161.2-19.533.4000110.2
349E43Very low41.8Very low164 Ų164145.6 Ų145.677%0.76676%0.764SS**  trans-70.2167.6155-66.1-165.2125.300109.5Y347Y347-E349 PolarHBondContact O-N 2.85Å
350E38.5Very low40.8Very low168 Ų168151.9 Ų151.979%0.78579%0.786SS**  trans62.262.7173.7-52-59.6109.800117.2
351V36.5Very low40.1Very low147 Ų147148.9 Ų148.989%0.89177%0.774SS**  trans-121.986.8140.6-114.10000110.1
352S36.2Very low39.9Very low98 Ų98148 Ų14869%0.68578%0.78SS**  trans-158.7152.3173.8-160.40000107.9
353T39.7Very low39.6Very low108 Ų108150.7 Ų150.766%0.66379%0.785SS**  cis-82.4-143.6-7.945.80000110
354D32Very low38.9Very low136 Ų136156.7 Ų156.773%0.72780%0.803SS**  cis-160.5163.8-1.9-121.9-33.6000106.4
355E41.6Very low38.6Very low169 Ų169159.2 Ų159.279%0.7981%0.805SS**  cis-130.7151.73.8-56.1170.2107.200108.8
356D42.5Very low37.8Very low162 Ų162160.7 Ų160.787%0.86681%0.809SS**  trans146.8118.7147-86.3-17.4000112.8
357D40.5Very low37.6Very low152 Ų152161.9 Ų161.981%0.81381%0.811SS**  trans-68.3165.6162.1-65.7-70.5000110.5
358D39.6Very low37.3Very low154 Ų154163.6 Ų163.682%0.82482%0.816SS**  cis-140.7144.925-76.1-75000112
359M38.5Very low36.9Very low179 Ų179163.9 Ų163.988%0.88282%0.818SS**  -176107118.4-170.464.1-170.200111
360F31.4Very low36.4Very low203 Ų203160.5 Ų160.589%0.8982%0.819SS**  trans-87.9135.1-173.6-156.2-92.6000113.7
361G31.3Very low36Very low58 Ų58163 Ų16360%0.59882%0.821SS**  trans91142.7161.600000117
362S39.8Very low35.7Very low117 Ų117163.1 Ų163.182%0.81882%0.816SS**  cis-153.3134.9-5.6-83.70000111.5
363R36.9Very low35.4Very low244 Ų244165.7 Ų165.792%0.92182%0.818SS**  trans-78.6166.1163.5-59.8-174.2-170.6-175.66.1109.9
364K34.2Very low35Very low205 Ų205167.5 Ų167.589%0.89182%0.823SS**  trans69.1146.6167.4-98168-176.6171.10112.9
365R36.3Very low35Very low226 Ų226168.3 Ų168.385%0.85383%0.827SS**  cis-164.5147.116172.9172.8171.8179.5-2.7109.2K367R365-K367 PolarHBondContact O-N 3.06Å
366M34.3Very low34.5Very low187 Ų187168.3 Ų168.392%0.92183%0.828SS**  trans-60.3135.6170.2-71.7-175.8174.600111.3
367K34.3Very low33.9Very low206 Ų206167.4 Ų167.490%0.89682%0.818SS**  trans-109.5119.7167.9-148.2172.8-174.9-178.60108.7R365R365-K367 PolarHBondContact O-N 3.06Å
368R34.2Very low33.5Very low229 Ų229168.3 Ų168.386%0.86482%0.815SS**PPolyproline II helixtrans-73.4155.6168.6-78.9-178.2176.5173.9-1.2109.1
369P34.5Very low33Very low130 Ų130164.9 Ų164.984%0.84482%0.815SS**PPolyproline II helixtrans-63.9141.5-177.426.9-35.4000111.4
370A31Very low32.5Very low93 Ų93166.2 Ų166.277%0.76982%0.816SS**PPolyproline II helixtrans-82.7157.9163.500000109.9
371R30.3Very low33Very low221 Ų221162.6 Ų162.683%0.83481%0.813SS**PPolyproline II helixtrans-92.7140.4170.9-168.8-174.9-166.8-1781.2107.2
372N29.6Very low32.9Very low149 Ų149164.2 Ų164.280%0.79782%0.821SS**PPolyproline II helixtrans-83.6141.6168.4-69.514.6000109.4
373E30.5Very low32.4Very low152 Ų152165.4 Ų165.471%0.7182%0.823SS**  trans-119.4121.2150.3-73.4166.3177.300104.1
374D31.8Very low32.3Very low146 Ų146162.7 Ų162.778%0.78182%0.818SS**  trans47.6142134.9-39.2-33000119.6
375D31.7Very low31.9Very low152 Ų152162.8 Ų162.881%0.81382%0.819SS**  cis-155.9-162.611.3-147.4-35.8000111.6
376E31.4Very low31.8Very low170 Ų170156.6 Ų156.679%0.79481%0.81SS**  trans81.886.4168.5-62.4-148.3142.100120.5
377E30.3Very low32.2Very low143 Ų143152.8 Ų152.867%0.66880%0.799SS**  64.8153.9114-125.6-149.3126.700124.8
378K31.2Very low31.9Very low171 Ų171148.5 Ų148.574%0.74380%0.795SS**  trans65.8126.2165.6-59.1-175.317566.20119.7
379G28.6Very low31.8Very low81 Ų81145.6 Ų145.684%0.83579%0.791SS**  trans130.984.3150.800000118.7
380K29.1Very low32.2Very low208 Ų208145.1 Ų145.190%0.90479%0.789SS**  trans-114.4162.7151.7-76.1-177.5-178.1174.90107.3
381P42Very low32.3Very low126 Ų126147.7 Ų147.782%0.81879%0.785SS**  cis-137.6-168.621.642.4-22.9000116.2
382A28.5Very low33.2Very low93 Ų93143.2 Ų143.277%0.76978%0.784SS**  trans-82.8176-176.700000115.3
383V29.8Very low33Very low141 Ų141139.4 Ų139.486%0.85578%0.78SS**  trans-158.7164.9136.7131.40000111.3
384K34.3Very low33Very low187 Ų187135.9 Ų135.981%0.81378%0.784SS**  trans-92.4172.6-175.3-49.8165.1-175.9171.70111.7
385F25.5Very low33Very low207 Ų207134.5 Ų134.591%0.90879%0.787SS**  -176.5161.7114.1-111.5-86.2000112.6
386S34.3Very low34.1Very low96 Ų96132.4 Ų132.467%0.67178%0.781SS**  trans-118.9-178.8162.662.80000108.4
387P44Very low34Very low107 Ų107131.5 Ų131.570%0.69578%0.781SS**  -161.2-170.971.839.9-15.5000117.7
388S27.9Very low34Very low117 Ų117128.1 Ų128.182%0.81879%0.785SS**  trans78.3146.2143.254.20000123.5
389E31Very low34Very low167 Ų167127.9 Ų127.978%0.7878%0.783SS**  trans-118.1174.1179.4-147.8-178.7-112.100108.2
390P43.7Very low34.1Very low121 Ų121132.4 Ų132.479%0.78678%0.783SS**  -154.9171.38139.8-18.8000118.8
391E33.1Very low34.2Very low147 Ų147132.4 Ų132.469%0.68778%0.777SS**  trans-53.3179.5163-85-76.3126.300115.8G393E391-G393 PolarHBondContact OE2-N 3.42Å
392P49.2Very low33.8Very low126 Ų126134 Ų13482%0.81877%0.771SS**  cis-147.7167.526.743.2-22.4000122
393G25.1Very low33.9Very low69 Ų69136.9 Ų136.971%0.71177%0.769SS**  trans172.7104.2152.700000119E391E391-G393 PolarHBondContact OE2-N 3.42Å
394G29.9Very low33.9Very low78 Ų78134.4 Ų134.480%0.80476%0.757SS**  trans-101.3-168.7169.100000113.3
395S33.1Very low33.7Very low118 Ų118132.3 Ų132.383%0.82576%0.761SS**  cis-177.5-169.4-1.9-113.20000107.8
396P53.3Low33.8Very low107 Ų107125.8 Ų125.870%0.69575%0.751SS**  -134.2-154.3-6141.7-22.4000113.6
397L29.8Very low33.7Very low151 Ų151130.1 Ų130.179%0.79176%0.758SS**  trans87.6130.7175.8-56.3158.7000115
398G29.9Very low33.1Very low73 Ų73130.4 Ų130.475%0.75375%0.754SS**  cis174178.72.300000110.4
399K31.6Very low33.5Very low165 Ų165132.6 Ų132.672%0.71775%0.751SS**  cis-164.8136.8-7.4-95167.6-175.7174.70109.1
400H31.4Very low33.4Very low176 Ų176132.1 Ų132.182%0.81575%0.754SS**  trans65.1156.3156.5-64.5-41.1000120.8
401R30.5Very low32.8Very low208 Ų208130 Ų13079%0.78575%0.746SS**  cis-173124.7-19.5161.6175.2155.8164-6.1112.8
402K33.7Very low32.6Very low159 Ų159130.3 Ų130.369%0.69175%0.753SS**  trans62.4128.5151.2-74.2-175.1163.4-154.80120.5
403Q31.6Very low31.7Very low155 Ų155129.7 Ų129.772%0.72475%0.751SS**  68.2148.995.8-62.2176.3-43.200116
404S28.5Very low32Very low88 Ų88136 Ų13662%0.61576%0.759SS**  cis-178.2165.5-22.757.30000109.8
405T29.8Very low32.4Very low144 Ų144138.2 Ų138.288%0.88376%0.76SS**  trans61.2152.5159.247.50000119.2
406G27.9Very low32.1Very low69 Ų69137.8 Ų137.871%0.71176%0.763SS**  cis159.8163.4-10.700000114.4
407K33.5Very low30.7Very low187 Ų187135.9 Ų135.981%0.81376%0.763SS**  trans70.6133.2160.9-83.4-175.2173.5178.30122.8
408N31.3Very low30.4Very low113 Ų113135.3 Ų135.360%0.60477%0.77SS**  trans70.4155.9134.9-65.66.8000120
409H34.8Very low30.3Very low163 Ų163137.3 Ų137.376%0.75577%0.772SS**  cis-161.5139.3-12.6-110.6-28.7000112.1
410N29.8Very low30.1Very low158 Ų158137.9 Ų137.985%0.84578%0.778SS**  trans64.3163.2136.4-152.930.1000123.2
411A31.3Very low30Very low76 Ų76136.3 Ų136.363%0.62878%0.775SS**  trans87.597.3153.700000122.8
412D29.7Very low29.9Very low154 Ų154131.1 Ų131.182%0.82477%0.771SS**  78.6143.7116.7-120.8-55.1000126.4
413S29.6Very low29.6Very low113 Ų113129.9 Ų129.979%0.7978%0.776SS**  trans72.3145.3148.4-77.80000125.5
414K31.3Very low29.3Very low201 Ų201129.9 Ų129.987%0.87478%0.776SS**  trans-90160.4179.8-58.7175.1172.6178.90112.4
415P38.8Very low29.2Very low125 Ų125132.5 Ų132.581%0.81278%0.779SS**  -132.5165.485.89.514.6000112.5
416A25.9Very low29Very low109 Ų109130.8 Ų130.890%0.90177%0.772SS**  cis98.6125.934.800000115
417G24.7Very low29.9Very low67 Ų67133.4 Ų133.469%0.69178%0.777SS**  trans141.8120.3-175.100000109.6
418C23Very low29.2Very low138 Ų138129.8 Ų129.893%0.93277%0.774SS**  65.9129.977.4-69.50000113.6
419S26.7Very low29.3Very low115 Ų115129.5 Ų129.580%0.80478%0.781SS**  cis-154.8176.42.658.20000112.8
420E28.6Very low29Very low178 Ų178128 Ų12883%0.83278%0.784SS**  trans-66.1166.3163.1-59.3147.5141.300109.6
421D28.4Very low29Very low142 Ų142125.3 Ų125.376%0.75978%0.777SS**  cis-165157.325.7-162.6-14.8000112.5
422S29.5Very low28.7Very low99 Ų99130.5 Ų130.569%0.69279%0.788SS**  trans67.8161.3148.7-77.30000125.7
423V27.7Very low28.7Very low134 Ų134127.6 Ų127.681%0.81279%0.786SS**  trans101.8102.8160.9-168.10000120.1
424E24.6Very low29.5Very low154 Ų154127.8 Ų127.872%0.7278%0.784SS**  trans32.7139.7138.2-64.4-143.293.400127.2
425Q26.6Very low29.4Very low144 Ų144125.8 Ų125.867%0.67378%0.782SS**  trans72.7102.4136.5-72.2-1804400124.2
426S25.3Very low28.8Very low107 Ų107128 Ų12875%0.74878%0.782SS**  71.8-168.2114.6-49.90000119.7
427P45.8Very low29Very low125 Ų125126.1 Ų126.181%0.81277%0.766SS**  -133.2-148.5-92.944.9-27000115.1
428C20.2Very low29.2Very low110 Ų110131.1 Ų131.174%0.74377%0.771SS**  trans97113.9-179.3-146.50000112.5
429S33.3Very low29.5Very low108 Ų108132.1 Ų132.176%0.75577%0.767SS**  69.4139.160.5-49.90000112.1
430T27.5Very low29.8Very low132 Ų132135.4 Ų135.481%0.8177%0.769SS**  cis-154.9177.547.237.50000111
431S31.1Very low30.4Very low100 Ų100132.1 Ų132.170%0.69976%0.763SS**  cis-165.7-176-10.243.70000107.8
432E25.3Very low30.3Very low185 Ų185133.3 Ų133.386%0.86477%0.769SS**  cis-139.7173.512.5-79.5-167.616000112.7
433A28.8Very low30.6Very low94 Ų94133.8 Ų133.878%0.77777%0.769SS**  trans-148.4153.3165.300000109.8
434P46Very low31.4Very low116 Ų116133.2 Ų133.275%0.75377%0.769SS**  -146.2167.6111.431.9-13.8000113.1
435L29.3Very low31.5Very low160 Ų160132.3 Ų132.384%0.83877%0.774SS**  cis-167.1177.2-13.4-107.3169.6000109.1
436E26.5Very low31.6Very low171 Ų171132.8 Ų132.880%0.79978%0.781SS**  trans93.793.5149.4-146.885.3-124.800122
437A30.6Very low31.8Very low69 Ų69135.1 Ų135.157%0.5779%0.785SS**  trans54.6107.2131.400000125.9
438Q28.8Very low31.1Very low172 Ų172134.1 Ų134.180%0.80478%0.781SS**  81.7126.2116.8-74.1-177.488.100124.8
439L28.3Very low31.7Very low159 Ų159137.4 Ų137.483%0.83279%0.786SS**  trans91.6166.2139.1-72.1167.6000121.1
440Q34.3Very low32.1Very low184 Ų184137.6 Ų137.686%0.8678%0.784SS**  trans-121.7171.7-151-100.8-177.7-8.400113.2
441P40.7Very low32Very low109 Ų109136.8 Ų136.871%0.70878%0.779SS**  trans-94.1166.4-14837.4-39.4000117
442L25.9Very low31.8Very low168 Ų168137.7 Ų137.788%0.8878%0.78SS**  trans-142.4-168.7159.3-65.5177.5000108.3
443P36.1Very low32Very low108 Ų108135 Ų13570%0.70178%0.776SS**  -121.9-178.3-100.436.5-16.5000113.5
444P43.8Very low32Very low122 Ų122135.8 Ų135.879%0.79277%0.768SS**  trans-86.5151.5174.734.3-35.3000113.8
445T26.6Very low31.3Very low136 Ų136140 Ų14083%0.83477%0.769SS**  trans-145.6149.5165.848.30000110.2
446N29Very low31.4Very low154 Ų154140.3 Ų140.382%0.82476%0.763SS**  trans-89.4156.7178.8-60.9-20.2000112.3
447D29.2Very low31.8Very low156 Ų156140.4 Ų140.483%0.83476%0.764SS**  trans164.1148141.8-93-37.4000109.1
448S33Very low32.1Very low104 Ų104144.1 Ų144.173%0.72777%0.769SS**  cis-160.8178.1-21.9-112.80000108.5
449E32.6Very low32.2Very low179 Ų179142.3 Ų142.384%0.83676%0.764SS**  trans-68.5176.9-172.4-53.3-168.5132.100116
450P40.4Very low32.4Very low111 Ų111140.3 Ų140.372%0.72176%0.759SS**  -148.8142.190.839.3-21.7000118.8
451T26.3Very low32.5Very low115 Ų115137 Ų13771%0.70676%0.756SS**  trans76.1130.1136.253.70000125
452V27.5Very low32.2Very low119 Ų119135.4 Ų135.472%0.72175%0.752SS**  118.6117.5119.2141.40000121.8
453T28.6Very low32.4Very low128 Ų128133.3 Ų133.379%0.78575%0.746SS**  trans64.3148.3157.552.90000121.2
454D29.1Very low32.2Very low112 Ų112132.8 Ų132.860%0.59975%0.745SS**  cis-165.1164.4-16.1176.737.5000110.7
455R31.1Very low31.4Very low205 Ų205134.4 Ų134.477%0.77475%0.748SS**  trans65.7118.3169-81.5157.8161.282.7-3.9118.3
456K30.9Very low31.5Very low165 Ų165133.9 Ų133.972%0.71774%0.744SS**  cis84.8120.545.5-169.7176.1-176.9175.60111.5
457Q35.2Very low32.3Very low174 Ų174131.8 Ų131.881%0.81374%0.739SS**  -144.413668-72163.511.400111.2
458Q36.3Very low32.3Very low146 Ų146129 Ų12968%0.68273%0.731SS**  64.1136.288.3-85.5174.5-55.500115
459L30.8Very low32Very low135 Ų135132.5 Ų132.571%0.70774%0.736SS**  cis-151.1138.645.5-153.470.5000114.8
460T34.1Very low31.8Very low116 Ų116128 Ų12871%0.71273%0.73SS**  trans40.5139.915054.30000122.8
461S34.4Very low32.1Very low114 Ų114128.4 Ų128.480%0.79773%0.732SS**  cis-171.6-154.7-6.950.30000107.2
462A35.2Very low32.2Very low77 Ų77127.1 Ų127.164%0.63673%0.733SS**  cis-167.6165.3-1.900000106.8
463T29.5Very low32.3Very low123 Ų123127.2 Ų127.276%0.75573%0.734SS**  cis-167.2159.9-24.831.70000108
464S32.5Very low32.3Very low97 Ų97128.9 Ų128.968%0.67874%0.737SS**  trans58137.7156.359.50000121.3
465D27.5Very low32.3Very low157 Ų157128.8 Ų128.884%0.8475%0.745SS**  cis-161.8172.5-13.4-109.6-47.7000112
466T28.5Very low32.2Very low124 Ų124122.6 Ų122.676%0.76175%0.746SS**  trans-118.6173.9178.6-25.30000110.7
467P45.1Very low32Very low110 Ų110121.9 Ų121.971%0.71475%0.75SS**  -156.417081.641.5-21.6000118
468S29.4Very low31.7Very low97 Ų97122.2 Ų122.268%0.67875%0.749SS**  trans61.7156151.6-95.30000120.5
469E26.5Very low31.4Very low178 Ų178123.3 Ų123.383%0.83275%0.751SS**  cis-151167.6-7.1-144.4153.7117.900111
470A29.8Very low31.3Very low84 Ų84125.9 Ų125.969%0.69476%0.756SS**  trans-138.8161.9168.700000108.4
471P45.9Very low30.9Very low120 Ų120129.5 Ų129.578%0.77976%0.762SS**  -159.3-170.58440-18.4000116.5
472A28.3Very low30.5Very low88 Ų88132.8 Ų132.873%0.72776%0.762SS**  trans76148.8137.400000121.5
473V29.7Very low30.2Very low121 Ų121140.4 Ų140.473%0.73377%0.774SS**  cis-167.2143.5-28.196.50000111
474L29.4Very low30.4Very low163 Ų163144.2 Ų144.285%0.85378%0.781SS**  trans58171.9159.3-64.4179.6000118.2
475S28.3Very low30.1Very low110 Ų110146.9 Ų146.977%0.76979%0.786SS**  cis-162.1152.1-28.7167.50000107.9
476G28Very low30.2Very low76 Ų76146.1 Ų146.178%0.78478%0.781SS**  trans-179.659.2-177.400000119.1
477N26.5Very low30Very low149 Ų149148.5 Ų148.580%0.79778%0.781SS**  trans-73.3131.2173.9-89.4-54.2000113.6
478K30.4Very low29.2Very low182 Ų182148.3 Ų148.379%0.79178%0.778SS**  172.1122.7117.7-90.8151.1-167.6167.20117.2
479K29.6Very low29Very low168 Ų168151.8 Ų151.873%0.7378%0.783SS**  53.4120.2128.1-61.7177.5-179177.70122.1
480K28.3Very low29.2Very low189 Ų189147.4 Ų147.482%0.82278%0.777SS**  63.9148.7128.2-55.9178.6-178.4-1760117
481K26.3Very low29.3Very low193 Ų193151.6 Ų151.684%0.83978%0.783SS**  cis-163.8158.831.1-153.6173.3-176.5179.50111.9
482K26.2Very low28.6Very low183 Ų183151 Ų15180%0.79678%0.777SS**  trans-22.8145.3168.2-52.3176.1178-175.80117.7
483R28.3Very low28.6Very low236 Ų236156.6 Ų156.689%0.89179%0.785SS**  -173.8154.6105-97167.695.2142.45.2113.3
484K34.2Very low28.8Very low203 Ų203161.8 Ų161.888%0.88379%0.791SS**  trans-81.1152.5164.3-66.7-178.6175.7-176.80110
485I26.5Very low29.1Very low153 Ų153158.7 Ų158.779%0.78578%0.783SS**  trans-161.5174147.2-106152.3000110.1
486L28.5Very low29.1Very low142 Ų142159.9 Ų159.974%0.74379%0.786SS**  trans-91174.4-162.7-49.380.7000114.6
487K24.5Very low29Very low173 Ų173162.2 Ų162.275%0.75279%0.79SS**  trans67.1127.9155.9-72.2-161167.4-167.80116.4
488T28.4Very low29.1Very low107 Ų107160.1 Ų160.166%0.65679%0.794SS**  64.49658.672.70000114.9
489E26Very low28.8Very low169 Ų169154.5 Ų154.579%0.7979%0.788SS**  trans173.5140.5141.3-91.6146.6-142.500105.5
490A30.5Very low28.7Very low86 Ų86156.1 Ų156.171%0.71180%0.798SS**  63134.962.400000111.8
491E31.7Very low28.9Very low173 Ų173151 Ų15181%0.80879%0.791SS**  cis-156.9164.311.2-138.6-168.9135.700114
492T31.8Very low28.9Very low107 Ų107148.4 Ų148.466%0.65679%0.791SS**  trans-1.1137.7152.2-51.20000120
493K28.3Very low29Very low206 Ų206148.3 Ų148.390%0.89679%0.794SS**  trans-151.1152.3143.8-110156-170.2174.20113.2
494R32.5Very low29.3Very low230 Ų230140.8 Ų140.887%0.86878%0.782SS**  trans-95.5-177.3164.2-56-176.1-179.7168.42.8107.9
495S35.5Very low29.1Very low98 Ų98139.7 Ų139.769%0.68578%0.777SS**  cis-169.7130.625.442.80000114.6
496T29.2Very low29.2Very low135 Ų135140.2 Ų140.283%0.82878%0.776SS**  trans33.1121.5134.360.60000123.2
497S26.5Very low29.1Very low124 Ų124139.7 Ų139.787%0.86778%0.779SS**  trans-175171.1135.254.10000110.3
498A27.9Very low29.2Very low106 Ų106134.1 Ų134.188%0.87677%0.771SS**  -173.9148.2-62.800000109.5
499G24.7Very low29.2Very low64 Ų64139.2 Ų139.266%0.6678%0.78SS**  trans122.5122.5-17800000111.8
500E27.3Very low29.5Very low202 Ų202138.2 Ų138.294%0.94478%0.78SS**  85.8133.959.6-77.2-176.213500113
501A31.4Very low29.6Very low81 Ų81142.7 Ų142.767%0.66979%0.786SS**  cis-158.1-151.8-3.800000112
502T25.9Very low29.7Very low139 Ų139138.2 Ų138.285%0.85378%0.779SS**  trans80.9162.2177.1730000118.5
503E29.3Very low29.7Very low181 Ų181138.4 Ų138.485%0.84679%0.785SS**  164.6148.3-58.2-178.4-179.3-168.400111.7
504A33.9Very low29.8Very low78 Ų78131.7 Ų131.765%0.64577%0.773SS**  trans79143.4158.700000124.3
505K30.5Very low30Very low180 Ų180127.2 Ų127.278%0.78377%0.767SS**  trans68.8148.2154.3-70.3165.5-177.6178.80117.6
506Q28.5Very low29.7Very low163 Ų163127.8 Ų127.876%0.76276%0.762SS**  cis77.5133.934.9-59.8168.9-89.100113.5
507T25.7Very low29.8Very low131 Ų131130.4 Ų130.480%0.80476%0.757SS**  cis-162.7176-0.87.40000107.7
508G27.1Very low29.9Very low57 Ų57130.5 Ų130.559%0.58875%0.753SS**  cis164.8-167.9600000110.6
509Y28.3Very low30.9Very low213 Ų213130.4 Ų130.484%0.83574%0.743SS**  trans79.6136170.6-57.7-81.3000120.8
510D31.9Very low31.3Very low148 Ų148136.4 Ų136.479%0.79175%0.751SS**  trans41.5124.5156.6-46.2-29.9000120.3
511E33.1Very low31.4Very low180 Ų180134.3 Ų134.384%0.84175%0.745SS**  cis-143.2-1674.5-137.1-139119.700108.8
512A34.4Very low31.5Very low79 Ų79138.7 Ų138.765%0.65375%0.749SS**  cis-151.9-179.314.200000113.8
513S32.1Very low31.8Very low112 Ų112137.8 Ų137.878%0.78374%0.743SS**  trans-66.9141.4176.2-1620000113.7
514G31Very low31.9Very low64 Ų64134.8 Ų134.866%0.6674%0.737SS**  cis106.1141.13.300000112.8
515D36.6Very low31.8Very low137 Ų137137.9 Ų137.973%0.73374%0.743SS**  cis-110.7-98.4-1.6-179.8-18.4000110.9R517D515-R517 PolarHBondContact OD1-N 3.18Å
516D28.4Very low31.9Very low110 Ų110133.4 Ų133.459%0.58874%0.74SS**  cis-134.592-10.5-155.680.8000112.7
517R32Very low31.9Very low190 Ų190129.9 Ų129.972%0.71774%0.739SS**  trans89.8154.7139.5-64.5175.4-146.6-163.17.8123.8D515D515-R517 PolarHBondContact OD1-N 3.18Å
518T28.2Very low32.1Very low126 Ų126129.9 Ų129.977%0.77374%0.739SS**  trans-149.7169.5179.568.40000108.4
519P48.5Very low32.2Very low103 Ų103132.4 Ų132.467%0.66975%0.747SS**  -160.515794.239.6-19.3000119.7
520K34.3Very low32.4Very low190 Ų190126.9 Ų126.983%0.82675%0.746SS**  trans48.3131.2133.5-59.9166.8-177.6165.40120.6
521L28.1Very low32.2Very low158 Ų158129.2 Ų129.283%0.82775%0.749SS**  -157.1124.882.9-131.187.4000116.7
522K33.4Very low32.1Very low174 Ų174129.9 Ų129.976%0.75775%0.749SS**  trans31.7122.9134.9-72.5-169.9172.3-172.20125.4
523T31.7Very low31.9Very low119 Ų119134.8 Ų134.873%0.7376%0.756SS**  54.5151125.965.80000121.6
524T31.7Very low31.6Very low118 Ų118133.9 Ų133.972%0.72475%0.749SS**  cis-150.2147.830.549.30000115.4
525D31.5Very low31.6Very low144 Ų144139.6 Ų139.677%0.7776%0.759SS**  18.8153.9129.3-62.3-75.5000123.7
526A33Very low31.4Very low85 Ų85142.4 Ų142.470%0.70277%0.765SS**  cis-172.6179.8-8.800000113.7
527A29.6Very low31.3Very low90 Ų90145.2 Ų145.274%0.74478%0.776SS**  trans78.6145.7154.500000120.3
528T30.4Very low31.3Very low131 Ų131144.7 Ų144.780%0.80478%0.779SS**  cis-158.9145.8-15.316.40000113.8
529S29Very low31.6Very low109 Ų109147.9 Ų147.976%0.76278%0.782SS**  trans47.3104141-59.40000125.8
530A31.4Very low30.6Very low98 Ų98149.6 Ų149.681%0.8179%0.791SS**  86.1154.8111.300000125.7
531K28.8Very low30.5Very low197 Ų197146.2 Ų146.286%0.85779%0.786SS**  trans84.292.2156.9-77.7-179.8178.9170.60123.6
532K30.2Very low30.6Very low194 Ų194145.3 Ų145.384%0.84379%0.787SS**  43.4121.6117.2-92.8175.1176.8164.30123.1
533K29.4Very low30.4Very low182 Ų182140 Ų14079%0.79178%0.782SS**  trans66.4107.9131-82.9-159170.4-170.10123
534S27.5Very low30.3Very low93 Ų93143.5 Ų143.565%0.6579%0.79SS**  74.2135.1109.1-570000123.9
535Q30.7Very low30.3Very low184 Ų184143 Ų14386%0.8679%0.792SS**  trans72.3122.4153.9-69.3172.2-15.200117.2
536K32.3Very low31.2Very low196 Ų196141.5 Ų141.585%0.85279%0.79SS**  cis94.9102.344.1-179.4-171.2176.7179.30112.5
537M26.4Very low32.2Very low169 Ų169143.2 Ų143.283%0.83379%0.794SS**  trans-151.2179.3157.5-105.5-60.3176.700112
538K30.5Very low32.3Very low178 Ų178143.1 Ų143.177%0.77479%0.793SS**  trans-84.9136.1-155.9-60.2162.5-177.5172.90116.2
539K36Very low32.7Very low193 Ų193141.2 Ų141.284%0.83979%0.79SS**  18.3117.7127.6-177.3-173.5179.4-179.30118.7
540T27Very low33Very low140 Ų140143.7 Ų143.786%0.85980%0.795SS**  trans-144.1169.414631.50000110.4
541V31.6Very low33.1Very low119 Ų119141.7 Ų141.772%0.72178%0.784SS**  trans-122.5148.6179.3-168.50000104.6
542T29.7Very low33.5Very low138 Ų138141.9 Ų141.985%0.84779%0.785SS**  -173.816456.1-36.60000109.6
543G29.1Very low33.8Very low64 Ų64138.8 Ų138.866%0.6678%0.777SS**  trans132.5106.2149.300000117.6
544E29.9Very low34Very low192 Ų192139.3 Ų139.390%0.89778%0.775SS**  trans40.3144.7136.5-61.2179141.700121.1
545S32.2Very low34.4Very low107 Ų107141.5 Ų141.575%0.74877%0.774SS**  cis-153.9-179.520.6-126.20000112.9
546P50Low34.6Very low112 Ų112142 Ų14273%0.72777%0.773SS**  trans-98.3-158.7-162.445.1-42.4000113
547P53.8Low34.3Very low121 Ų121136.8 Ų136.879%0.78678%0.775SS**  cis-131.7-1650.742.6-20.7000114.1
548A32.8Very low34.3Very low88 Ų88132.7 Ų132.773%0.72778%0.777SS**  cis-157.9159.516.700000115.9
549A38.3Very low34.2Very low91 Ų91134.1 Ų134.175%0.75279%0.786SS**  trans54.1139153.900000120.5
550N35.3Very low33.8Very low162 Ų162128.9 Ų128.987%0.86679%0.788SS**  cis-165171.5-2-117.3-34.9000108.3
551G34.2Very low33.9Very low56 Ų56127.6 Ų127.658%0.57779%0.791SS**  cis154.7137-8.500000113.6
552K37.3Very low33.6Very low200 Ų200125.7 Ų125.787%0.8780%0.795SS**  trans76.8144.1174.7-51.6174.3-177.1174.30116.1
553N35.6Very low33.5Very low129 Ų129124.8 Ų124.869%0.6979%0.794SS**  cis-158.3148.1-5.3-129.3-6.4000114
554R34.5Very low34.2Very low194 Ų194126.9 Ų126.973%0.73280%0.797SS**  trans21.8150139.6-60.8169.593.8163.47121.2
555H35.9Very low34.2Very low138 Ų138125.6 Ų125.664%0.63979%0.79SS**  cis-166.4160.57.7-118.7-10.1000113.7
556K33.4Very low34.1Very low194 Ų194127.2 Ų127.284%0.84379%0.789SS**  trans29.7116.7155.4-73.8-171.1171.3-173.80122.9
557G26.7Very low33.2Very low87 Ų87128 Ų12890%0.89779%0.792SS**  88.9154.896.300000121.6
558G27.2Very low32Very low84 Ų84127 Ų12787%0.86679%0.794SS**  trans126.4134.815900000117.3
559E28.2Very low31.8Very low207 Ų207126.7 Ų126.797%0.96780%0.8SS**  trans-88.1156.2157.5-66.3175101.900109.8
560G27.8Very low31.4Very low84 Ų84127.4 Ų127.487%0.86680%0.799SS**  trans178.1146172.900000113.6
561A28.7Very low31.1Very low113 Ų113127 Ų12793%0.93480%0.796SS**  trans-112.4147.6179.200000111.5
562G25.6Very low31Very low78 Ų78132.1 Ų132.180%0.80481%0.805SS**  trans170.6130173.100000114.9
563S27.8Very low30.7Very low119 Ų119133.3 Ų133.383%0.83280%0.804SS**  trans-100176.5153.6-56.60000107.6
564P43.6Very low30.4Very low109 Ų109135.7 Ų135.771%0.70881%0.813SS**  cis-144.3-165.911.645-25.5000116.1
565Q28.9Very low30.2Very low164 Ų164135.6 Ų135.677%0.76682%0.821SS**  trans74.9125.7156.6-74.3-170.7-21.400118.5
566I29.8Very low29.9Very low141 Ų141137.5 Ų137.572%0.72383%0.828SS**  67.1123.690.2-60.3173.5000111.2
567T31.3Very low29.8Very low128 Ų128138.9 Ų138.979%0.78583%0.828SS**  cis-150.2161.333.2-21.30000113.9
568A29.9Very low30Very low100 Ų100144.7 Ų144.783%0.82683%0.828SS**  trans53.3125.314600000122.4
569G27.3Very low29.9Very low82 Ų82147.7 Ų147.785%0.84582%0.817SS**  trans-179.2112.9167.900000112.9
570S29.7Very low29.6Very low107 Ų107148.1 Ų148.175%0.74881%0.81SS**  trans-63.1159.5-163.3-156.60000119
571L29.8Very low29.5Very low152 Ų152150.5 Ų150.580%0.79681%0.808SS**  trans63.9138.1161.2-68.4154.6000117.3
572Q32.2Very low29.3Very low165 Ų165153.8 Ų153.877%0.77180%0.801SS**  cis-160.1160.634.5-142.3179.855.900114.1
573R30.7Very low29.5Very low224 Ų224157.1 Ų157.185%0.84580%0.8SS**  trans62.8109.1151.7-152.4168.5-173.61650.3120.7
574M28.4Very low29.5Very low179 Ų179156.3 Ų156.388%0.88279%0.794SS**  trans-116.9158.9161.3-76.4-162-17600111.7
575Q32Very low29Very low193 Ų193155 Ų15590%0.90279%0.792SS**  trans-144.4136.1152.9-80.4-168.4-32.100111.3
576K28.5Very low29Very low177 Ų177154.7 Ų154.777%0.7780%0.796SS**  trans-166.594.8-176.2-165.3175.5-174.5174.70116.3
577R30.9Very low29Very low224 Ų224155.6 Ų155.685%0.84580%0.802SS**  trans66.3165.6154-53.8174.468.1-171.71.1119.2
578K31.5Very low28.7Very low209 Ų209152.9 Ų152.991%0.90980%0.8SS**  trans87.2163.4170.1-52.8171.1-177.6178.30115.9
579K25.4Very low28.5Very low147 Ų147151.9 Ų151.964%0.63980%0.799SS**  cis-177.9131.8-39.2-170.5-144.2179.8-161.90110
580W21.2Very low28.6Very low216 Ų216152.9 Ų152.982%0.81880%0.799SS**  trans78.9148.4148.6-105.917.4000124.2
581V26Very low28.6Very low134 Ų134156 Ų15681%0.81280%0.802SS**  trans90.9166.4150.5173.10000119.3
582K25.3Very low29.3Very low181 Ų181154 Ų15479%0.78780%0.798SS**  trans-143.8167.2-144.6167.1179.8174.3176.30112.4
583L28.8Very low29.3Very low149 Ų149153 Ų15378%0.7879%0.793SS**  trans108.5149166.2-62.9170000114.3
584S28.3Very low29.1Very low101 Ų101149.9 Ų149.971%0.70679%0.788SS**  cis-177156.7-33.7470000110.3
585A33.2Very low29Very low82 Ų82147.5 Ų147.568%0.67879%0.789SS**  trans75.3161.5172.200000118.7
586D29.6Very low29.1Very low157 Ų157143.7 Ų143.784%0.8479%0.791SS**  cis-166.5-169.6-38.7-77.2139.5000105.9
587D29.3Very low29.2Very low160 Ų160139 Ų13986%0.85679%0.793SS**  cis-163.1170.710.7-169.515000111.5
588G25.5Very low29.4Very low72 Ų72137.8 Ų137.874%0.74280%0.797SS**  trans25.9147.216400000125.7
589G25.7Very low29.6Very low79 Ų79132.3 Ų132.381%0.81479%0.79SS**  cis156.4136.2-9.100000114.9
590A27.7Very low30.2Very low102 Ų102133.2 Ų133.284%0.84380%0.797SS**  trans176.4157.4161.700000113.3
591E29.9Very low30.6Very low174 Ų174129 Ų12981%0.81379%0.789SS**  trans-129.9174.8-172.8-86.2-69.4129.900111
592P46.2Very low31Very low108 Ų108129.4 Ų129.470%0.70179%0.785SS**  cis-145.116824.844-24000121.6
593E30.2Very low31.8Very low144 Ų144125.3 Ų125.367%0.67378%0.78SS**  trans75.8125.3142.2-82.7-79.39300123.7
594Q27.1Very low31.7Very low160 Ų160125.3 Ų125.375%0.74879%0.786SS**  trans92.4137.7147.1-68.1-178.927.600124.7
595S26.7Very low31.9Very low128 Ų128125.3 Ų125.390%0.89579%0.792SS**  trans72.8128179.871.40000116.8
596A33.3Very low32Very low114 Ų114125.7 Ų125.794%0.94280%0.795SS**  trans-94.9149.9-161.400000114.7
597G31.6Very low32.1Very low78 Ų78125.1 Ų125.180%0.80479%0.792SS**  trans-131.3-162.8-169.300000116.6
598E35.8Very low32.1Very low199 Ų199121.9 Ų121.993%0.9378%0.778SS**  trans-99.8169.2-159.6-54.4174.3103.300116.3
599A34.5Very low32.4Very low93 Ų93127 Ų12777%0.76978%0.78SS**  trans99.1118.313900000123.1
600E37.5Very low32.7Very low166 Ų166132.2 Ų132.278%0.77678%0.781SS**  62.7122.4127.3-80.5-105.6104.200124.6
601L31.2Very low32.9Very low128 Ų128138.6 Ų138.667%0.6778%0.783SS**  trans96.3112.9138.5-59.9163.8000125
602I34.3Very low32.8Very low142 Ų142138.5 Ų138.573%0.72878%0.78SS**  81.7100.6129-61.3177.1000123.2
603S40.4Very low32Very low96 Ų96139.2 Ų139.267%0.67178%0.776SS**  trans42.2143.3132.483.70000126.1
604T28.2Very low31.6Very low149 Ų149138.3 Ų138.391%0.91478%0.781SS**  -176.2-172.8124.2230000112.7
605A32.5Very low31.6Very low100 Ų100136.3 Ų136.383%0.82678%0.779SS**  trans-155.1158-165.200000119.5
606A35.5Very low31.6Very low90 Ų90139.4 Ų139.474%0.74478%0.779SS**  trans84.5135.3147.600000124.5
607N30.4Very low31.2Very low145 Ų145143.2 Ų143.278%0.77578%0.775SS**  134.8126.9113.4-105.9-30.6000123.1
608T29.7Very low30.9Very low92 Ų92148 Ų14856%0.56478%0.776SS**  trans91.8132.8136.962.10000128.4
609K32.1Very low30.5Very low179 Ų179147.3 Ų147.378%0.77877%0.771SS**  trans82.8161.1143.8-67.3143.8-164.2147.70120.9
610K31.1Very low30Very low190 Ų190150.1 Ų150.183%0.82677%0.768SS**  cis171148.7-37.7-110.7-169.6179-168.80112.7
611R33.6Very low29.5Very low236 Ų236145.9 Ų145.989%0.89176%0.761SS**  trans92.2160.4164.3-58.8172.3-179.7177.9-0.2117.8
612K26.5Very low29.3Very low171 Ų171147.1 Ų147.174%0.74377%0.769SS**  cis-172.3136.1-26-107.9-159.4158.8-153.30113.5
613I29.6Very low29Very low123 Ų123148.2 Ų148.263%0.63177%0.771SS**  trans52.6124.1139-51.6176.8000122.7
614T22.5Very low28.5Very low126 Ų126150.6 Ų150.677%0.77378%0.775SS**  161.1137.3129.9-62.70000109.5
615V26.9Very low28.5Very low118 Ų118152.4 Ų152.472%0.71577%0.773SS**  cis107.6100.6-1.8-175.60000118.2
616E26.1Very low28.2Very low192 Ų192151.5 Ų151.590%0.89777%0.774SS**  trans-167.1-166.2145.4-111.2167.6-155.100112.2
617F24.8Very low27.8Very low195 Ų195152 Ų15286%0.85578%0.778SS**  trans-141.2-178.2-131.8-129.1-99.4000118.8
618E26.7Very low27.6Very low177 Ų177150 Ų15083%0.82778%0.781SS**  trans87119.5169-55.9-174.7158.400117.4
619F25.5Very low27.5Very low185 Ų185149.6 Ų149.681%0.81179%0.787SS**  92.8145.377.5-139.1-128.5000111.7
620E25.6Very low27.4Very low153 Ų153148.4 Ų148.472%0.71580%0.795SS**  cis-167.1149.433.5-177.4159.9-157.300114.3
621A26.3Very low27.2Very low76 Ų76142.7 Ų142.763%0.62879%0.79SS**  trans55.2166.2148.700000128.1
622D27.4Very low26.9Very low154 Ų154137.2 Ų137.282%0.82479%0.788SS**  trans65.6160160.2-64.9-3.9000123.3
623E28.2Very low27Very low165 Ų165136.9 Ų136.977%0.77179%0.793SS**  -165.6178.1-56.9-143.3-158.6-176.400109.9
624L29.9Very low26.9Very low146 Ų146136.1 Ų136.176%0.76480%0.798SS**  trans85.1159.1154.9-87.4164.8000123.1
625E26.9Very low27.1Very low188 Ų188133.9 Ų133.988%0.87979%0.792SS**  trans-102.5166.6-162.6-53.5178.2112.100114.6
626G27.4Very low27.1Very low81 Ų81135.3 Ų135.384%0.83580%0.801SS**  trans-160.3125.7162.400000112
627A27Very low27.2Very low100 Ų100135.1 Ų135.183%0.82680%0.798SS**  trans-134.4173.4-170.500000113.9
628A26.5Very low27.4Very low103 Ų103134 Ų13485%0.85180%0.801SS**  trans74.9161.1170.500000117.2
629A27.6Very low27.5Very low84 Ų84135 Ų13569%0.69480%0.802SS**  cis-174.9179.7-32.100000109.4
630V28.7Very low27.6Very low153 Ų153132.9 Ų132.993%0.92781%0.805SS**  trans75.6141.8165.5-170.30000114.4
631G27.1Very low27.8Very low71 Ų71134.8 Ų134.873%0.73281%0.811SS**  cis-161.9-170.15.100000114.9
632S27.3Very low27.8Very low121 Ų121140.5 Ų140.585%0.84682%0.821SS**  trans-124147.4-165.6177.80000113
633I29.1Very low27.8Very low164 Ų164137.5 Ų137.584%0.84181%0.813SS**  trans-139.1133.9163.6-45.2-179.4000112
634S27.1Very low27.7Very low106 Ų106138.1 Ų138.174%0.74181%0.813SS**  trans-69.5177.2169.951.20000114.6
635A26.6Very low27.6Very low80 Ų80137.4 Ų137.466%0.66181%0.806SS**  cis-171.5175.3-21.300000106.9
636T27Very low27.5Very low147 Ų147137.9 Ų137.990%0.90281%0.805SS**  168.8177.996.641.10000111.4
637K29.3Very low27.6Very low188 Ų188144.1 Ų144.182%0.81780%0.803SS**  trans-101164.2-168.3-56.3162.9-178.9167.30113.2
638N28.3Very low27.9Very low173 Ų173148 Ų14893%0.92580%0.804SS**  -167.1168.8120-97.8-29.6000115.2
639K28.9Very low28Very low196 Ų196154.1 Ų154.185%0.85281%0.805SS**  trans-131.8142.5-169.3-67.1-178.4175.8-177.20114.5
640T28.3Very low28.3Very low141 Ų141154.2 Ų154.287%0.86580%0.801SS**  trans-169.1133.2147.322.20000108.6
641K29Very low28.5Very low194 Ų194152.8 Ų152.884%0.84379%0.788SS**  cis100.8125.15.2-156.7176.8-174.9178.30116.6
642K27.2Very low28.7Very low195 Ų195158.2 Ų158.285%0.84879%0.792SS**  trans85152.3180-71.2-172.1177.4179.30117.1
643S25.8Very low29.1Very low92 Ų92159.5 Ų159.564%0.64379%0.788SS**  cis-178.6160.6-28.4570000112.4
644K27.7Very low29.4Very low177 Ų177156.1 Ų156.177%0.7778%0.778SS**  trans91.8153.9160.7-72.9179.3166-83.10118.4
645E26.5Very low29.9Very low132 Ų132161 Ų16162%0.61779%0.787SS**  cis164126.5-28.6166.2178.9-145.900108.3
646F26Very low30.4Very low198 Ų198164.8 Ų164.887%0.86879%0.791SS**  trans-161.3167.6145.8-136.1-101.4000113.4
647R29.1Very low30.9Very low212 Ų212170 Ų17080%0.879%0.794SS**  trans-138.8149.5-169.9-77.4171.2151.6-174.7-3.2113.1
648Q33.9Very low31.1Very low181 Ų181169.4 Ų169.485%0.84679%0.792SS**  trans176.7135.8142-98.8158.5900107.2
649R27.5Very low31.5Very low232 Ų232168.3 Ų168.388%0.87579%0.791SS**  cis61.1125.824.1-101.9-164.9-179.1179.80.4114.3
650S34.4Very low31.7Very low85 Ų85163.4 Ų163.459%0.59479%0.786SS**  cis-163.5-178.1-14.231.70000106.3
651D32.8Very low32.3Very low124 Ų124163 Ų16366%0.66378%0.784SS**  173.9157.954.1-111-53.3000111
652F30.4Very low33Very low184 Ų184159.2 Ų159.281%0.80778%0.779SS**  trans60163.6162.1-80-114.3000117.8
653I35.3Very low33.5Very low149 Ų149155.1 Ų155.176%0.76477%0.772SS**  cis-126.9158.318.3-67.9170.6000111.4
654S37Very low34.1Very low92 Ų92155.8 Ų155.864%0.64378%0.783SS**  trans-96.6161.3-179.761.50000114.9
655F36.8Very low34.7Very low208 Ų208154.9 Ų154.991%0.91279%0.786SS**  trans-141.5134.8158.9-92.8-75.3000112.3
656Q36.7Very low35Very low161 Ų161159.4 Ų159.475%0.75280%0.799SS**  trans-98.4141.7169.7-60.2-17916.800110.8
657R37.7Very low35.6Very low255 Ų255155.8 Ų155.896%0.96280%0.797SS**  trans-153.2152.3137.1-130.2170-179.4149.81.6112.5
658K34.1Very low35.7Very low177 Ų177154 Ų15477%0.7780%0.795SS**  trans-112.9135.1-168.7-49168.6-174.6175.80110.2
659V35.7Very low35.7Very low150 Ų150152.1 Ų152.191%0.90980%0.796SS**  trans-143.2143.2149.4-176.80000107.2
660A33.1Very low35.9Very low92 Ų92148.5 Ų148.576%0.7679%0.794SS**  trans-94.2156-171.600000113.8
661V41.2Very low35.6Very low133 Ų133148.4 Ų148.481%0.80681%0.807SS**  trans-107.5130.5166.3-179.60000108
662P44.7Very low35.5Very low114 Ų114148.2 Ų148.274%0.7482%0.815SS**PPolyproline II helixtrans-73.2134.8-179.928.6-33.7000111.8
663P38.2Very low36.1Very low110 Ų110145.4 Ų145.471%0.71482%0.815SS**PPolyproline II helixtrans-80.2150.1-179.332.6-35.4000112.6
664A37.9Very low35.8Very low106 Ų106142 Ų14288%0.87682%0.817SS**PPolyproline II helixtrans-79.1124.4172.900000111.1
665L40.2Very low35.5Very low158 Ų158144.4 Ų144.483%0.82783%0.828SS**  trans-106.1120.6174.7-66.3177000110.4
666Y31.6Very low35.8Very low227 Ų227139.9 Ų139.989%0.8982%0.819SS**  trans-117.296.9178.8-157.8-80.9000109.6
667C38.8Very low35.4Very low122 Ų122136.9 Ų136.982%0.82482%0.822SS**  trans-86.1144.5178.1-67.20000111.3
668K32.8Very low35Very low175 Ų175128.8 Ų128.876%0.76181%0.81SS**  trans-134126.7-172.8-178.2-176.9-178.3-177.70110.7
669T33.6Very low35Very low140 Ų140131.6 Ų131.686%0.85982%0.815SS**  trans-138.8147.717250.20000110.1
670N30.9Very low34.9Very low156 Ų156130 Ų13083%0.83481%0.807SS**  trans-124.2137.3175.6-81.85000109
671G28.3Very low35Very low84 Ų84135.1 Ų135.187%0.86681%0.812SS**  trans-177.4124.8173.800000111.7
672S31Very low34.7Very low120 Ų120139.5 Ų139.584%0.83981%0.813SS**  trans-114.8178.4178.3-140.90000108.4
673P42.1Very low34.1Very low125 Ų125141.5 Ų141.581%0.81281%0.813SS**  cis-136.5175.80.841.5-24.2000115.9
674G28.5Very low33.9Very low78 Ų78144.3 Ų144.380%0.80482%0.821SS**  trans143.7114.5160.100000117.3
675T32.1Very low33.6Very low141 Ų141145.3 Ų145.387%0.86582%0.816SS**  trans-84173.2169.77.40000111.3
676P42.3Very low33.6Very low113 Ų113143.8 Ų143.873%0.73482%0.816SS**  cis-140.2174.19.941.8-22.9000118.9
677A27.8Very low33.8Very low98 Ų98139.6 Ų139.681%0.8181%0.814SS**  trans65.7149.4149.200000121
678A31.1Very low33.8Very low85 Ų85140 Ų14070%0.70282%0.818SS**  cis-168.7164.9-21.500000111.4
679R34.1Very low34.1Very low236 Ų236139.5 Ų139.589%0.89182%0.819SS**  trans69.6152.4164.9-61.8172.576.4-1696.6117.9
680T32.7Very low34.5Very low118 Ų118138.8 Ų138.872%0.72482%0.819SS**  cis-173.6131.6-48.715.50000110.1
681K35.3Very low35.2Very low199 Ų199139.8 Ų139.887%0.86582%0.816SS**  trans158.9119.9148.4-89.5159.6-176.5-177.70108.7
682R33.8Very low36.3Very low224 Ų224145.2 Ų145.285%0.84582%0.816SS**  59.3131.285.8-72.4-167.8178.1-157.30.3113.1
683Q32Very low36.8Very low156 Ų156144.8 Ų144.873%0.72981%0.809SS**  cis-136.8156.328.8-63.5-84.149.800113.7
684L35.3Very low37.2Very low169 Ų169145 Ų14589%0.88581%0.808SS**  trans-156.4157.6154.3-117.9156.3000109.6
685T32.2Very low38.2Very low127 Ų127149.2 Ų149.278%0.77980%0.804SS**  trans-86.4159.5-165.7320000114.4
686P38.2Very low39.1Very low126 Ų126145.6 Ų145.682%0.81879%0.794SS**  trans-92.5142.2-162.135-35000115
687T36.1Very low40Very low139 Ų139146.5 Ų146.585%0.85379%0.793SS**  trans-104.3139.6158.448.60000109.8
688S38.6Very low41.7Very low130 Ų130151.2 Ų151.291%0.90980%0.795SS**  trans-86.2115.1-17752.70000112.2
689E39.1Very low42.9Very low165 Ų165154.9 Ų154.977%0.77180%0.803SS**  trans-125.5129.6175.1-170.2178.9-130.900109.7K691E689-K691 PolarHBondContact O-N 3.2Å
690S44Very low43.6Very low125 Ų125149.8 Ų149.887%0.87479%0.793SS**  trans-80.586.6-164.835.70000113.2K692S690-K692 PolarHBondContact O-N 3.17Å; S690-K692 VanDerWaalsContact O-N 3.16Å
691K45.4Very low44.7Very low177 Ų177153.8 Ų153.877%0.7780%0.8SS**  trans-69.2110.1178.1-70.6-175.7177.4179.20112.7E689 V693E689-K691 PolarHBondContact O-N 3.2Å; K691-V693 PolarHBondContact O-N 3.19Å
692K51.2Low45.4Very low198 Ų198150.5 Ų150.586%0.86180%0.797SS**  trans-60116.4169.6-164.5172.2-172.3173.60110.1S690S690-K692 PolarHBondContact O-N 3.17Å; S690-K692 VanDerWaalsContact O-N 3.16Å
693V41.8Very low46.1Very low112 Ų112144.2 Ų144.268%0.67979%0.793SS**  trans-98.7114.9-179.6178.70000110.1K691K691-V693 PolarHBondContact O-N 3.19Å
694T48.9Very low46.9Very low129 Ų129144.1 Ų144.179%0.79179%0.793SS**  trans-94.7103.5174.6430000111.1G696T694-G696 PolarHBondContact O-N 3.13Å
695F50Low47.3Very low167 Ų167145.4 Ų145.473%0.73279%0.791SS**  trans-83.498.2173.931.3-94.3000111L697F695-L697 HydrophobicContact CD2-CD1 4.06Å; F695-L697 PolarHBondContact O-N 3.33Å
696G50.4Low48.5Very low64 Ų64147.2 Ų147.266%0.6679%0.789SS**  trans-7898.1172.200000112T694 K698T694-G696 PolarHBondContact O-N 3.13Å; G696-K698 WeakPolarHBondContact O-CG 3.43Å; G696-K698 PolarHBondContact O-N 3.02Å; G696-K698 VanDerWaalsContact O-N 3.11Å
697L61.9Low49.3Very low133 Ų133150.3 Ų150.370%0.69679%0.789SS**  trans-75.294.4173.7-73.799.6000111F695 N699F695-L697 HydrophobicContact CD2-CD1 4.06Å; F695-L697 PolarHBondContact O-N 3.33Å; L697-N699 VanDerWaalsContact C-N 3.25Å; L697-N699 PolarHBondContact O-N 3.46Å
698K62.8Low50.1Low197 Ų197149 Ų14986%0.85778%0.781SS**THydrogen-bonded Turntrans-763.5-171.2-52-170.4-178-177.10116.3G696G696-K698 WeakPolarHBondContact O-CG 3.43Å; G696-K698 PolarHBondContact O-N 3.02Å; G696-K698 VanDerWaalsContact O-N 3.11Å
699N56.3Low50.4Low162 Ų162149 Ų14987%0.86677%0.771SS**THydrogen-bonded Turntrans-145.550.5-175.8-90.3-31.7000111.2L697 K701L697-N699 VanDerWaalsContact C-N 3.25Å; L697-N699 PolarHBondContact O-N 3.46Å; N699-K701 PolarHBondContact O-N 3.23Å
700N49.5Very low50.9Low129 Ų129151 Ų15169%0.6977%0.772SS**  trans-79.986.6179.4-161.78.5000110.9T702N700-T702 PolarHBondContact O-N 3.16Å
701K55.7Low51.2Low201 Ų201149.6 Ų149.687%0.87476%0.762SS**  trans-75.2108166-86.4-167.8172.5-172.80108.9N699 A703N699-K701 PolarHBondContact O-N 3.23Å; K701-A703 PolarHBondContact O-N 3.41Å
702T50.5Low51.2Low131 Ų131148.4 Ų148.480%0.80476%0.763SS**  trans-60.4104.8168.710.70000109.9N700N700-T702 PolarHBondContact O-N 3.16Å
703A47.4Very low51Low92 Ų92146.2 Ų146.276%0.7676%0.76SS**  trans-75.1124.1162.900000108.2K701 F705K701-A703 PolarHBondContact O-N 3.41Å; A703-F705 PolarHBondContact O-N 3.27Å
704E49.6Very low51.1Low153 Ų153147.4 Ų147.472%0.71576%0.761SS**  trans-56.6133.5-179.5-66.2156.5-137.100111.6K706E704-K706 VanDerWaalsContact C-N 3.27Å; E704-K706 PolarHBondContact O-N 2.89Å; E704-K706 VanDerWaalsContact OE2-CE 3.3Å; E704-K706 WeakPolarHBondContact OE2-CE 3.3Å; E704-K706 IonicContact OE2-NZ 3.62Å
705F44.4Very low51.1Low196 Ų196146 Ų14686%0.8676%0.757SS**  trans-77.771.9-173.1-148.9-90.6000112A703 K707A703-F705 PolarHBondContact O-N 3.27Å; F705-K707 VanDerWaalsContact C-N 3.33Å; F705-K707 PolarHBondContact O-N 3.28Å
706K55.6Low51.1Low166 Ų166142.5 Ų142.572%0.72275%0.751SS**  trans-73.481.2-177.4-72.9-174.2178.1173.90112.5E704 T708E704-K706 VanDerWaalsContact C-N 3.27Å; E704-K706 PolarHBondContact O-N 2.89Å; E704-K706 VanDerWaalsContact OE2-CE 3.3Å; E704-K706 WeakPolarHBondContact OE2-CE 3.3Å; E704-K706 IonicContact OE2-NZ 3.62Å; K706-T708 PolarHBondContact O-N 2.96Å
707K56Low50.7Low190 Ų190148.5 Ų148.583%0.82676%0.762SS**  trans24.877.5156.4-64.8-172176.3-173.80115.5F705 D709F705-K707 VanDerWaalsContact C-N 3.33Å; F705-K707 PolarHBondContact O-N 3.28Å; K707-D709 PolarHBondContact O-N 3.35Å
708T53Low50.5Low112 Ų112144.8 Ų144.869%0.68776%0.756SS**  trans-83.722.1163.452.10000112.7K706 R710 S711K706-T708 PolarHBondContact O-N 2.96Å; T708-R710 VanDerWaalsContact C-N 3.31Å; T708-R710 PolarHBondContact O-N 2.99Å; T708-S711 PolarHBondContact O-OG 2.96Å
709D45.4Very low50Low130 Ų130144.5 Ų144.570%0.69576%0.763SS**THydrogen-bonded Turntrans-9745.3-176-161.122.2000112K707K707-D709 PolarHBondContact O-N 3.35Å
710R48.8Very low49.9Very low208 Ų208140.6 Ų140.679%0.78575%0.748SS**THydrogen-bonded Turntrans-140.6-2.8176-91.8-170.3171.5177.5-3.9114.1T708T708-R710 VanDerWaalsContact C-N 3.31Å; T708-R710 PolarHBondContact O-N 2.99Å
711S50.1Low50.1Low95 Ų95144.5 Ų144.566%0.66475%0.753SS**SBendtrans-89.9-9.9177.952.10000114.5T708T708-S711 PolarHBondContact O-OG 2.96Å
712L46.2Very low50.2Low151 Ų151141.1 Ų141.179%0.79175%0.749SS**SBendtrans-89.5-22.3173.5-71.2172.5000113.2
713L46.1Very low50.4Low152 Ų152140.2 Ų140.280%0.79675%0.746SS**SBendtrans-94.813.9-179.8-69.7173000114.1
714L45.4Very low50.9Low137 Ų137144.5 Ų144.572%0.71775%0.747SS**  trans-133.257.6179.1-71.2176.1000111.9P716L714-P716 WeakPolarHBondContact O-CD 3.25Å
715S47.8Very low51.6Low100 Ų100140.6 Ų140.670%0.69973%0.731SS**  trans-76.8121.5153.5-71.70000108.3E717S715-E717 PolarHBondContact O-N 3.41Å
716P49.4Very low52.5Low94 Ų94136.3 Ų136.361%0.6172%0.723SS**  trans-70.8101.7178.7-19.433.4000111.2L714L714-P716 WeakPolarHBondContact O-CD 3.25Å
717E43.4Very low52.7Low189 Ų189136.4 Ų136.488%0.88373%0.726SS**  trans-80140167.4-62.7-168.3124.200110.1S715S715-E717 PolarHBondContact O-N 3.41Å
718G57.6Low53.1Low56 Ų56134.7 Ų134.758%0.57772%0.721SS**SBendtrans98.2-161.7-176.500000115.3S720 R721G718-S720 PolarHBondContact O-N 2.92Å; G718-R721 PolarHBondContact O-N 2.81Å
719L51.5Low53.8Low191 Ų191138 Ų138100%173%0.726SS**THydrogen-bonded Turntrans-74.54.3-156.9-67.5167.6000116.2
720S53.5Low54.6Low80 Ų80137 Ų13756%0.55973%0.727SS**THydrogen-bonded Turntrans-89.9-4.2176.958.20000114.1G718 V722G718-S720 PolarHBondContact O-N 2.92Å; S720-V722 PolarHBondContact O-N 3.23Å
721R55.4Low55.2Low211 Ų211136.4 Ų136.480%0.79673%0.73SS**  trans-70.392-179.9-173.7174.5-178.1148.3-0.1112G718 P723G718-R721 PolarHBondContact O-N 2.81Å; R721-P723 VanDerWaalsContact O-CD 3.32Å; R721-P723 WeakPolarHBondContact O-CD 3.08Å
722V56.3Low55.7Low130 Ų130140.8 Ų140.879%0.78874%0.737SS**  trans-54.1119.8172.8-178.30000110.2S720S720-V722 PolarHBondContact O-N 3.23Å
723P55.5Low56.1Low112 Ų112136.8 Ų136.873%0.72773%0.732SS**  trans-65.4139.9177-22.434.6000111.8R721 D725R721-P723 VanDerWaalsContact O-CD 3.32Å; R721-P723 WeakPolarHBondContact O-CD 3.08Å; P723-D725 PolarHBondContact O-N 3.19Å; P723-D725 VanDerWaalsContact O-N 3.12Å
724F57.1Low56.5Low182 Ų182136.8 Ų136.880%0.79874%0.738SS**  trans-71.7104.2173.3176.8-98000109.9P726F724-P726 HydrophobicContact CE1-CB 4.29Å; F724-P726 VanDerWaalsContact O-CD 3.31Å; F724-P726 WeakPolarHBondContact O-CD 3.19Å
725D65.5Low56.2Low70 Ų70137.8 Ų137.837%0.37474%0.744SS.*  trans-78.3111.3173.1177.22.1000110.3P723 Q727 Q728P723-D725 PolarHBondContact O-N 3.19Å; P723-D725 VanDerWaalsContact O-N 3.12Å; D725-Q727 PolarHBondContact O-N 3.32Å; D725-Q727 VanDerWaalsContact O-N 3.09Å; D725-Q727 WeakPolarHBondContact OD1-CB 3.21Å; D725-Q727 PolarHBondContact OD1-N 3.23Å; D725-Q728 HydrophobicContact CB-CG 4.32Å; D725-Q728 PolarHBondContact O-N 2.73Å; D725-Q728 VanDerWaalsContact O-N 3.15Å
726P62.3Low56.2Low106 Ų106143.5 Ų143.569%0.68876%0.756SS**THydrogen-bonded Turntrans-68.7-6.2-178.431-36.8000113.9F724F724-P726 HydrophobicContact CE1-CB 4.29Å; F724-P726 VanDerWaalsContact O-CD 3.31Å; F724-P726 WeakPolarHBondContact O-CD 3.19Å
727Q61Low55.9Low169 Ų169144 Ų14479%0.7976%0.762SS**THydrogen-bonded Turntrans-89.3-21.4174.4-53.6-162.732.900112.8D725 K729D725-Q727 PolarHBondContact O-N 3.32Å; D725-Q727 VanDerWaalsContact O-N 3.09Å; D725-Q727 WeakPolarHBondContact OD1-CB 3.21Å; D725-Q727 PolarHBondContact OD1-N 3.23Å; Q727-K729 PolarHBondContact O-N 2.82Å
728Q63.7Low55.7Low153 Ų153140.2 Ų140.272%0.71575%0.754SS**  trans-76.8106.8174.5-73.6-163.337.900111.7D725D725-Q728 HydrophobicContact CB-CG 4.32Å; D725-Q728 PolarHBondContact O-N 2.73Å; D725-Q728 VanDerWaalsContact O-N 3.15Å
729K66.8Low54.8Low182 Ų182143.8 Ų143.879%0.79177%0.766SS**  trans-87.7135.5169.3-66.6176.6-177.4172.60109.9Q727 K731Q727-K729 PolarHBondContact O-N 2.82Å; K729-K731 PolarHBondContact O-N 3.22Å
730P63.5Low54.1Low109 Ų109141 Ų14171%0.70876%0.757SS**  trans-60.9136.5176.325.7-33.9000110.3F732P730-F732 PolarHBondContact O-N 2.84Å; P730-F732 VanDerWaalsContact O-N 3.1Å
731K61Low53.2Low196 Ų196143.8 Ų143.885%0.85277%0.771SS**SBendtrans-65.4-15.8-171-66.8180179.5175.40114.2K729K729-K731 PolarHBondContact O-N 3.22Å
732F59.9Low52.1Low186 Ų186138.4 Ų138.482%0.81677%0.772SS**SBendtrans-136.4134174.1-59.5-76.9000110.1P730P730-F732 PolarHBondContact O-N 2.84Å; P730-F732 VanDerWaalsContact O-N 3.1Å
733G54.3Low50.9Low67 Ų67137.7 Ų137.769%0.69177%0.773SS**  trans-88.5143.8177.100000112.3L735G733-L735 PolarHBondContact O-N 3.48Å
734V54.6Low49.8Very low152 Ų152138.7 Ų138.792%0.92178%0.777SS**SBendtrans-74.66.9-176.5-174.40000113.1
735L40.4Very low48.5Very low159 Ų159133.5 Ų133.583%0.83278%0.775SS**SBendtrans-128.1127.3-180-67.1173.2000110.8G733 S737G733-L735 PolarHBondContact O-N 3.48Å; L735-S737 PolarHBondContact O-N 3.28Å
736K48.3Very low46.8Very low220 Ų220136.3 Ų136.396%0.95780%0.8SS**  trans-71.8105.3176.3-66.8-178.8179.2179.50110.2
737S41.3Very low45.3Very low105 Ų105142 Ų14273%0.73481%0.808SS**  trans-78.1146.5167.956.70000111.4L735L735-S737 PolarHBondContact O-N 3.28Å
738P40.1Very low43.8Very low109 Ų109142.9 Ų142.971%0.70881%0.809SS**  trans-64.9157.717329.4-35.3000111.8T740P738-T740 PolarHBondContact O-N 2.92Å
739P39.8Very low42.2Very low130 Ų130141.3 Ų141.384%0.84481%0.81SS**  trans-74.9115.6-171.929.1-34.6000112.6
740T34.9Very low40.4Very low133 Ų133137.5 Ų137.582%0.81681%0.806SS**  trans-93.7116.9166-47.60000109.2P738P738-T740 PolarHBondContact O-N 2.92Å
741T35.1Very low38.9Very low139 Ų139141.6 Ų141.685%0.85381%0.813SS**  trans-69.2132172.9500000111
742A31.9Very low37.5Very low98 Ų98141.6 Ų141.681%0.8181%0.813SS**  trans-138.8132.8173.800000111.1
743S32.2Very low36.3Very low115 Ų115138.6 Ų138.680%0.80481%0.81SS**  trans-162170.3141.3-155.40000111.8
744T32.1Very low35.6Very low132 Ų132141.3 Ų141.381%0.8182%0.816SS**  trans-53.1163.2-178.849.70000115.4
745G30.3Very low34.5Very low74 Ų74141 Ų14176%0.76381%0.809SS**  cis116.695.86.300000112.6
746S30.3Very low34Very low128 Ų128143.6 Ų143.690%0.89581%0.814SS**  trans-152.8175.5175-167.20000112.1
747R30.2Very low33.2Very low225 Ų225136.9 Ų136.985%0.84979%0.794SS**  trans-111.3163.9-166.4-73.7176167.1156.1-6114.4
748K30.2Very low32.8Very low189 Ų189140.9 Ų140.982%0.82280%0.798SS**  trans88150.9145.1-89.7178.7177.3-176.10120.9
749T29.8Very low32.4Very low119 Ų119144.2 Ų144.273%0.7380%0.802SS**  trans63.591.2152.5460000121.3
750S29.2Very low32Very low103 Ų103144.3 Ų144.372%0.7280%0.8SS**  38141.8113.366.90000123
751K31.9Very low31.8Very low194 Ų194142 Ų14284%0.84380%0.802SS**  trans94.4135.8146.8-93.1177.8178.1172.40120
752K30.9Very low31.9Very low197 Ų197140.6 Ų140.686%0.85780%0.799SS**  trans76.1123.2157.2-71.1-174.5173.3-173.90119.5
753T34.3Very low32.1Very low123 Ų123145.5 Ų145.576%0.75580%0.802SS**  trans-67.6168150.447.20000110.7
754P39.3Very low32.1Very low124 Ų124145.3 Ų145.381%0.80580%0.801SS**  -131.2161.2107.537.6-31.7000113.8
755N32.2Very low32.2Very low145 Ų145147.3 Ų147.378%0.77581%0.805SS**  trans-78.5149168.1-67.4-28000110.6
756F30.8Very low32.7Very low213 Ų213149.3 Ų149.393%0.93481%0.805SS**  trans-140.7159141.3-122.7-87.9000110.2
757S31.6Very low32.9Very low79 Ų79150.8 Ų150.855%0.55280%0.803SS**  trans-129.5155.3-155.275.20000114.9
758K32.6Very low33.3Very low189 Ų189145.8 Ų145.882%0.82280%0.798SS**  trans72.5153.6167.4-59.2163.5-177.9169.60113.1
759K30.5Very low33.8Very low180 Ų180142.9 Ų142.978%0.78380%0.798SS**  cis-152.6149.16.6-141175.8-179.1-173.20110.9
760T32.4Very low34.7Very low131 Ų131146.6 Ų146.680%0.80480%0.804SS**  trans34115.5150.449.60000120.8
761G30.4Very low35.8Very low84 Ų84150.1 Ų150.187%0.86680%0.801SS**  trans-170112.215900000112
762S36.2Very low36.5Very low111 Ų111151.7 Ų151.778%0.77680%0.802SS**  trans-100.2124.6-178.146.30000112.2
763K36Very low37.2Very low200 Ų200146.5 Ų146.587%0.8779%0.788SS**  trans-174.7133.5150.4-101.5145.5-170.1178.50112.6
764S32.7Very low38Very low112 Ų112142 Ų14278%0.78376%0.762SS**  trans25.5111.5154.8570000120.3
765L34.3Very low38.4Very low173 Ų173136.4 Ų136.491%0.90673%0.727SS**PPolyproline II helixtrans-74139154-74.5166000110.4
766P41.9Very low39.3Very low117 Ų117130.7 Ų130.776%0.7670%0.699SS**PPolyproline II helixtrans-74.3153.1169.131.4-33.9000111.6T768P766-T768 PolarHBondContact O-N 2.65Å
767N34.3Very low40.6Very low159 Ų159124.6 Ų124.685%0.8568%0.677SS**PPolyproline II helixtrans-55133-175.1-76.3-64.4000113.7
768T39Very low41.6Very low120 Ų120127.2 Ų127.274%0.73668%0.678SS**PPolyproline II helixtrans-67.1144153.849.90000109.4P766 K770P766-T768 PolarHBondContact O-N 2.65Å; T768-K770 PolarHBondContact O-N 2.76Å; T768-K770 VanDerWaalsContact O-N 3.15Å
769P39.3Very low42.2Very low127 Ų127121.3 Ų121.383%0.82565%0.652SS**PPolyproline II helixtrans-66.2118177.926.3-33000109.6R771P769-R771 PolarHBondContact O-N 3.26Å; P769-R771 VanDerWaalsContact O-N 3.11Å
770K48.9Very low42.8Very low198 Ų198118.4 Ų118.486%0.86165%0.646SS**PPolyproline II helixtrans-53.5119.9175.9-70.3-176.6178.1-179.10109.4T768 R772T768-K770 PolarHBondContact O-N 2.76Å; T768-K770 VanDerWaalsContact O-N 3.15Å; K770-R772 PolarHBondContact O-N 2.79Å
771R52.7Low43.3Very low177 Ų177117.7 Ų117.767%0.66864%0.638SS**PPolyproline II helixtrans-49123.2169.4172.4177.4172.1-88.59.5107.9P769 D777P769-R771 PolarHBondContact O-N 3.26Å; P769-R771 VanDerWaalsContact O-N 3.11Å; R771-D777 IonicContact CZ-OD2 3.57Å; R771-D777 IonicContact NH1-OD1 3.51Å; R771-D777 PolarHBondContact NH1-OD1 2.85Å; R771-D777 IonicContact NH1-OD2 2.71Å; R771-D777 PolarHBondContact NH1-OD2 3.2Å; R771-D777 IonicContact NH2-OD1 3.62Å
772R45.6Very low44.1Very low226 Ų226119.6 Ų119.685%0.85363%0.625SS**PPolyproline II helixtrans-54.3135.5173.4-71.9-174177.9-173-0.5108.5K770 S774K770-R772 PolarHBondContact O-N 2.79Å; R772-S774 PolarHBondContact O-N 2.94Å
773P46.9Very low44.5Very low88 Ų88120.1 Ų120.157%0.57162%0.616SS**PPolyproline II helixtrans-58.4128.3178.924.5-33.3000109.5D777 F778P773-D777 WeakPolarHBondContact CA-OD2 3.29Å; P773-D777 HydrophobicContact CB-CB 4.49Å; P773-F778 HydrophobicContact CB-CE2 3.97Å; P773-F778 HydrophobicContact CB-CZ 4.47Å; P773-F778 HydrophobicContact CG-CE2 4.28Å; P773-F778 HydrophobicContact CG-CZ 4.47Å
774S49.8Very low45.1Very low28 Ų28115.1 Ų115.120%0.19660%0.6CS.*PPolyproline II helixtrans-70.5155.2170.8-175.20000109.2R772 A776 D777 F778R772-S774 PolarHBondContact O-N 2.94Å; S774-A776 PolarHBondContact O-N 2.89Å; S774-A776 PolarHBondContact OG-N 3.38Å; S774-D777 WeakPolarHBondContact CB-OD1 3.37Å; S774-D777 PolarHBondContact N-OD2 2.72Å; S774-D777 WeakPolarHBondContact O-CB 3.06Å; S774-D777 PolarHBondContact O-N 2.88Å; S774-F778 WeakPolarHBondContact O-CD2 3.33Å
775A49Very low45.9Very low8 Ų8115.3 Ų115.37%0.06659%0.588CS.*G310 helixtrans-58-29.7167.600000111.8A17 Y60 M64 D777 F778 F779A17-A775 HydrophobicContact CB-CB 4.01Å; Y60-A775 HydrophobicContact CD1-CB 3.75Å; Y60-A775 HydrophobicContact CE1-CB 4.36Å; Y60-A775 HydrophobicContact CG-CB 3.99Å; M64-A775 HydrophobicContact CE-CB 3.5Å; A775-D777 PolarHBondContact O-N 2.98Å; A775-F778 PolarHBondContact O-N 2.61Å; A775-F779 WeakPolarHBondContact O-CD2 3.16Å; A775-F779 WeakPolarHBondContact O-CE2 3.39Å
776A50.3Low46.7Very low25 Ų25111.1 Ų111.121%0.20757%0.565CS.*G310 helixtrans-63.8-20.8172.200000114.1Q14 S774 F778Q14-A776 HydrophobicContact CB-CB 4.27Å; Q14-A776 HydrophobicContact CG-CB 4.49Å; S774-A776 PolarHBondContact O-N 2.89Å; S774-A776 PolarHBondContact OG-N 3.38Å; A776-F778 PolarHBondContact O-N 2.84Å
777D57.9Low47.1Very low85 Ų85110.7 Ų110.746%0.45555%0.55SS.*G310 helixtrans-84.23.3178.8-47.4-17000111.5R771 P773 S774 A775R771-D777 IonicContact CZ-OD2 3.57Å; R771-D777 IonicContact NH1-OD1 3.51Å; R771-D777 PolarHBondContact NH1-OD1 2.85Å; R771-D777 IonicContact NH1-OD2 2.71Å; R771-D777 PolarHBondContact NH1-OD2 3.2Å; R771-D777 IonicContact NH2-OD1 3.62Å; P773-D777 WeakPolarHBondContact CA-OD2 3.29Å; P773-D777 HydrophobicContact CB-CB 4.49Å; S774-D777 WeakPolarHBondContact CB-OD1 3.37Å; S774-D777 PolarHBondContact N-OD2 2.72Å; S774-D777 WeakPolarHBondContact O-CB 3.06Å; S774-D777 PolarHBondContact O-N 2.88Å; A775-D777 PolarHBondContact O-N 2.98Å
778F52.5Low48.2Very low133 Ų133106.7 Ų106.758%0.58353%0.525SS*.G310 helixtrans-111.521.2175.3-68.2-95000113.1K56 P773 S774 A775 A776K56-F778 PolarHBondContact NZ-O 2.72Å; P773-F778 HydrophobicContact CB-CE2 3.97Å; P773-F778 HydrophobicContact CB-CZ 4.47Å; P773-F778 HydrophobicContact CG-CE2 4.28Å; P773-F778 HydrophobicContact CG-CZ 4.47Å; S774-F778 WeakPolarHBondContact O-CD2 3.33Å; A775-F778 PolarHBondContact O-N 2.61Å; A776-F778 PolarHBondContact O-N 2.84Å
779F45.9Very low49Very low65 Ų65105.5 Ų105.529%0.28551%0.506SS..  trans-126.70-178.1-76.2-92.6000113.3I10 A13 Q14 A17 K56 Y60 A775I10-F779 HydrophobicContact CG2-CB 4.36Å; A13-F779 HydrophobicContact CB-CD1 3.96Å; A13-F779 HydrophobicContact CB-CE1 3.62Å; A13-F779 HydrophobicContact CB-CZ 4.26Å; Q14-F779 HydrophobicContact CG-CB 3.58Å; Q14-F779 HydrophobicContact CG-CD2 4.39Å; Q14-F779 HydrophobicContact CG-CG 4.13Å; Q14-F779 PolarHBondContact NE2-O 2.93Å; A17-F779 HydrophobicContact CB-CE2 3.71Å; A17-F779 HydrophobicContact CB-CZ 4.3Å; K56-F779 HydrophobicContact CB-CE1 3.9Å; K56-F779 HydrophobicContact CB-CZ 4.21Å; K56-F779 HydrophobicContact CD-CD1 4.12Å; K56-F779 HydrophobicContact CD-CE1 3.56Å; K56-F779 HydrophobicContact CD-CZ 3.95Å; K56-F779 HydrophobicContact CG-CE1 3.6Å; K56-F779 HydrophobicContact CG-CZ 3.64Å; Y60-F779 HydrophobicContact CD2-CE2 4.13Å; Y60-F779 AromaticContact CD2-CZ 4Å; Y60-F779 HydrophobicContact CD2-CZ 4Å; A775-F779 WeakPolarHBondContact O-CD2 3.16Å; A775-F779 WeakPolarHBondContact O-CE2 3.39Å

Retrieved 779 of 779 residues in 395.4 ms (Link to these results)

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