A0A087YNE1_POEFO Loading...

Geranylgeranyl pyrophosphate synthase

AlphaFold DB , UniProt , Accession A0A087YNE1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 315 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
1M39.9Very low59.1Low246 Ų246102.2 Ų102.2100%1.21258%0.584SS**  0127.60-72.8-176.2176.900106.6G3M1-G3 PolarHBondContact O-N 3.41Å
2D38.4Very low61.9Low117 Ų117102.7 Ų102.763%0.62658%0.581SS**  trans-72.7117.3-166.5-169.4-18.3000111.3S4 S5D2-S4 PolarHBondContact O-N 3.46Å; D2-S4 VanDerWaalsContact O-N 3.1Å; D2-S4 PolarHBondContact OD1-N 3.39Å; D2-S4 PolarHBondContact OD1-OG 3Å; D2-S4 PolarHBondContact OD2-OG 3.23Å; D2-S5 PolarHBondContact O-N 2.96Å; D2-S5 PolarHBondContact O-OG 3.34Å
3G44.9Very low64.5Low52 Ų5298.8 Ų98.854%0.53656%0.558SS.*THydrogen-bonded Turntrans-67.4-1.9-176.800000115M1 S5M1-G3 PolarHBondContact O-N 3.41Å; G3-S5 VanDerWaalsContact C-N 3.33Å
4S46.8Very low66.9Low84 Ų8493.7 Ų93.759%0.58753%0.528SS*.THydrogen-bonded Turntrans-77.8-14.4172.760.60000114.1D2D2-S4 PolarHBondContact O-N 3.46Å; D2-S4 VanDerWaalsContact O-N 3.1Å; D2-S4 PolarHBondContact OD1-N 3.39Å; D2-S4 PolarHBondContact OD1-OG 3Å; D2-S4 PolarHBondContact OD2-OG 3.23Å
5S48.7Very low68.9Low74 Ų7493.6 Ų93.652%0.51752%0.522SS..SBendtrans-92-25.7-175.661.50000115D2 G3 S9D2-S5 PolarHBondContact O-N 2.96Å; D2-S5 PolarHBondContact O-OG 3.34Å; G3-S5 VanDerWaalsContact C-N 3.33Å; S5-S9 PolarHBondContact O-N 2.8Å
6Q52.2Low70.7Confident130 Ų13088.1 Ų88.161%0.60749%0.491SS*.Hα-helixtrans-59.9-44.6177.9-97.9171.9-3400114.2A8 S9 D10Q6-A8 VanDerWaalsContact C-N 3.3Å; Q6-A8 PolarHBondContact O-N 2.88Å; Q6-S9 PolarHBondContact O-N 3.03Å; Q6-D10 PolarHBondContact O-N 2.9Å
7P60.9Low72.2Confident85 Ų8584.2 Ų84.255%0.55247%0.467SS*.Hα-helixtrans-65.7-32.4-175.8-17.829000113.3R11P7-R11 WeakPolarHBondContact O-CB 3.45Å; P7-R11 PolarHBondContact O-N 3.17Å
8A61.5Low73.6Confident52 Ų5285.1 Ų85.143%0.4347%0.466SS..Hα-helixtrans-75.1-36.5178.500000111.8Q6 I12Q6-A8 VanDerWaalsContact C-N 3.3Å; Q6-A8 PolarHBondContact O-N 2.88Å; A8-I12 WeakPolarHBondContact O-CG1 3.32Å; A8-I12 PolarHBondContact O-N 3.43Å
9S78.5Confident74.8Confident60 Ų6082.2 Ų82.242%0.4245%0.447SS..Hα-helixtrans-65.7-49.3174.9-175.30000111.2S5 Q6 R11 I12 L13S5-S9 PolarHBondContact O-N 2.8Å; Q6-S9 PolarHBondContact O-N 3.03Å; S9-R11 PolarHBondContact O-N 3.27Å; S9-I12 WeakPolarHBondContact O-CB 3.42Å; S9-I12 PolarHBondContact O-N 3.07Å; S9-L13 WeakPolarHBondContact O-CG 3.27Å; S9-L13 PolarHBondContact O-N 3.4Å
10D86.8Confident75.8Confident58 Ų5878.2 Ų78.231%0.3143%0.426SS..Hα-helixtrans-65-31.3-178.8-70-0.7000112.1Q6 I12 L13 L14 Y95Q6-D10 PolarHBondContact O-N 2.9Å; D10-I12 VanDerWaalsContact C-N 3.31Å; D10-I12 PolarHBondContact O-N 2.86Å; D10-L13 PolarHBondContact O-N 3.15Å; D10-L14 VanDerWaalsContact O-CB 3.27Å; D10-L14 WeakPolarHBondContact O-CB 3.43Å; D10-L14 WeakPolarHBondContact O-CG 3.34Å; D10-L14 PolarHBondContact O-N 3.06Å; D10-Y95 PolarHBondContact OD1-OH 3.41Å
11R91.1Very high76.5Confident166 Ų16678.6 Ų78.663%0.62643%0.427SS*.Hα-helixtrans-59.4-42.9172.9-173-178.669.6167.62.3111.8P7 S9 E15P7-R11 WeakPolarHBondContact O-CB 3.45Å; P7-R11 PolarHBondContact O-N 3.17Å; S9-R11 PolarHBondContact O-N 3.27Å; R11-E15 PolarHBondContact O-N 3.06Å
12I93.6Very high79Confident108 Ų10874 Ų7455%0.55440%0.403SS*.Hα-helixtrans-68.8-46.9179-64.3166.7000109.9A8 S9 D10 L14 E15A8-I12 WeakPolarHBondContact O-CG1 3.32Å; A8-I12 PolarHBondContact O-N 3.43Å; S9-I12 WeakPolarHBondContact O-CB 3.42Å; S9-I12 PolarHBondContact O-N 3.07Å; D10-I12 VanDerWaalsContact C-N 3.31Å; D10-I12 PolarHBondContact O-N 2.86Å; I12-L14 VanDerWaalsContact C-N 3.29Å; I12-L14 PolarHBondContact O-N 3.45Å; I12-E15 PolarHBondContact O-N 3.47Å
13L95.6Very high81.2Confident52 Ų5268.9 Ų68.927%0.27238%0.375SS..Hα-helixtrans-65.1-32-177.2-61.1179.3000113S9 D10 S92 Y95S9-L13 WeakPolarHBondContact O-CG 3.27Å; S9-L13 PolarHBondContact O-N 3.4Å; D10-L13 PolarHBondContact O-N 3.15Å; L13-S92 WeakPolarHBondContact O-CB 3.37Å; L13-S92 PolarHBondContact O-OG 3.17Å; L13-Y95 HydrophobicContact CB-CD1 4Å; L13-Y95 HydrophobicContact CB-CE1 4.11Å; L13-Y95 HydrophobicContact CD1-CD1 4.39Å; L13-Y95 HydrophobicContact CD1-CE1 4.17Å
14L97.3Very high82.6Confident28 Ų2871.4 Ų71.415%0.14738%0.382CS..THydrogen-bonded Turntrans-95.40.8-178.3-65.6173.3000113.9D10 I12 Y17 K18 Y95 V96 L99D10-L14 VanDerWaalsContact O-CB 3.27Å; D10-L14 WeakPolarHBondContact O-CB 3.43Å; D10-L14 WeakPolarHBondContact O-CG 3.34Å; D10-L14 PolarHBondContact O-N 3.06Å; I12-L14 VanDerWaalsContact C-N 3.29Å; I12-L14 PolarHBondContact O-N 3.45Å; L14-Y17 PolarHBondContact O-N 2.93Å; L14-K18 HydrophobicContact CB-CD 4.5Å; L14-K18 WeakPolarHBondContact O-CB 3.3Å; L14-K18 WeakPolarHBondContact O-CG 3.38Å; L14-K18 PolarHBondContact O-N 2.95Å; L14-Y95 HydrophobicContact CD2-CD1 3.95Å; L14-Y95 HydrophobicContact CD2-CE1 4.08Å; L14-Y95 HydrophobicContact CG-CD1 4.41Å; L14-Y95 HydrophobicContact CG-CE1 4.18Å; L14-V96 HydrophobicContact CD2-CG2 3.54Å; L14-L99 HydrophobicContact CD2-CD1 4.02Å
15E96.9Very high83.7Confident92 Ų9268.9 Ų68.943%0.4337%0.37SS..Hα-helixtrans-59.1-46.5-177.4-166.1178.6171.100112.9R11 I12 Y17 K18 Y19 Y84R11-E15 PolarHBondContact O-N 3.06Å; I12-E15 PolarHBondContact O-N 3.47Å; E15-Y17 VanDerWaalsContact C-N 3.32Å; E15-Y17 PolarHBondContact O-N 3.38Å; E15-K18 PolarHBondContact O-N 3.14Å; E15-Y19 PolarHBondContact O-N 3.05Å; E15-Y84 HydrophobicContact CG-CE1 3.83Å; E15-Y84 WeakPolarHBondContact OE1-CE1 3.36Å; E15-Y84 PolarHBondContact OE1-OH 3.02Å
16P97.8Very high84.7Confident5 Ų570.6 Ų70.63%0.03237%0.368CS..Hα-helixtrans-62.1-38.1176-2334.6000113.5Y19 L20 A80 Y84 V89P16-Y19 WeakPolarHBondContact O-CB 3.4Å; P16-Y19 PolarHBondContact O-N 3.14Å; P16-L20 PolarHBondContact O-N 3.33Å; P16-A80 HydrophobicContact CB-CB 4.39Å; P16-Y84 HydrophobicContact CB-CD2 4.1Å; P16-Y84 HydrophobicContact CB-CG 4.4Å; P16-Y84 HydrophobicContact CG-CD2 4.2Å; P16-Y84 HydrophobicContact CG-CG 4.01Å; P16-V89 HydrophobicContact CB-CG2 3.89Å; P16-V89 HydrophobicContact CG-CG2 4.23Å
17Y97.4Very high85.8Confident22 Ų2270.5 Ų70.59%0.08637%0.367CS..Hα-helixtrans-66.4-44.5176.6179.8-100.2000112L14 E15 Y19 L20 L21 M56 N59 L63 V96L14-Y17 PolarHBondContact O-N 2.93Å; E15-Y17 VanDerWaalsContact C-N 3.32Å; E15-Y17 PolarHBondContact O-N 3.38Å; Y17-Y19 VanDerWaalsContact C-N 3.32Å; Y17-Y19 PolarHBondContact O-N 2.95Å; Y17-L20 PolarHBondContact O-N 2.79Å; Y17-L21 HydrophobicContact CD1-CD1 4.03Å; Y17-L21 HydrophobicContact CD1-CG 4.37Å; Y17-L21 HydrophobicContact CE1-CD1 3.45Å; Y17-L21 VanDerWaalsContact CE1-CD1 3.45Å; Y17-L21 HydrophobicContact CE1-CD2 4.41Å; Y17-L21 HydrophobicContact CE1-CG 3.97Å; Y17-L21 WeakPolarHBondContact O-CG 3.3Å; Y17-L21 PolarHBondContact O-N 3.31Å; Y17-L21 VanDerWaalsContact O-N 3.12Å; Y17-M56 WeakPolarHBondContact OH-CA 3.48Å; Y17-N59 HydrophobicContact CD2-CB 4.36Å; Y17-N59 HydrophobicContact CE2-CB 3.54Å; Y17-L63 HydrophobicContact CD2-CD1 4.13Å; Y17-V96 HydrophobicContact CD1-CG2 4.15Å; Y17-V96 HydrophobicContact CD2-CB 4.33Å; Y17-V96 HydrophobicContact CD2-CG1 4.06Å; Y17-V96 HydrophobicContact CD2-CG2 3.79Å; Y17-V96 HydrophobicContact CE2-CB 4.48Å; Y17-V96 HydrophobicContact CE2-CG1 3.71Å; Y17-V96 HydrophobicContact CE2-CG2 4.26Å; Y17-V96 HydrophobicContact CG-CG2 3.74Å
18K95.9Very high86.7Confident101 Ų10167.8 Ų67.844%0.43935%0.349SS..Hα-helixtrans-64.8-35.6176.2-74.2178.1180177.40112.2L14 E15 L21 Q22L14-K18 HydrophobicContact CB-CD 4.5Å; L14-K18 WeakPolarHBondContact O-CB 3.3Å; L14-K18 WeakPolarHBondContact O-CG 3.38Å; L14-K18 PolarHBondContact O-N 2.95Å; E15-K18 PolarHBondContact O-N 3.14Å; K18-L21 PolarHBondContact O-N 3.09Å; K18-Q22 WeakPolarHBondContact O-CG 3.46Å; K18-Q22 PolarHBondContact O-N 2.86Å
19Y96.5Very high87.6Confident29 Ų2968 Ų6811%0.11434%0.339CS..Hα-helixtrans-57-50.1171.7167.2-98.4000111.1E15 P16 Y17 L21 Q22 L23 P78 A80 I83 Y84E15-Y19 PolarHBondContact O-N 3.05Å; P16-Y19 WeakPolarHBondContact O-CB 3.4Å; P16-Y19 PolarHBondContact O-N 3.14Å; Y17-Y19 VanDerWaalsContact C-N 3.32Å; Y17-Y19 PolarHBondContact O-N 2.95Å; Y19-L21 VanDerWaalsContact C-N 3.27Å; Y19-L21 PolarHBondContact O-N 3.36Å; Y19-Q22 WeakPolarHBondContact O-CB 3.36Å; Y19-Q22 PolarHBondContact O-N 3.11Å; Y19-Q22 VanDerWaalsContact O-N 3.12Å; Y19-L23 HydrophobicContact CE1-CD1 4.43Å; Y19-P78 VanDerWaalsContact CE1-O 3.32Å; Y19-P78 WeakPolarHBondContact CE1-O 3.48Å; Y19-P78 PolarHBondContact OH-O 3.31Å; Y19-A80 HydrophobicContact CD1-CB 3.91Å; Y19-A80 HydrophobicContact CE1-CB 4.29Å; Y19-I83 HydrophobicContact CD2-CD1 4.28Å; Y19-I83 HydrophobicContact CE1-CD1 3.84Å; Y19-I83 HydrophobicContact CE2-CD1 3.56Å; Y19-I83 WeakPolarHBondContact OH-CD1 3.45Å; Y19-Y84 HydrophobicContact CD1-CE2 4.27Å; Y19-Y84 HydrophobicContact CD2-CE2 4.39Å; Y19-Y84 AromaticContact CG-CE2 3.88Å; Y19-Y84 HydrophobicContact CG-CE2 3.88Å
20L94.4Very high87.9Confident3 Ų366.1 Ų66.12%0.01632%0.324CS..Hα-helixtrans-59.9-36.5177.5177.562.7000112.7P16 Y17 Q22 L23 N59 L62 L63 R74P16-L20 PolarHBondContact O-N 3.33Å; Y17-L20 PolarHBondContact O-N 2.79Å; L20-Q22 VanDerWaalsContact C-N 3.29Å; L20-Q22 PolarHBondContact O-N 2.88Å; L20-L23 HydrophobicContact CD1-CD1 4.09Å; L20-L23 WeakPolarHBondContact O-CB 3.11Å; L20-L23 WeakPolarHBondContact O-CG 3.5Å; L20-L23 PolarHBondContact O-N 3.2Å; L20-N59 HydrophobicContact CD2-CB 3.91Å; L20-N59 WeakPolarHBondContact CD2-O 3.28Å; L20-L62 HydrophobicContact CD2-CB 4.1Å; L20-L63 HydrophobicContact CB-CD2 4.06Å; L20-L63 HydrophobicContact CD2-CD2 3.77Å; L20-L63 HydrophobicContact CD2-CG 3.78Å; L20-L63 HydrophobicContact CG-CD2 4.46Å; L20-R74 HydrophobicContact CD1-CG 3.83Å
21L92.2Very high88Confident87 Ų8768.3 Ų68.346%0.45533%0.331SS..Hα-helixtrans-68.4-23.3178.4-68.4-173.8000114.1Y17 K18 Y19 L23 N59Y17-L21 HydrophobicContact CD1-CD1 4.03Å; Y17-L21 HydrophobicContact CD1-CG 4.37Å; Y17-L21 HydrophobicContact CE1-CD1 3.45Å; Y17-L21 VanDerWaalsContact CE1-CD1 3.45Å; Y17-L21 HydrophobicContact CE1-CD2 4.41Å; Y17-L21 HydrophobicContact CE1-CG 3.97Å; Y17-L21 WeakPolarHBondContact O-CG 3.3Å; Y17-L21 PolarHBondContact O-N 3.31Å; Y17-L21 VanDerWaalsContact O-N 3.12Å; K18-L21 PolarHBondContact O-N 3.09Å; Y19-L21 VanDerWaalsContact C-N 3.27Å; Y19-L21 PolarHBondContact O-N 3.36Å; L21-L23 PolarHBondContact O-N 3.45Å; L21-N59 HydrophobicContact CD2-CB 4.23Å
22Q90.8Very high87.9Confident149 Ų14960.6 Ų60.670%0.69630%0.302SS*.Hα-helixtrans-70.2-19.6174.8-67.6168.313.300112K18 Y19 L20K18-Q22 WeakPolarHBondContact O-CG 3.46Å; K18-Q22 PolarHBondContact O-N 2.86Å; Y19-Q22 WeakPolarHBondContact O-CB 3.36Å; Y19-Q22 PolarHBondContact O-N 3.11Å; Y19-Q22 VanDerWaalsContact O-N 3.12Å; L20-Q22 VanDerWaalsContact C-N 3.29Å; L20-Q22 PolarHBondContact O-N 2.88Å
23L86.4Confident87.8Confident9 Ų955.6 Ų55.65%0.04728%0.277CS..SBendtrans-80.1122.6-178-47.7-171.7000109.5Y19 L20 L21 G25 R74 R75 F77Y19-L23 HydrophobicContact CE1-CD1 4.43Å; L20-L23 HydrophobicContact CD1-CD1 4.09Å; L20-L23 WeakPolarHBondContact O-CB 3.11Å; L20-L23 WeakPolarHBondContact O-CG 3.5Å; L20-L23 PolarHBondContact O-N 3.2Å; L21-L23 PolarHBondContact O-N 3.45Å; L23-G25 PolarHBondContact O-N 3.4Å; L23-G25 VanDerWaalsContact O-N 3.15Å; L23-R74 HydrophobicContact CD1-CG 4.49Å; L23-R75 HydrophobicContact CB-CB 4.26Å; L23-R75 PolarHBondContact O-NH1 3.21Å; L23-F77 HydrophobicContact CB-CD2 4.35Å; L23-F77 HydrophobicContact CD1-CB 3.93Å; L23-F77 HydrophobicContact CD1-CD2 4.24Å; L23-F77 HydrophobicContact CD1-CG 4.38Å; L23-F77 HydrophobicContact CD2-CB 3.81Å; L23-F77 HydrophobicContact CD2-CD1 4.1Å; L23-F77 HydrophobicContact CD2-CD2 3.56Å; L23-F77 HydrophobicContact CD2-CE2 4.14Å; L23-F77 HydrophobicContact CD2-CG 3.54Å; L23-F77 HydrophobicContact CG-CD2 4.25Å
24P73Confident87.6Confident105 Ų10557.8 Ų57.868%0.68229%0.286SS*.  trans-62119-175.523.7-32.5000111.6R75P24-R75 WeakPolarHBondContact O-CD 3.31Å
25G70.8Confident87.5Confident32 Ų3256.5 Ų56.533%0.3328%0.279SS..  trans-106.1158.5176.700000112.7L23 Q27L23-G25 PolarHBondContact O-N 3.4Å; L23-G25 VanDerWaalsContact O-N 3.15Å; G25-Q27 PolarHBondContact O-N 2.94Å
26K69.3Low87.5Confident110 Ų11052.1 Ų52.148%0.47826%0.259SS..  trans-74.5-1.5-179.8-63.8-174.3179.2-1770114.4V28 E198K26-V28 HydrophobicContact CB-CG2 3.86Å; K26-V28 PolarHBondContact O-N 3.08Å; K26-E198 IonicContact NZ-OE1 3.36Å; K26-E198 PolarHBondContact NZ-OE1 2.88Å
27Q75.4Confident87.4Confident128 Ų12853.2 Ų53.260%0.59826%0.264SS*.  trans4436.5179.9-66.1-178.4-3.500114.4G25 R29 T30 K31G25-Q27 PolarHBondContact O-N 2.94Å; Q27-R29 VanDerWaalsContact C-N 3.31Å; Q27-R29 PolarHBondContact O-N 3.48Å; Q27-T30 PolarHBondContact O-N 3.39Å; Q27-K31 PolarHBondContact O-N 2.92Å
28V79.4Confident87.4Confident27 Ų2757 Ų5716%0.16428%0.283CS..Hα-helixtrans-62.7-39.1-173.7175.50000111.6K26 T30 K31 L32 F185K26-V28 HydrophobicContact CB-CG2 3.86Å; K26-V28 PolarHBondContact O-N 3.08Å; V28-T30 PolarHBondContact O-N 3.46Å; V28-K31 PolarHBondContact O-N 2.58Å; V28-L32 VanDerWaalsContact O-CB 3.3Å; V28-L32 WeakPolarHBondContact O-CB 3.33Å; V28-L32 PolarHBondContact O-N 3.01Å; V28-F185 HydrophobicContact CG1-CD1 4.49Å; V28-F185 HydrophobicContact CG1-CE1 3.43Å; V28-F185 VanDerWaalsContact CG1-CE1 3.43Å; V28-F185 HydrophobicContact CG1-CZ 3.51Å
29R81.3Confident87.5Confident58 Ų5853.1 Ų53.122%0.21927%0.265CS..Hα-helixtrans-64.3-38.8-178.6-76.1169.4177.778.14.1112.4Q27 L32 A33 T54 H58 F157Q27-R29 VanDerWaalsContact C-N 3.31Å; Q27-R29 PolarHBondContact O-N 3.48Å; R29-L32 PolarHBondContact O-N 3.36Å; R29-A33 PolarHBondContact O-N 3.37Å; R29-T54 HydrophobicContact CB-CG2 4.45Å; R29-H58 VanDerWaalsContact CZ-ND1 3.26Å; R29-H58 PolarHBondContact NH1-CE1 3.02Å; R29-H58 PolarHBondContact NH1-ND1 3.48Å; R29-H58 PolarHBondContact NH1-NE2 3.38Å; R29-F157 HydrophobicContact CG-CD1 4.44Å; R29-F157 HydrophobicContact CG-CE1 3.88Å
30T84.8Confident87.5Confident19 Ų1951.8 Ų51.812%0.11726%0.26CS..Hα-helixtrans-67-46.4177.6-44.40000110.8Q27 V28 L32 A33 Q34 I51 E55Q27-T30 PolarHBondContact O-N 3.39Å; V28-T30 PolarHBondContact O-N 3.46Å; T30-L32 VanDerWaalsContact C-N 3.26Å; T30-L32 PolarHBondContact O-N 3.24Å; T30-A33 PolarHBondContact O-N 3.29Å; T30-Q34 WeakPolarHBondContact O-CG 3.15Å; T30-Q34 PolarHBondContact O-N 3.04Å; T30-I51 HydrophobicContact CG2-CD1 4.39Å; T30-I51 HydrophobicContact CG2-CG2 3.82Å; T30-E55 PolarHBondContact OG1-OE1 3.24Å
31K88.8Confident87.7Confident105 Ų10558 Ų5846%0.45729%0.294SS..Hα-helixtrans-60.3-37.9172.9-67.4177.7179.2175.50112Q27 V28 A35 L288Q27-K31 PolarHBondContact O-N 2.92Å; V28-K31 PolarHBondContact O-N 2.58Å; K31-A35 VanDerWaalsContact O-CB 3.31Å; K31-A35 WeakPolarHBondContact O-CB 3.17Å; K31-A35 PolarHBondContact O-N 3.17Å; K31-L288 HydrophobicContact CB-CD1 4.49Å; K31-L288 HydrophobicContact CB-CD2 4.32Å; K31-L288 HydrophobicContact CD-CD1 4.41Å
32L89.1Confident88Confident3 Ų354.1 Ų54.12%0.01627%0.274CS..Hα-helixtrans-68.2-47.3177.5-171.3147.2000111V28 R29 T30 Q34 A35 F36 F157 L181 F185 L288V28-L32 VanDerWaalsContact O-CB 3.3Å; V28-L32 WeakPolarHBondContact O-CB 3.33Å; V28-L32 PolarHBondContact O-N 3.01Å; R29-L32 PolarHBondContact O-N 3.36Å; T30-L32 VanDerWaalsContact C-N 3.26Å; T30-L32 PolarHBondContact O-N 3.24Å; L32-Q34 VanDerWaalsContact C-N 3.29Å; L32-Q34 PolarHBondContact O-N 3.35Å; L32-A35 WeakPolarHBondContact O-CB 3.32Å; L32-A35 PolarHBondContact O-N 3.32Å; L32-A35 VanDerWaalsContact O-N 3.11Å; L32-F36 HydrophobicContact CD1-CE2 4.39Å; L32-F36 HydrophobicContact CD2-CD2 3.46Å; L32-F36 VanDerWaalsContact CD2-CD2 3.46Å; L32-F36 HydrophobicContact CD2-CE2 3.53Å; L32-F36 HydrophobicContact CG-CD2 3.84Å; L32-F36 HydrophobicContact CG-CE2 3.79Å; L32-F36 WeakPolarHBondContact O-CD2 3.3Å; L32-F36 PolarHBondContact O-N 2.83Å; L32-F157 HydrophobicContact CD1-CD1 4.14Å; L32-F157 HydrophobicContact CD1-CE1 3.85Å; L32-F157 HydrophobicContact CD1-CZ 4.06Å; L32-F157 HydrophobicContact CD2-CD1 4.18Å; L32-L181 HydrophobicContact CD1-CD1 4.41Å; L32-F185 HydrophobicContact CD1-CE2 4Å; L32-F185 HydrophobicContact CD1-CZ 4.47Å; L32-L288 HydrophobicContact CB-CD2 4.21Å
33A90.9Very high88.3Confident3 Ų350 Ų503%0.02526%0.26CS..Hα-helixtrans-56.9-44.2174.800000111.5R29 T30 F36 N37 I51 M164R29-A33 PolarHBondContact O-N 3.37Å; T30-A33 PolarHBondContact O-N 3.29Å; A33-F36 PolarHBondContact O-N 2.86Å; A33-N37 PolarHBondContact O-N 2.97Å; A33-I51 HydrophobicContact CB-CD1 4.44Å; A33-I51 HydrophobicContact CB-CG1 3.93Å; A33-M164 HydrophobicContact CB-SD 4.37Å; A33-M164 WeakPolarHBondContact O-CE 3.33Å
34Q91.4Very high88.8Confident98 Ų9855.7 Ų55.746%0.45829%0.286SS..Hα-helixtrans-61.2-44.9174-71.9172.8-1700112.2T30 L32 F36 N37 H38 Q284T30-Q34 WeakPolarHBondContact O-CG 3.15Å; T30-Q34 PolarHBondContact O-N 3.04Å; L32-Q34 VanDerWaalsContact C-N 3.29Å; L32-Q34 PolarHBondContact O-N 3.35Å; Q34-F36 PolarHBondContact O-N 3.38Å; Q34-N37 VanDerWaalsContact O-CB 3.3Å; Q34-N37 WeakPolarHBondContact O-CB 3.45Å; Q34-N37 PolarHBondContact O-N 3.47Å; Q34-N37 VanDerWaalsContact O-N 3.08Å; Q34-H38 PolarHBondContact O-N 3.21Å; Q34-Q284 PolarHBondContact O-OE1 3Å
35A95.1Very high89.9Confident1 Ų155.5 Ų55.51%0.00828%0.279CS..Hα-helixtrans-62.2-43.1177.600000111.9K31 L32 N37 H38 N282 Q284 L285K31-A35 VanDerWaalsContact O-CB 3.31Å; K31-A35 WeakPolarHBondContact O-CB 3.17Å; K31-A35 PolarHBondContact O-N 3.17Å; L32-A35 WeakPolarHBondContact O-CB 3.32Å; L32-A35 PolarHBondContact O-N 3.32Å; L32-A35 VanDerWaalsContact O-N 3.11Å; A35-N37 VanDerWaalsContact C-N 3.25Å; A35-N37 PolarHBondContact O-N 2.84Å; A35-H38 WeakPolarHBondContact O-CB 3.41Å; A35-H38 PolarHBondContact O-N 3.15Å; A35-N282 PolarHBondContact O-ND2 3.16Å; A35-Q284 HydrophobicContact CB-CB 3.94Å; A35-L285 HydrophobicContact CB-CB 3.99Å; A35-L285 HydrophobicContact CB-CD1 4.26Å
36F96.4Very high91.1Very high0 Ų056 Ų560%027%0.272CS..Hα-helixtrans-67.3-27.1174.2-85.4-89.9000112.5L32 A33 Q34 H38 W39 L40 V161 M164 L174 L177 L178 L181 L285L32-F36 HydrophobicContact CD1-CE2 4.39Å; L32-F36 HydrophobicContact CD2-CD2 3.46Å; L32-F36 VanDerWaalsContact CD2-CD2 3.46Å; L32-F36 HydrophobicContact CD2-CE2 3.53Å; L32-F36 HydrophobicContact CG-CD2 3.84Å; L32-F36 HydrophobicContact CG-CE2 3.79Å; L32-F36 WeakPolarHBondContact O-CD2 3.3Å; L32-F36 PolarHBondContact O-N 2.83Å; A33-F36 PolarHBondContact O-N 2.86Å; Q34-F36 PolarHBondContact O-N 3.38Å; F36-H38 PolarHBondContact O-N 2.6Å; F36-W39 HydrophobicContact CD1-CE3 4Å; F36-W39 HydrophobicContact CD1-CZ3 4Å; F36-W39 HydrophobicContact CE1-CE3 4.37Å; F36-W39 AromaticContact CE1-CZ3 3.96Å; F36-W39 HydrophobicContact CE1-CZ3 3.96Å; F36-W39 PolarHBondContact O-N 2.9Å; F36-W39 VanDerWaalsContact O-N 3.09Å; F36-L40 HydrophobicContact CB-CD1 4.31Å; F36-L40 WeakPolarHBondContact O-CG 3.31Å; F36-L40 PolarHBondContact O-N 3.18Å; F36-V161 HydrophobicContact CB-CG2 4.08Å; F36-V161 HydrophobicContact CD1-CG1 4.33Å; F36-V161 HydrophobicContact CD1-CG2 3.79Å; F36-V161 HydrophobicContact CD2-CG2 4.06Å; F36-V161 HydrophobicContact CE1-CG2 4.2Å; F36-V161 HydrophobicContact CE2-CG2 4.46Å; F36-V161 HydrophobicContact CG-CG2 3.69Å; F36-M164 HydrophobicContact CB-CE 4.2Å; F36-L174 HydrophobicContact CD1-CD1 3.96Å; F36-L174 HydrophobicContact CE1-CB 4.36Å; F36-L174 HydrophobicContact CE1-CD1 4.21Å; F36-L174 HydrophobicContact CE1-CD2 4.32Å; F36-L177 HydrophobicContact CE1-CD2 4.22Å; F36-L177 HydrophobicContact CZ-CD2 4.11Å; F36-L177 HydrophobicContact CZ-CG 4.3Å; F36-L178 HydrophobicContact CE1-CD2 4.07Å; F36-L178 HydrophobicContact CE1-CG 4.36Å; F36-L178 HydrophobicContact CE2-CD2 4.1Å; F36-L178 HydrophobicContact CZ-CD2 3.6Å; F36-L178 HydrophobicContact CZ-CG 4.19Å; F36-L181 HydrophobicContact CE2-CD1 3.93Å; F36-L181 HydrophobicContact CZ-CD1 3.93Å; F36-L285 HydrophobicContact CE2-CD1 4.37Å; F36-L285 HydrophobicContact CE2-CD2 4.1Å; F36-L285 HydrophobicContact CZ-CD2 4.22Å
37N96.9Very high92.5Very high28 Ų2851 Ų5115%0.1525%0.251CS..Hα-helixtrans-65.5-18.5175.3-153.848000113.1A33 Q34 A35 W39 L40 N41 V42 L47 M164A33-N37 PolarHBondContact O-N 2.97Å; Q34-N37 VanDerWaalsContact O-CB 3.3Å; Q34-N37 WeakPolarHBondContact O-CB 3.45Å; Q34-N37 PolarHBondContact O-N 3.47Å; Q34-N37 VanDerWaalsContact O-N 3.08Å; A35-N37 VanDerWaalsContact C-N 3.25Å; A35-N37 PolarHBondContact O-N 2.84Å; N37-W39 PolarHBondContact O-N 3.36Å; N37-L40 PolarHBondContact O-N 3.45Å; N37-N41 PolarHBondContact O-N 3.3Å; N37-V42 VanDerWaalsContact OD1-CB 3.31Å; N37-V42 WeakPolarHBondContact OD1-CB 3.27Å; N37-V42 PolarHBondContact OD1-N 2.74Å; N37-L47 HydrophobicContact CB-CD1 4.48Å; N37-L47 HydrophobicContact CB-CD2 4.2Å; N37-L47 WeakPolarHBondContact ND2-CD2 3.43Å; N37-M164 HydrophobicContact CB-CE 3.74Å
38H96.6Very high93.5Very high103 Ų10348.8 Ų48.848%0.47724%0.24SC..Hα-helixtrans-53.4-39.8169-178.166.4000112.4Q34 A35 F36Q34-H38 PolarHBondContact O-N 3.21Å; A35-H38 WeakPolarHBondContact O-CB 3.41Å; A35-H38 PolarHBondContact O-N 3.15Å; F36-H38 PolarHBondContact O-N 2.6Å
39W97.6Very high94.3Very high18 Ų1848.6 Ų48.67%0.06824%0.24CC..Hα-helixtrans-91.5-41.4176.3-62.7-49.6000112.4F36 N37 W170 L174 L177 I276 L279 G281 N282 L285F36-W39 HydrophobicContact CD1-CE3 4Å; F36-W39 HydrophobicContact CD1-CZ3 4Å; F36-W39 HydrophobicContact CE1-CE3 4.37Å; F36-W39 AromaticContact CE1-CZ3 3.96Å; F36-W39 HydrophobicContact CE1-CZ3 3.96Å; F36-W39 PolarHBondContact O-N 2.9Å; F36-W39 VanDerWaalsContact O-N 3.09Å; N37-W39 PolarHBondContact O-N 3.36Å; W39-W170 HydrophobicContact CB-CD2 4.03Å; W39-W170 HydrophobicContact CB-CE3 4.13Å; W39-W170 HydrophobicContact CB-CH2 4.39Å; W39-W170 HydrophobicContact CB-CZ2 4.3Å; W39-W170 HydrophobicContact CB-CZ3 4.31Å; W39-W170 AromaticContact CD1-CH2 3.86Å; W39-W170 HydrophobicContact CG-CH2 4.27Å; W39-W170 HydrophobicContact CG-CZ2 4.23Å; W39-L174 HydrophobicContact CE3-CD2 4.07Å; W39-L174 HydrophobicContact CZ3-CD2 4.25Å; W39-L177 HydrophobicContact CH2-CD2 3.56Å; W39-L177 HydrophobicContact CZ3-CD2 3.66Å; W39-I276 HydrophobicContact CH2-CG1 4.12Å; W39-I276 HydrophobicContact CH2-CG2 4.43Å; W39-I276 HydrophobicContact CZ2-CG2 4.2Å; W39-L279 HydrophobicContact CH2-CB 4.24Å; W39-L279 HydrophobicContact CH2-CD1 3.75Å; W39-L279 HydrophobicContact CZ2-CB 3.66Å; W39-L279 HydrophobicContact CZ2-CD1 4.06Å; W39-L279 HydrophobicContact CZ3-CD1 4.12Å; W39-L279 PolarHBondContact NE1-O 3.12Å; W39-G281 PolarHBondContact NE1-O 3.27Å; W39-N282 HydrophobicContact CH2-CB 3.78Å; W39-N282 HydrophobicContact CZ2-CB 3.36Å; W39-L285 HydrophobicContact CH2-CD2 3.98Å; W39-L285 HydrophobicContact CZ3-CD2 3.99Å
40L97.6Very high95Very high1 Ų145.9 Ų45.91%0.00523%0.229CC..Hα-helixtrans-80-25.2-168.9-62.5176.8000113.4F36 N37 V42 V161 M164 Q165 S168 W170 L174F36-L40 HydrophobicContact CB-CD1 4.31Å; F36-L40 WeakPolarHBondContact O-CG 3.31Å; F36-L40 PolarHBondContact O-N 3.18Å; N37-L40 PolarHBondContact O-N 3.45Å; L40-V42 HydrophobicContact CB-CG2 3.95Å; L40-V42 PolarHBondContact O-N 3.44Å; L40-V161 HydrophobicContact CD1-CG1 4.07Å; L40-M164 HydrophobicContact CB-CE 4.32Å; L40-M164 HydrophobicContact CD1-CB 3.5Å; L40-M164 VanDerWaalsContact CD1-CB 3.5Å; L40-M164 HydrophobicContact CD1-CE 3.83Å; L40-M164 HydrophobicContact CD1-CG 4.41Å; L40-M164 HydrophobicContact CD1-SD 4.14Å; L40-Q165 HydrophobicContact CD1-CG 4.37Å; L40-Q165 HydrophobicContact CD2-CG 3.88Å; L40-S168 WeakPolarHBondContact CA-OG 3.36Å; L40-S168 WeakPolarHBondContact O-CB 3.49Å; L40-S168 PolarHBondContact O-OG 3.01Å; L40-W170 HydrophobicContact CD2-CB 3.79Å; L40-W170 HydrophobicContact CD2-CG 4.02Å; L40-L174 HydrophobicContact CD1-CD1 4.18Å; L40-L174 HydrophobicContact CD2-CD1 3.77Å; L40-L174 HydrophobicContact CG-CD1 4.22Å
41N97.4Very high95.5Very high135 Ų13545.5 Ų45.572%0.72223%0.226SC*.  trans4647.2177-165.337.9000113.6N37N37-N41 PolarHBondContact O-N 3.3Å
42V98Very high95.8Very high5 Ų543.4 Ų43.43%0.0322%0.218CC..  trans-70.6140.8-179.9178.40000109.7N37 L40 E44 K46 L47 I50 M164 F167N37-V42 VanDerWaalsContact OD1-CB 3.31Å; N37-V42 WeakPolarHBondContact OD1-CB 3.27Å; N37-V42 PolarHBondContact OD1-N 2.74Å; L40-V42 HydrophobicContact CB-CG2 3.95Å; L40-V42 PolarHBondContact O-N 3.44Å; V42-E44 PolarHBondContact O-N 2.89Å; V42-K46 HydrophobicContact CG1-CB 3.95Å; V42-L47 HydrophobicContact CB-CB 4.46Å; V42-L47 HydrophobicContact CG1-CB 4.18Å; V42-I50 HydrophobicContact CG1-CD1 4.48Å; V42-M164 HydrophobicContact CG2-CB 3.71Å; V42-M164 HydrophobicContact CG2-CE 4.35Å; V42-M164 HydrophobicContact CG2-CG 4.13Å; V42-M164 VanDerWaalsContact CG2-O 3.32Å; V42-M164 WeakPolarHBondContact CG2-O 3.31Å; V42-F167 HydrophobicContact CG1-CB 3.94Å
43P97.7Very high96.1Very high63 Ų6343.3 Ų43.341%0.40922%0.218SC..  trans-53.6135.9171.9-27.135.7000112.4D45 K46 L47P43-D45 VanDerWaalsContact C-N 3.29Å; P43-D45 VanDerWaalsContact CB-OD1 3.27Å; P43-D45 WeakPolarHBondContact CB-OD1 3.47Å; P43-D45 PolarHBondContact O-N 3Å; P43-K46 HydrophobicContact CB-CG 4.3Å; P43-K46 PolarHBondContact O-N 2.96Å; P43-L47 PolarHBondContact O-N 3.16Å
44E96.2Very high96.3Very high128 Ų12843.5 Ų43.560%0.59822%0.218SC*.Hα-helixtrans-57-39.5-171.5-173.661.8-155.800113.1V42 K46 L47 Q48V42-E44 PolarHBondContact O-N 2.89Å; E44-K46 VanDerWaalsContact C-N 3.3Å; E44-K46 PolarHBondContact O-N 3.46Å; E44-L47 PolarHBondContact O-N 3.44Å; E44-Q48 WeakPolarHBondContact O-CB 3.07Å; E44-Q48 PolarHBondContact O-N 3.35Å
45D96.3Very high96.4Very high100 Ų10041.9 Ų41.954%0.53521%0.211SC..Hα-helixtrans-61.3-38.9177.565-57.9000112P43 V49P43-D45 VanDerWaalsContact C-N 3.29Å; P43-D45 VanDerWaalsContact CB-OD1 3.27Å; P43-D45 WeakPolarHBondContact CB-OD1 3.47Å; P43-D45 PolarHBondContact O-N 3Å; D45-V49 WeakPolarHBondContact O-CG2 3.38Å
46K97.8Very high96.4Very high42 Ų4242.9 Ų42.918%0.18322%0.216CC..Hα-helixtrans-76.7-40.9177.3-56.9-59.8176.91740111.4V42 P43 E44 Q48 V49 I50 L107 F167V42-K46 HydrophobicContact CG1-CB 3.95Å; P43-K46 HydrophobicContact CB-CG 4.3Å; P43-K46 PolarHBondContact O-N 2.96Å; E44-K46 VanDerWaalsContact C-N 3.3Å; E44-K46 PolarHBondContact O-N 3.46Å; K46-Q48 VanDerWaalsContact C-N 3.33Å; K46-Q48 PolarHBondContact O-N 3.4Å; K46-V49 PolarHBondContact O-N 3.21Å; K46-I50 WeakPolarHBondContact O-CD1 3.31Å; K46-I50 VanDerWaalsContact O-CG1 3.27Å; K46-I50 WeakPolarHBondContact O-CG1 3.32Å; K46-I50 PolarHBondContact O-N 3.2Å; K46-L107 HydrophobicContact CB-CD2 4.27Å; K46-L107 HydrophobicContact CD-CD2 3.94Å; K46-L107 PolarHBondContact NZ-O 3.38Å; K46-F167 HydrophobicContact CB-CD2 4.36Å; K46-F167 HydrophobicContact CB-CG 4.34Å; K46-F167 HydrophobicContact CD-CD1 4.5Å; K46-F167 HydrophobicContact CD-CE1 4.12Å; K46-F167 HydrophobicContact CD-CZ 4.26Å; K46-F167 HydrophobicContact CG-CD1 4.11Å; K46-F167 HydrophobicContact CG-CE1 4.23Å; K46-F167 HydrophobicContact CG-CG 4.34Å
47L96.9Very high96.3Very high5 Ų543.1 Ų43.13%0.02622%0.217CC..Hα-helixtrans-59.1-44.7177.7-17964.7000111.4N37 V42 P43 E44 V49 I50 I51 M164N37-L47 HydrophobicContact CB-CD1 4.48Å; N37-L47 HydrophobicContact CB-CD2 4.2Å; N37-L47 WeakPolarHBondContact ND2-CD2 3.43Å; V42-L47 HydrophobicContact CB-CB 4.46Å; V42-L47 HydrophobicContact CG1-CB 4.18Å; P43-L47 PolarHBondContact O-N 3.16Å; E44-L47 PolarHBondContact O-N 3.44Å; L47-V49 PolarHBondContact O-N 3.12Å; L47-I50 PolarHBondContact O-N 3.24Å; L47-I51 HydrophobicContact CD1-CD1 4.21Å; L47-I51 HydrophobicContact CD1-CG1 4.39Å; L47-I51 HydrophobicContact CD2-CD1 4.47Å; L47-I51 HydrophobicContact CG-CD1 3.89Å; L47-I51 HydrophobicContact CG-CG1 4.47Å; L47-I51 WeakPolarHBondContact O-CG1 3.48Å; L47-I51 PolarHBondContact O-N 2.56Å; L47-M164 HydrophobicContact CD1-CE 3.72Å; L47-M164 HydrophobicContact CD1-CG 4.31Å; L47-M164 HydrophobicContact CD1-SD 4.25Å
48Q96.3Very high96.1Very high82 Ų8243.1 Ų43.138%0.38322%0.216SC..Hα-helixtrans-60.2-44.6178.8-176.957.934.600111.6E44 K46 I50 I51 E52E44-Q48 WeakPolarHBondContact O-CB 3.07Å; E44-Q48 PolarHBondContact O-N 3.35Å; K46-Q48 VanDerWaalsContact C-N 3.33Å; K46-Q48 PolarHBondContact O-N 3.4Å; Q48-I50 VanDerWaalsContact C-N 3.35Å; Q48-I50 PolarHBondContact O-N 3.29Å; Q48-I51 PolarHBondContact O-N 3.46Å; Q48-E52 PolarHBondContact NE2-OE1 3.22Å; Q48-E52 VanDerWaalsContact O-CG 3.32Å; Q48-E52 WeakPolarHBondContact O-CG 3.44Å; Q48-E52 PolarHBondContact O-N 3.27Å
49V97Very high96Very high24 Ų2438.8 Ų38.815%0.14520%0.196CC..Hα-helixtrans-61.8-42.7175.4174.20000111.3D45 K46 L47 E52 V53 L107D45-V49 WeakPolarHBondContact O-CG2 3.38Å; K46-V49 PolarHBondContact O-N 3.21Å; L47-V49 PolarHBondContact O-N 3.12Å; V49-E52 PolarHBondContact O-N 3.26Å; V49-V53 HydrophobicContact CG1-CG2 4.45Å; V49-V53 VanDerWaalsContact O-CG2 3.31Å; V49-V53 WeakPolarHBondContact O-CG2 3.43Å; V49-V53 PolarHBondContact O-N 3.27Å; V49-L107 HydrophobicContact CB-CD2 3.84Å; V49-L107 HydrophobicContact CG1-CD2 3.65Å; V49-L107 HydrophobicContact CG1-CG 3.85Å
50I97.1Very high96Very high0 Ų038 Ų380%019%0.193CC..Hα-helixtrans-64.6-41.5179.3-66.8163.4000111.5V42 K46 L47 Q48 T54 L107 L163 M164 F167V42-I50 HydrophobicContact CG1-CD1 4.48Å; K46-I50 WeakPolarHBondContact O-CD1 3.31Å; K46-I50 VanDerWaalsContact O-CG1 3.27Å; K46-I50 WeakPolarHBondContact O-CG1 3.32Å; K46-I50 PolarHBondContact O-N 3.2Å; L47-I50 PolarHBondContact O-N 3.24Å; Q48-I50 VanDerWaalsContact C-N 3.35Å; Q48-I50 PolarHBondContact O-N 3.29Å; I50-T54 WeakPolarHBondContact O-CB 3.47Å; I50-T54 PolarHBondContact O-N 3.12Å; I50-T54 PolarHBondContact O-OG1 3Å; I50-L107 HydrophobicContact CG1-CD1 3.97Å; I50-L107 HydrophobicContact CG1-CD2 4.14Å; I50-L163 HydrophobicContact CD1-CB 3.95Å; I50-L163 HydrophobicContact CG1-CB 3.88Å; I50-L163 HydrophobicContact CG1-CD1 4.44Å; I50-L163 HydrophobicContact CG2-CB 4.06Å; I50-L163 HydrophobicContact CG2-CD1 4.35Å; I50-M164 HydrophobicContact CD1-CG 3.99Å; I50-M164 HydrophobicContact CG2-CG 4.11Å; I50-F167 HydrophobicContact CD1-CD2 4.31Å
51I94.8Very high95.9Very high12 Ų1239 Ų396%0.06220%0.201CC..Hα-helixtrans-60.8-49.4175.6-72.2169.3000109.9T30 A33 L47 Q48 V53 T54 E55T30-I51 HydrophobicContact CG2-CD1 4.39Å; T30-I51 HydrophobicContact CG2-CG2 3.82Å; A33-I51 HydrophobicContact CB-CD1 4.44Å; A33-I51 HydrophobicContact CB-CG1 3.93Å; L47-I51 HydrophobicContact CD1-CD1 4.21Å; L47-I51 HydrophobicContact CD1-CG1 4.39Å; L47-I51 HydrophobicContact CD2-CD1 4.47Å; L47-I51 HydrophobicContact CG-CD1 3.89Å; L47-I51 HydrophobicContact CG-CG1 4.47Å; L47-I51 WeakPolarHBondContact O-CG1 3.48Å; L47-I51 PolarHBondContact O-N 2.56Å; Q48-I51 PolarHBondContact O-N 3.46Å; I51-V53 PolarHBondContact O-N 2.91Å; I51-T54 PolarHBondContact O-N 3.45Å; I51-T54 VanDerWaalsContact O-N 3.16Å; I51-E55 HydrophobicContact CG2-CG 4.42Å; I51-E55 WeakPolarHBondContact O-CG 3.48Å; I51-E55 PolarHBondContact O-N 3.29Å
52E95Very high95.7Very high61 Ų6133.4 Ų33.429%0.28517%0.171SC..Hα-helixtrans-59.9-45.6179.9-73.4172.4-169.700112.2Q48 V49 T54 E55 M56 K103Q48-E52 PolarHBondContact NE2-OE1 3.22Å; Q48-E52 VanDerWaalsContact O-CG 3.32Å; Q48-E52 WeakPolarHBondContact O-CG 3.44Å; Q48-E52 PolarHBondContact O-N 3.27Å; V49-E52 PolarHBondContact O-N 3.26Å; E52-T54 VanDerWaalsContact C-N 3.33Å; E52-T54 PolarHBondContact O-N 3.45Å; E52-E55 PolarHBondContact O-N 2.82Å; E52-M56 WeakPolarHBondContact O-CB 3.31Å; E52-M56 WeakPolarHBondContact O-CG 3.32Å; E52-M56 PolarHBondContact O-N 3.43Å; E52-K103 IonicContact OE2-NZ 2.56Å; E52-K103 PolarHBondContact OE2-NZ 2.85Å
53V95.9Very high95.7Very high0 Ų033.2 Ų33.20%017%0.17CC..Hα-helixtrans-58-47.7174.7167.60000110.5V49 I51 E55 M56 L57 K103 V104 L159V49-V53 HydrophobicContact CG1-CG2 4.45Å; V49-V53 VanDerWaalsContact O-CG2 3.31Å; V49-V53 WeakPolarHBondContact O-CG2 3.43Å; V49-V53 PolarHBondContact O-N 3.27Å; I51-V53 PolarHBondContact O-N 2.91Å; V53-E55 PolarHBondContact O-N 3.3Å; V53-M56 PolarHBondContact O-N 2.66Å; V53-L57 HydrophobicContact CG1-CD1 4Å; V53-L57 HydrophobicContact CG1-CG 4.46Å; V53-L57 WeakPolarHBondContact O-CG 3.38Å; V53-L57 PolarHBondContact O-N 3.33Å; V53-K103 HydrophobicContact CG2-CB 3.59Å; V53-V104 HydrophobicContact CB-CG2 4.27Å; V53-V104 HydrophobicContact CG1-CG2 3.53Å; V53-V104 HydrophobicContact CG2-CG2 3.76Å; V53-L159 HydrophobicContact CG1-CD2 4.48Å
54T93.8Very high95.7Very high7 Ų731.3 Ų31.34%0.04316%0.155CC..Hα-helixtrans-63.5-42.3-177.5-56.90000111.5R29 I50 I51 E52 H58 L156 A160R29-T54 HydrophobicContact CB-CG2 4.45Å; I50-T54 WeakPolarHBondContact O-CB 3.47Å; I50-T54 PolarHBondContact O-N 3.12Å; I50-T54 PolarHBondContact O-OG1 3Å; I51-T54 PolarHBondContact O-N 3.45Å; I51-T54 VanDerWaalsContact O-N 3.16Å; E52-T54 VanDerWaalsContact C-N 3.33Å; E52-T54 PolarHBondContact O-N 3.45Å; T54-H58 VanDerWaalsContact O-CB 3.27Å; T54-H58 WeakPolarHBondContact O-CB 3.46Å; T54-H58 PolarHBondContact O-N 3.29Å; T54-L156 HydrophobicContact CG2-CD1 4.44Å; T54-L156 HydrophobicContact CG2-CG 4.26Å; T54-A160 HydrophobicContact CG2-CB 4.01Å; T54-A160 WeakPolarHBondContact OG1-CB 3.26Å
55E92.9Very high95.7Very high64 Ų6426.7 Ų26.730%0.29914%0.135SC..Hα-helixtrans-67.5-38.3176-72.5-172.316200112.4T30 I51 E52 V53 H58 N59T30-E55 PolarHBondContact OG1-OE1 3.24Å; I51-E55 HydrophobicContact CG2-CG 4.42Å; I51-E55 WeakPolarHBondContact O-CG 3.48Å; I51-E55 PolarHBondContact O-N 3.29Å; E52-E55 PolarHBondContact O-N 2.82Å; V53-E55 PolarHBondContact O-N 3.3Å; E55-H58 PolarHBondContact O-N 3.1Å; E55-N59 PolarHBondContact O-N 2.94Å; E55-N59 PolarHBondContact O-ND2 3.16Å
56M95.4Very high95.7Very high23 Ų2322 Ų2211%0.11311%0.11CC..Hα-helixtrans-59.6-53175.5-77.3175.267.700111.5Y17 E52 V53 H58 N59 A60 V96 L99 K103Y17-M56 WeakPolarHBondContact OH-CA 3.48Å; E52-M56 WeakPolarHBondContact O-CB 3.31Å; E52-M56 WeakPolarHBondContact O-CG 3.32Å; E52-M56 PolarHBondContact O-N 3.43Å; V53-M56 PolarHBondContact O-N 2.66Å; M56-H58 VanDerWaalsContact C-N 3.34Å; M56-H58 PolarHBondContact O-N 3Å; M56-N59 PolarHBondContact O-N 3.18Å; M56-A60 VanDerWaalsContact O-CB 3.28Å; M56-A60 WeakPolarHBondContact O-CB 3.22Å; M56-A60 PolarHBondContact O-N 3.02Å; M56-V96 HydrophobicContact CB-CG1 4.02Å; M56-V96 HydrophobicContact CE-CG1 4.07Å; M56-V96 HydrophobicContact CG-CG1 4.49Å; M56-L99 HydrophobicContact CE-CB 3.5Å; M56-K103 HydrophobicContact CE-CD 4.1Å; M56-K103 HydrophobicContact SD-CD 3.31Å; M56-K103 WeakPolarHBondContact SD-CD 3.39Å
57L95.4Very high95.7Very high4 Ų421.5 Ų21.52%0.02111%0.109CC..Hα-helixtrans-66.5-37179.6-61.4179000112V53 A60 S61 Y97 F116 L120 L156 L159V53-L57 HydrophobicContact CG1-CD1 4Å; V53-L57 HydrophobicContact CG1-CG 4.46Å; V53-L57 WeakPolarHBondContact O-CG 3.38Å; V53-L57 PolarHBondContact O-N 3.33Å; L57-A60 PolarHBondContact O-N 2.81Å; L57-S61 WeakPolarHBondContact O-CB 3.41Å; L57-S61 PolarHBondContact O-N 3.28Å; L57-S61 PolarHBondContact O-OG 3.3Å; L57-Y97 HydrophobicContact CD2-CD1 3.61Å; L57-Y97 HydrophobicContact CD2-CE1 4.39Å; L57-Y97 HydrophobicContact CD2-CG 4.43Å; L57-F116 HydrophobicContact CD1-CD2 4.04Å; L57-F116 HydrophobicContact CD1-CE2 3.46Å; L57-F116 VanDerWaalsContact CD1-CE2 3.46Å; L57-F116 HydrophobicContact CD1-CZ 4.34Å; L57-F116 HydrophobicContact CD2-CE2 4.11Å; L57-F116 HydrophobicContact CD2-CZ 4.35Å; L57-F116 HydrophobicContact CG-CE2 4.34Å; L57-L120 HydrophobicContact CD1-CD1 3.85Å; L57-L156 HydrophobicContact CB-CD1 3.94Å; L57-L156 HydrophobicContact CD1-CD1 4.45Å; L57-L159 HydrophobicContact CD1-CD2 3.25Å
58H93.1Very high95.7Very high29 Ų2924.6 Ų24.613%0.13412%0.123CC..Hα-helixtrans-59.3-54.1175.2179.637.2000111.6R29 T54 E55 M56 A60 S61 L62 L156R29-H58 VanDerWaalsContact CZ-ND1 3.26Å; R29-H58 PolarHBondContact NH1-CE1 3.02Å; R29-H58 PolarHBondContact NH1-ND1 3.48Å; R29-H58 PolarHBondContact NH1-NE2 3.38Å; T54-H58 VanDerWaalsContact O-CB 3.27Å; T54-H58 WeakPolarHBondContact O-CB 3.46Å; T54-H58 PolarHBondContact O-N 3.29Å; E55-H58 PolarHBondContact O-N 3.1Å; M56-H58 VanDerWaalsContact C-N 3.34Å; M56-H58 PolarHBondContact O-N 3Å; H58-A60 VanDerWaalsContact C-N 3.34Å; H58-A60 PolarHBondContact O-N 3.32Å; H58-S61 PolarHBondContact O-N 3.38Å; H58-S61 PolarHBondContact O-OG 3.25Å; H58-L62 WeakPolarHBondContact O-CG 3.35Å; H58-L62 PolarHBondContact O-N 3.23Å; H58-L156 HydrophobicContact CB-CD2 3.67Å
59N94.3Very high95.6Very high12 Ų1221.1 Ų21.16%0.06411%0.107CC..Hα-helixtrans-69-35.2-176.9-70.1-66.6000111.3Y17 L20 L21 E55 M56 L62 L63 R75Y17-N59 HydrophobicContact CD2-CB 4.36Å; Y17-N59 HydrophobicContact CE2-CB 3.54Å; L20-N59 HydrophobicContact CD2-CB 3.91Å; L20-N59 WeakPolarHBondContact CD2-O 3.28Å; L21-N59 HydrophobicContact CD2-CB 4.23Å; E55-N59 PolarHBondContact O-N 2.94Å; E55-N59 PolarHBondContact O-ND2 3.16Å; M56-N59 PolarHBondContact O-N 3.18Å; N59-L62 PolarHBondContact O-N 2.68Å; N59-L63 PolarHBondContact O-N 3.45Å; N59-R75 PolarHBondContact OD1-NH2 3.05Å
60A96.8Very high95.4Very high0 Ų024.6 Ų24.60%013%0.125CC..Hα-helixtrans-62.3-41.4171.800000112.1M56 L57 H58 L62 L63 I64 A93 V96 Y97M56-A60 VanDerWaalsContact O-CB 3.28Å; M56-A60 WeakPolarHBondContact O-CB 3.22Å; M56-A60 PolarHBondContact O-N 3.02Å; L57-A60 PolarHBondContact O-N 2.81Å; H58-A60 VanDerWaalsContact C-N 3.34Å; H58-A60 PolarHBondContact O-N 3.32Å; A60-L62 VanDerWaalsContact C-N 3.34Å; A60-L62 PolarHBondContact O-N 2.95Å; A60-L63 WeakPolarHBondContact O-CB 3.45Å; A60-L63 PolarHBondContact O-N 3.47Å; A60-I64 PolarHBondContact O-N 3.49Å; A60-A93 HydrophobicContact CB-CB 4.46Å; A60-V96 HydrophobicContact CB-CB 4.01Å; A60-V96 HydrophobicContact CB-CG1 3.85Å; A60-Y97 HydrophobicContact CB-CD1 3.58Å; A60-Y97 HydrophobicContact CB-CE1 3.45Å; A60-Y97 VanDerWaalsContact CB-CE1 3.45Å
61S95.4Very high95.2Very high23 Ų2324.7 Ų24.716%0.16113%0.126CC..Hα-helixtrans-63.6-37.6175.968.40000112.8L57 H58 L63 I64 D65 Y97L57-S61 WeakPolarHBondContact O-CB 3.41Å; L57-S61 PolarHBondContact O-N 3.28Å; L57-S61 PolarHBondContact O-OG 3.3Å; H58-S61 PolarHBondContact O-N 3.38Å; H58-S61 PolarHBondContact O-OG 3.25Å; S61-L63 VanDerWaalsContact C-N 3.32Å; S61-L63 PolarHBondContact O-N 2.89Å; S61-I64 PolarHBondContact O-N 3.41Å; S61-D65 WeakPolarHBondContact O-CB 3.32Å; S61-D65 PolarHBondContact O-N 3.23Å; S61-Y97 WeakPolarHBondContact CA-OH 3.33Å
62L94.4Very high95Very high17 Ų1728 Ų289%0.08914%0.14CC..Hα-helixtrans-62.9-37.8175.3-69.1176.1000112.4L20 H58 N59 A60 I64 D66L20-L62 HydrophobicContact CD2-CB 4.1Å; H58-L62 WeakPolarHBondContact O-CG 3.35Å; H58-L62 PolarHBondContact O-N 3.23Å; N59-L62 PolarHBondContact O-N 2.68Å; A60-L62 VanDerWaalsContact C-N 3.34Å; A60-L62 PolarHBondContact O-N 2.95Å; L62-I64 VanDerWaalsContact C-N 3.3Å; L62-I64 PolarHBondContact O-N 3.28Å; L62-D66 WeakPolarHBondContact O-CB 3.24Å; L62-D66 PolarHBondContact O-N 2.96Å
63L97.6Very high94.8Very high2 Ų227.4 Ų27.41%0.0114%0.138CC..Hα-helixtrans-62.7-37.9176.4-68.6175.7000112.4Y17 L20 N59 A60 S61 I67 A80 V89 A93Y17-L63 HydrophobicContact CD2-CD1 4.13Å; L20-L63 HydrophobicContact CB-CD2 4.06Å; L20-L63 HydrophobicContact CD2-CD2 3.77Å; L20-L63 HydrophobicContact CD2-CG 3.78Å; L20-L63 HydrophobicContact CG-CD2 4.46Å; N59-L63 PolarHBondContact O-N 3.45Å; A60-L63 WeakPolarHBondContact O-CB 3.45Å; A60-L63 PolarHBondContact O-N 3.47Å; S61-L63 VanDerWaalsContact C-N 3.32Å; S61-L63 PolarHBondContact O-N 2.89Å; L63-I67 WeakPolarHBondContact O-CD1 3.22Å; L63-I67 WeakPolarHBondContact O-CG1 3.47Å; L63-A80 HydrophobicContact CD2-CB 3.54Å; L63-V89 HydrophobicContact CB-CG1 3.82Å; L63-V89 HydrophobicContact CD1-CG1 4.45Å; L63-V89 HydrophobicContact CD2-CG1 3.97Å; L63-V89 HydrophobicContact CG-CG1 4.3Å; L63-A93 HydrophobicContact CB-CB 3.83Å; L63-A93 HydrophobicContact CD1-CB 3.99Å
64I98.3Very high94.5Very high22 Ų2228.7 Ų28.711%0.11314%0.143CC..Hα-helixtrans-75.6-47.4177.4-65.3-61.8000110.6A60 S61 L62 D66 I67 E68 I90 A93 Y97A60-I64 PolarHBondContact O-N 3.49Å; S61-I64 PolarHBondContact O-N 3.41Å; L62-I64 VanDerWaalsContact C-N 3.3Å; L62-I64 PolarHBondContact O-N 3.28Å; I64-D66 PolarHBondContact O-N 3.11Å; I64-I67 WeakPolarHBondContact O-CA 3.42Å; I64-I67 WeakPolarHBondContact O-CB 3.33Å; I64-I67 PolarHBondContact O-N 3.44Å; I64-E68 VanDerWaalsContact CG2-CD 3.45Å; I64-E68 HydrophobicContact CG2-CG 4.03Å; I64-E68 WeakPolarHBondContact CG2-OE1 3.44Å; I64-E68 WeakPolarHBondContact O-CG 3.16Å; I64-E68 PolarHBondContact O-N 3.4Å; I64-I90 HydrophobicContact CD1-CB 4.48Å; I64-I90 HydrophobicContact CD1-CG1 4.36Å; I64-A93 HydrophobicContact CD1-CB 3.69Å; I64-A93 HydrophobicContact CG1-CB 3.63Å; I64-Y97 HydrophobicContact CG1-CE2 4.46Å
65D95.4Very high94.1Very high31 Ų3130.5 Ų30.517%0.16615%0.149CC..Hα-helixtrans-57.1-48.6179.8-168.170.8000110.8S61 I67 E68 D69 Q127 K152S61-D65 WeakPolarHBondContact O-CB 3.32Å; S61-D65 PolarHBondContact O-N 3.23Å; D65-I67 PolarHBondContact O-N 2.92Å; D65-I67 VanDerWaalsContact O-N 3.11Å; D65-E68 PolarHBondContact O-N 3.35Å; D65-D69 WeakPolarHBondContact O-CB 3.38Å; D65-D69 PolarHBondContact O-N 3.49Å; D65-Q127 PolarHBondContact OD1-NE2 3.09Å; D65-K152 IonicContact OD1-NZ 2.98Å; D65-K152 PolarHBondContact OD1-NZ 3.05Å
66D96.1Very high93.8Very high3 Ų329.2 Ų29.22%0.01615%0.153CC..Hα-helixtrans-58.9-29.6177.2-69.9-23.5000112.1L62 I64 N70 S71 R74 V79 H81L62-D66 WeakPolarHBondContact O-CB 3.24Å; L62-D66 PolarHBondContact O-N 2.96Å; I64-D66 PolarHBondContact O-N 3.11Å; D66-N70 PolarHBondContact O-N 3.33Å; D66-S71 PolarHBondContact O-N 2.97Å; D66-R74 IonicContact OD1-CZ 3.13Å; D66-R74 IonicContact OD1-NE 3.72Å; D66-R74 PolarHBondContact OD1-NE 3.03Å; D66-R74 IonicContact OD1-NH2 2.88Å; D66-R74 VanDerWaalsContact OD2-CD 3.32Å; D66-R74 WeakPolarHBondContact OD2-CD 3.32Å; D66-R74 IonicContact OD2-NE 3.86Å; D66-V79 HydrophobicContact CB-CB 4.34Å; D66-V79 HydrophobicContact CB-CG1 3.9Å; D66-H81 PolarHBondContact O-CE1 3.02Å
67I97.8Very high93.6Very high31 Ų3132.5 Ų32.516%0.15917%0.167CC..Hα-helixtrans-77.2-47.4174.6-67.6169.4000110.7L63 I64 D65 D69 N70 H81 I86 V89 I90L63-I67 WeakPolarHBondContact O-CD1 3.22Å; L63-I67 WeakPolarHBondContact O-CG1 3.47Å; I64-I67 WeakPolarHBondContact O-CA 3.42Å; I64-I67 WeakPolarHBondContact O-CB 3.33Å; I64-I67 PolarHBondContact O-N 3.44Å; D65-I67 PolarHBondContact O-N 2.92Å; D65-I67 VanDerWaalsContact O-N 3.11Å; I67-D69 PolarHBondContact O-N 3.19Å; I67-N70 PolarHBondContact O-N 3.41Å; I67-H81 HydrophobicContact CD1-CB 3.91Å; I67-H81 HydrophobicContact CG1-CB 3.6Å; I67-H81 WeakPolarHBondContact CG1-ND1 3.42Å; I67-I86 HydrophobicContact CD1-CG2 4.43Å; I67-I86 HydrophobicContact CG2-CG2 3.92Å; I67-V89 HydrophobicContact CD1-CB 3.87Å; I67-V89 HydrophobicContact CD1-CG1 3.73Å; I67-I90 HydrophobicContact CD1-CG1 3.75Å
68E97.4Very high93.6Very high70 Ų7035.1 Ų35.133%0.32718%0.184SC..Hα-helixtrans-61.7-32.3-179-71.8174.8159.700111.9I64 D65 Q127 I131 R134I64-E68 VanDerWaalsContact CG2-CD 3.45Å; I64-E68 HydrophobicContact CG2-CG 4.03Å; I64-E68 WeakPolarHBondContact CG2-OE1 3.44Å; I64-E68 WeakPolarHBondContact O-CG 3.16Å; I64-E68 PolarHBondContact O-N 3.4Å; D65-E68 PolarHBondContact O-N 3.35Å; E68-Q127 WeakPolarHBondContact OE2-CG 3.47Å; E68-Q127 PolarHBondContact OE2-NE2 3.29Å; E68-I131 HydrophobicContact CB-CD1 4.13Å; E68-I131 HydrophobicContact CG-CD1 4.17Å; E68-R134 PolarHBondContact O-NH1 3.07Å; E68-R134 PolarHBondContact O-NH2 3.27Å; E68-R134 VanDerWaalsContact O-NH2 3.11Å
69D93.8Very high93.7Very high8 Ų833.9 Ų33.94%0.04318%0.178CC..THydrogen-bonded Turntrans-92.7-9.1179.1-71.3-24.6000113.4D65 I67 S71 R134 E211D65-D69 WeakPolarHBondContact O-CB 3.38Å; D65-D69 PolarHBondContact O-N 3.49Å; I67-D69 PolarHBondContact O-N 3.19Å; D69-S71 PolarHBondContact O-N 2.9Å; D69-R134 IonicContact OD1-CZ 2.67Å; D69-R134 IonicContact OD1-NH1 2.77Å; D69-R134 PolarHBondContact OD1-NH1 2.95Å; D69-E211 HydrophobicContact CB-CG 4Å; D69-E211 WeakPolarHBondContact O-CG 3.22Å
70N93.1Very high93.9Very high98 Ų9833.5 Ų33.552%0.52418%0.177SC..THydrogen-bonded Turntrans56.734.2-175.2-178.942.4000112.5D66 I67 K72D66-N70 PolarHBondContact O-N 3.33Å; I67-N70 PolarHBondContact O-N 3.41Å; N70-K72 PolarHBondContact O-NZ 2.89Å; N70-K72 PolarHBondContact OD1-NZ 2.93Å; N70-K72 VanDerWaalsContact OD1-NZ 3.12Å
71S91.9Very high94Very high2 Ų234.6 Ų34.61%0.01418%0.182CC..  trans-61.3154179.5-47.90000111.2D66 D69 V79 E207 E211D66-S71 PolarHBondContact O-N 2.97Å; D69-S71 PolarHBondContact O-N 2.9Å; S71-V79 WeakPolarHBondContact O-CG2 3.41Å; S71-E207 WeakPolarHBondContact CA-OE1 3.47Å; S71-E207 VanDerWaalsContact CB-OE1 3.31Å; S71-E207 WeakPolarHBondContact CB-OE1 3.49Å; S71-E211 PolarHBondContact OG-OE1 3.31Å
72K91.5Very high94.1Very high82 Ų8237 Ų3736%0.35720%0.199SC..  trans-103.4-38.2-178.6-55.8-51.7179.3-153.50112.3N70 V79 E207 E240N70-K72 PolarHBondContact O-NZ 2.89Å; N70-K72 PolarHBondContact OD1-NZ 2.93Å; N70-K72 VanDerWaalsContact OD1-NZ 3.12Å; K72-V79 PolarHBondContact O-N 2.81Å; K72-E207 PolarHBondContact N-OE1 2.89Å; K72-E240 VanDerWaalsContact CE-OE1 3.29Å; K72-E240 WeakPolarHBondContact CE-OE1 3.29Å; K72-E240 IonicContact NZ-OE1 3.91Å
73L91.3Very high94.2Very high48 Ų4840.2 Ų40.225%0.25122%0.215SC..EExtended strand (participates in β ladder)trans-129.7145.2-174.8-61.8177.2000111.7F77L73-F77 CarbonylContact C-O 3.55Å; L73-F77 VanDerWaalsContact CA-O 3.26Å; L73-F77 WeakPolarHBondContact CA-O 3.44Å
74R89.8Confident94.2Very high26 Ų2643.3 Ų43.310%0.09823%0.227CC..EExtended strand (participates in β ladder)trans-129.8121.3169179.5106.7-54-100.82.9108.4L20 L23 D66 G76 F77 V79 N202L20-R74 HydrophobicContact CD1-CG 3.83Å; L23-R74 HydrophobicContact CD1-CG 4.49Å; D66-R74 IonicContact OD1-CZ 3.13Å; D66-R74 IonicContact OD1-NE 3.72Å; D66-R74 PolarHBondContact OD1-NE 3.03Å; D66-R74 IonicContact OD1-NH2 2.88Å; D66-R74 VanDerWaalsContact OD2-CD 3.32Å; D66-R74 WeakPolarHBondContact OD2-CD 3.32Å; D66-R74 IonicContact OD2-NE 3.86Å; R74-G76 PolarHBondContact O-N 3.08Å; R74-G76 VanDerWaalsContact O-N 3.17Å; R74-F77 PolarHBondContact N-O 3.25Å; R74-F77 PolarHBondContact O-N 3.07Å; R74-V79 HydrophobicContact CB-CG1 4.28Å; R74-N202 CarbonylContact C-O 3.55Å
75R85.4Confident94.2Very high46 Ų4643.6 Ų43.617%0.17424%0.236CC..THydrogen-bonded Turntrans55.530.7178.9-60.2168-178.3168.313.1112.7L23 P24 N59 F77 N202L23-R75 HydrophobicContact CB-CB 4.26Å; L23-R75 PolarHBondContact O-NH1 3.21Å; P24-R75 WeakPolarHBondContact O-CD 3.31Å; N59-R75 PolarHBondContact OD1-NH2 3.05Å; R75-F77 WeakPolarHBondContact O-CD2 3.3Å; R75-F77 VanDerWaalsContact O-CE2 3.31Å; R75-F77 WeakPolarHBondContact O-CE2 3.2Å; R75-N202 PolarHBondContact N-O 2.97Å
76G85.7Confident94.4Very high36 Ų3646.2 Ų46.237%0.37125%0.249SC..THydrogen-bonded Turntrans852.8-179.300000115R74 E201 N202R74-G76 PolarHBondContact O-N 3.08Å; R74-G76 VanDerWaalsContact O-N 3.17Å; G76-E201 WeakPolarHBondContact CA-O 3.4Å; G76-N202 PolarHBondContact N-O 2.86Å
77F91.2Very high94.5Very high93 Ų9351 Ų5141%0.40828%0.28SS..EExtended strand (participates in β ladder)trans-116.3156.9179.9-60.1-92.2000111.1L23 L73 R74 R75 V79L23-F77 HydrophobicContact CB-CD2 4.35Å; L23-F77 HydrophobicContact CD1-CB 3.93Å; L23-F77 HydrophobicContact CD1-CD2 4.24Å; L23-F77 HydrophobicContact CD1-CG 4.38Å; L23-F77 HydrophobicContact CD2-CB 3.81Å; L23-F77 HydrophobicContact CD2-CD1 4.1Å; L23-F77 HydrophobicContact CD2-CD2 3.56Å; L23-F77 HydrophobicContact CD2-CE2 4.14Å; L23-F77 HydrophobicContact CD2-CG 3.54Å; L23-F77 HydrophobicContact CG-CD2 4.25Å; L73-F77 CarbonylContact C-O 3.55Å; L73-F77 VanDerWaalsContact CA-O 3.26Å; L73-F77 WeakPolarHBondContact CA-O 3.44Å; R74-F77 PolarHBondContact N-O 3.25Å; R74-F77 PolarHBondContact O-N 3.07Å; R75-F77 WeakPolarHBondContact O-CD2 3.3Å; R75-F77 VanDerWaalsContact O-CE2 3.31Å; R75-F77 WeakPolarHBondContact O-CE2 3.2Å; F77-V79 PolarHBondContact O-N 3.32Å
78P95Very high94.5Very high59 Ų5952.4 Ų52.438%0.38329%0.293SS..EExtended strand (participates in β ladder)trans-54.4138174-24.334000111.8Y19 I83Y19-P78 VanDerWaalsContact CE1-O 3.32Å; Y19-P78 WeakPolarHBondContact CE1-O 3.48Å; Y19-P78 PolarHBondContact OH-O 3.31Å; P78-I83 HydrophobicContact CB-CD1 4.26Å; P78-I83 HydrophobicContact CB-CG1 4.34Å
79V96.4Very high94.6Very high2 Ų249.1 Ų49.11%0.01228%0.278CS..  trans-58.2147172.9-69.40000111.2D66 S71 K72 R74 F77 H81 S82D66-V79 HydrophobicContact CB-CB 4.34Å; D66-V79 HydrophobicContact CB-CG1 3.9Å; S71-V79 WeakPolarHBondContact O-CG2 3.41Å; K72-V79 PolarHBondContact O-N 2.81Å; R74-V79 HydrophobicContact CB-CG1 4.28Å; F77-V79 PolarHBondContact O-N 3.32Å; V79-H81 WeakPolarHBondContact CG2-CE1 3.38Å; V79-H81 PolarHBondContact O-N 3.23Å; V79-H81 VanDerWaalsContact O-N 3.14Å; V79-S82 PolarHBondContact O-N 2.88Å; V79-S82 VanDerWaalsContact O-N 3.1Å; V79-S82 PolarHBondContact O-OG 3.21Å
80A97.8Very high94.8Very high5 Ų551.9 Ų51.94%0.04129%0.292CS..Hα-helixtrans-57.9-35.9-174.500000112.5P16 Y19 L63 S82 I83 Y84 V89P16-A80 HydrophobicContact CB-CB 4.39Å; Y19-A80 HydrophobicContact CD1-CB 3.91Å; Y19-A80 HydrophobicContact CE1-CB 4.29Å; L63-A80 HydrophobicContact CD2-CB 3.54Å; A80-S82 VanDerWaalsContact C-N 3.27Å; A80-S82 PolarHBondContact O-N 3.44Å; A80-I83 PolarHBondContact O-N 2.98Å; A80-I83 VanDerWaalsContact O-N 3.12Å; A80-Y84 HydrophobicContact CB-CD2 4.49Å; A80-Y84 WeakPolarHBondContact O-CD2 3.39Å; A80-Y84 PolarHBondContact O-N 2.85Å; A80-V89 HydrophobicContact CB-CG1 4.25Å; A80-V89 HydrophobicContact CB-CG2 4.07Å
81H98.1Very high95.1Very high22 Ų2251.5 Ų51.510%0.10229%0.29CS..Hα-helixtrans-71-20.9-176.574.7-103.4000113.4D66 I67 V79 I83 G85 I86 V89D66-H81 PolarHBondContact O-CE1 3.02Å; I67-H81 HydrophobicContact CD1-CB 3.91Å; I67-H81 HydrophobicContact CG1-CB 3.6Å; I67-H81 WeakPolarHBondContact CG1-ND1 3.42Å; V79-H81 WeakPolarHBondContact CG2-CE1 3.38Å; V79-H81 PolarHBondContact O-N 3.23Å; V79-H81 VanDerWaalsContact O-N 3.14Å; H81-I83 VanDerWaalsContact C-N 3.29Å; H81-G85 CarbonylContact O-C 3.38Å; H81-G85 WeakPolarHBondContact O-CA 3.48Å; H81-G85 PolarHBondContact O-N 3.42Å; H81-I86 HydrophobicContact CB-CG1 4.2Å; H81-V89 HydrophobicContact CB-CB 4.14Å; H81-V89 HydrophobicContact CB-CG1 4.42Å; H81-V89 HydrophobicContact CB-CG2 4Å
82S97.4Very high95.4Very high74 Ų7451.4 Ų51.452%0.51729%0.289SS..Hα-helixtrans-77.1-18.2173.373.90000112.6V79 A80V79-S82 PolarHBondContact O-N 2.88Å; V79-S82 VanDerWaalsContact O-N 3.1Å; V79-S82 PolarHBondContact O-OG 3.21Å; A80-S82 VanDerWaalsContact C-N 3.27Å; A80-S82 PolarHBondContact O-N 3.44Å
83I97.7Very high95.7Very high84 Ų8447.5 Ų47.543%0.43127%0.272SS..Hα-helixtrans-96.5-51.6178.8-58.3175.2000110.5Y19 P78 A80 H81Y19-I83 HydrophobicContact CD2-CD1 4.28Å; Y19-I83 HydrophobicContact CE1-CD1 3.84Å; Y19-I83 HydrophobicContact CE2-CD1 3.56Å; Y19-I83 WeakPolarHBondContact OH-CD1 3.45Å; P78-I83 HydrophobicContact CB-CD1 4.26Å; P78-I83 HydrophobicContact CB-CG1 4.34Å; A80-I83 PolarHBondContact O-N 2.98Å; A80-I83 VanDerWaalsContact O-N 3.12Å; H81-I83 VanDerWaalsContact C-N 3.29Å
84Y97.8Very high96Very high67 Ų6748.3 Ų48.326%0.26328%0.277SS..Hα-helixtrans-99.1-6.2-170.6-61.8-76.9000113.9E15 P16 Y19 A80 S88E15-Y84 HydrophobicContact CG-CE1 3.83Å; E15-Y84 WeakPolarHBondContact OE1-CE1 3.36Å; E15-Y84 PolarHBondContact OE1-OH 3.02Å; P16-Y84 HydrophobicContact CB-CD2 4.1Å; P16-Y84 HydrophobicContact CB-CG 4.4Å; P16-Y84 HydrophobicContact CG-CD2 4.2Å; P16-Y84 HydrophobicContact CG-CG 4.01Å; Y19-Y84 HydrophobicContact CD1-CE2 4.27Å; Y19-Y84 HydrophobicContact CD2-CE2 4.39Å; Y19-Y84 AromaticContact CG-CE2 3.88Å; Y19-Y84 HydrophobicContact CG-CE2 3.88Å; A80-Y84 HydrophobicContact CB-CD2 4.49Å; A80-Y84 WeakPolarHBondContact O-CD2 3.39Å; A80-Y84 PolarHBondContact O-N 2.85Å; Y84-S88 VanDerWaalsContact O-CB 3.26Å; Y84-S88 WeakPolarHBondContact O-CB 3.47Å; Y84-S88 PolarHBondContact O-OG 3.44Å
85G98.2Very high96.4Very high29 Ų2950 Ų5030%0.29928%0.284SS..  trans81.7145.6-175.900000113.2H81 S88 V89H81-G85 CarbonylContact O-C 3.38Å; H81-G85 WeakPolarHBondContact O-CA 3.48Å; H81-G85 PolarHBondContact O-N 3.42Å; G85-S88 PolarHBondContact O-N 3.48Å; G85-V89 WeakPolarHBondContact O-CG2 3.27Å; G85-V89 PolarHBondContact O-N 3.19Å
86I98.6Very high97.1Very high85 Ų8547.9 Ų47.944%0.43628%0.275SS..Hα-helixtrans-50.5-49.1-179-63.1173.8000113I67 H81 S88 V89 I90I67-I86 HydrophobicContact CD1-CG2 4.43Å; I67-I86 HydrophobicContact CG2-CG2 3.92Å; H81-I86 HydrophobicContact CB-CG1 4.2Å; I86-S88 VanDerWaalsContact C-N 3.34Å; I86-S88 PolarHBondContact O-N 3.35Å; I86-V89 PolarHBondContact O-N 3.41Å; I86-I90 HydrophobicContact CG2-CD1 3.58Å; I86-I90 HydrophobicContact CG2-CG1 4.18Å; I86-I90 WeakPolarHBondContact O-CG1 3.32Å; I86-I90 PolarHBondContact O-N 2.99Å
87P98.6Very high97.7Very high103 Ų10347.5 Ų47.567%0.66926%0.263SS*.Hα-helixtrans-60.3-41.6-176.7-24.435.8000113.4N91P87-N91 WeakPolarHBondContact O-CB 3.36Å; P87-N91 PolarHBondContact O-N 3.45Å; P87-N91 VanDerWaalsContact O-N 3.14Å
88S98.1Very high98Very high62 Ų6249.8 Ų49.843%0.43427%0.273SS..Hα-helixtrans-64.5-42.5-179.9-51.80000111.4Y84 G85 I86 N91 S92Y84-S88 VanDerWaalsContact O-CB 3.26Å; Y84-S88 WeakPolarHBondContact O-CB 3.47Å; Y84-S88 PolarHBondContact O-OG 3.44Å; G85-S88 PolarHBondContact O-N 3.48Å; I86-S88 VanDerWaalsContact C-N 3.34Å; I86-S88 PolarHBondContact O-N 3.35Å; S88-N91 PolarHBondContact O-N 3.34Å; S88-S92 VanDerWaalsContact O-CB 3.3Å; S88-S92 WeakPolarHBondContact O-CB 3.26Å; S88-S92 PolarHBondContact O-N 3.04Å
89V98.6Very high98.1Very high1 Ų148.4 Ų48.41%0.00626%0.262CS..Hα-helixtrans-73.7-40.3-176.7-179.10000112P16 L63 I67 A80 H81 G85 I86 N91 S92 A93P16-V89 HydrophobicContact CB-CG2 3.89Å; P16-V89 HydrophobicContact CG-CG2 4.23Å; L63-V89 HydrophobicContact CB-CG1 3.82Å; L63-V89 HydrophobicContact CD1-CG1 4.45Å; L63-V89 HydrophobicContact CD2-CG1 3.97Å; L63-V89 HydrophobicContact CG-CG1 4.3Å; I67-V89 HydrophobicContact CD1-CB 3.87Å; I67-V89 HydrophobicContact CD1-CG1 3.73Å; A80-V89 HydrophobicContact CB-CG1 4.25Å; A80-V89 HydrophobicContact CB-CG2 4.07Å; H81-V89 HydrophobicContact CB-CB 4.14Å; H81-V89 HydrophobicContact CB-CG1 4.42Å; H81-V89 HydrophobicContact CB-CG2 4Å; G85-V89 WeakPolarHBondContact O-CG2 3.27Å; G85-V89 PolarHBondContact O-N 3.19Å; I86-V89 PolarHBondContact O-N 3.41Å; V89-N91 VanDerWaalsContact C-N 3.32Å; V89-N91 PolarHBondContact O-N 3.2Å; V89-S92 PolarHBondContact O-N 3.36Å; V89-A93 WeakPolarHBondContact O-CB 3.32Å; V89-A93 PolarHBondContact O-N 3.44Å
90I98.7Very high98.2Very high65 Ų6548.3 Ų48.333%0.33326%0.262SS..Hα-helixtrans-56.5-49.4172-69.1174.6000110.1I64 I67 I86 S92 A93 N94I64-I90 HydrophobicContact CD1-CB 4.48Å; I64-I90 HydrophobicContact CD1-CG1 4.36Å; I67-I90 HydrophobicContact CD1-CG1 3.75Å; I86-I90 HydrophobicContact CG2-CD1 3.58Å; I86-I90 HydrophobicContact CG2-CG1 4.18Å; I86-I90 WeakPolarHBondContact O-CG1 3.32Å; I86-I90 PolarHBondContact O-N 2.99Å; I90-S92 PolarHBondContact O-N 3Å; I90-A93 PolarHBondContact O-N 2.83Å; I90-N94 WeakPolarHBondContact O-CB 3.37Å; I90-N94 VanDerWaalsContact O-CG 3.26Å; I90-N94 PolarHBondContact O-N 3.42Å; I90-N94 PolarHBondContact O-ND2 2.75Å
91N98.4Very high98.2Very high90 Ų9050.3 Ų50.348%0.48127%0.271SS..Hα-helixtrans-63.7-43.1-179.9-173.981.3000111.9P87 S88 V89 Y95P87-N91 WeakPolarHBondContact O-CB 3.36Å; P87-N91 PolarHBondContact O-N 3.45Å; P87-N91 VanDerWaalsContact O-N 3.14Å; S88-N91 PolarHBondContact O-N 3.34Å; V89-N91 VanDerWaalsContact C-N 3.32Å; V89-N91 PolarHBondContact O-N 3.2Å; N91-Y95 VanDerWaalsContact O-CB 3.26Å; N91-Y95 WeakPolarHBondContact O-CB 3.22Å; N91-Y95 PolarHBondContact O-N 3.27Å
92S98.5Very high98.2Very high1 Ų155.1 Ų55.11%0.00729%0.294CS..Hα-helixtrans-60.8-47.9178.2-1710000112.1L13 S88 V89 I90 Y95 V96L13-S92 WeakPolarHBondContact O-CB 3.37Å; L13-S92 PolarHBondContact O-OG 3.17Å; S88-S92 VanDerWaalsContact O-CB 3.3Å; S88-S92 WeakPolarHBondContact O-CB 3.26Å; S88-S92 PolarHBondContact O-N 3.04Å; V89-S92 PolarHBondContact O-N 3.36Å; I90-S92 PolarHBondContact O-N 3Å; S92-Y95 PolarHBondContact O-N 2.98Å; S92-V96 WeakPolarHBondContact O-CG2 3.33Å; S92-V96 PolarHBondContact O-N 3.02Å
93A98.3Very high98.1Very high0 Ų054.3 Ų54.30%028%0.281CS..Hα-helixtrans-65-45.3179.900000112A60 L63 I64 V89 I90 Y95 V96 Y97A60-A93 HydrophobicContact CB-CB 4.46Å; L63-A93 HydrophobicContact CB-CB 3.83Å; L63-A93 HydrophobicContact CD1-CB 3.99Å; I64-A93 HydrophobicContact CD1-CB 3.69Å; I64-A93 HydrophobicContact CG1-CB 3.63Å; V89-A93 WeakPolarHBondContact O-CB 3.32Å; V89-A93 PolarHBondContact O-N 3.44Å; I90-A93 PolarHBondContact O-N 2.83Å; A93-Y95 VanDerWaalsContact C-N 3.31Å; A93-Y95 PolarHBondContact O-N 2.9Å; A93-V96 PolarHBondContact O-N 2.92Å; A93-V96 VanDerWaalsContact O-N 3.14Å; A93-Y97 PolarHBondContact O-N 3.24Å
94N98.4Very high98.1Very high65 Ų6550.3 Ų50.335%0.34826%0.261SS..Hα-helixtrans-62.9-38.9176.4-71.5-13.5000111.9I90 V96 Y97 F98I90-N94 WeakPolarHBondContact O-CB 3.37Å; I90-N94 VanDerWaalsContact O-CG 3.26Å; I90-N94 PolarHBondContact O-N 3.42Å; I90-N94 PolarHBondContact O-ND2 2.75Å; N94-V96 VanDerWaalsContact C-N 3.32Å; N94-V96 PolarHBondContact O-N 3Å; N94-Y97 WeakPolarHBondContact O-CB 3.17Å; N94-Y97 PolarHBondContact O-N 3.16Å; N94-F98 WeakPolarHBondContact O-CD2 3.49Å; N94-F98 PolarHBondContact O-N 3Å
95Y98.3Very high98.1Very high62 Ų6252.2 Ų52.224%0.24328%0.275CS..Hα-helixtrans-60.1-43.6173.8179.4-126.7000111.4D10 L13 L14 N91 S92 A93 Y97 F98 L99D10-Y95 PolarHBondContact OD1-OH 3.41Å; L13-Y95 HydrophobicContact CB-CD1 4Å; L13-Y95 HydrophobicContact CB-CE1 4.11Å; L13-Y95 HydrophobicContact CD1-CD1 4.39Å; L13-Y95 HydrophobicContact CD1-CE1 4.17Å; L14-Y95 HydrophobicContact CD2-CD1 3.95Å; L14-Y95 HydrophobicContact CD2-CE1 4.08Å; L14-Y95 HydrophobicContact CG-CD1 4.41Å; L14-Y95 HydrophobicContact CG-CE1 4.18Å; N91-Y95 VanDerWaalsContact O-CB 3.26Å; N91-Y95 WeakPolarHBondContact O-CB 3.22Å; N91-Y95 PolarHBondContact O-N 3.27Å; S92-Y95 PolarHBondContact O-N 2.98Å; A93-Y95 VanDerWaalsContact C-N 3.31Å; A93-Y95 PolarHBondContact O-N 2.9Å; Y95-Y97 VanDerWaalsContact C-N 3.33Å; Y95-Y97 PolarHBondContact O-N 3.11Å; Y95-F98 PolarHBondContact O-N 3.45Å; Y95-F98 VanDerWaalsContact O-N 3.14Å; Y95-L99 HydrophobicContact CD1-CD1 4.06Å; Y95-L99 HydrophobicContact CE1-CD1 3.69Å; Y95-L99 HydrophobicContact CE1-CG 4.28Å; Y95-L99 HydrophobicContact CE2-CD1 4.49Å; Y95-L99 HydrophobicContact CE2-CD2 4.16Å; Y95-L99 HydrophobicContact CE2-CG 4.19Å; Y95-L99 PolarHBondContact O-N 3.46Å
96V98.3Very high98.1Very high0 Ų055.6 Ų55.60%029%0.285CS..Hα-helixtrans-65.3-32.5176.1175.70000112.6L14 Y17 M56 A60 S92 A93 N94 F98 L99 G100L14-V96 HydrophobicContact CD2-CG2 3.54Å; Y17-V96 HydrophobicContact CD1-CG2 4.15Å; Y17-V96 HydrophobicContact CD2-CB 4.33Å; Y17-V96 HydrophobicContact CD2-CG1 4.06Å; Y17-V96 HydrophobicContact CD2-CG2 3.79Å; Y17-V96 HydrophobicContact CE2-CB 4.48Å; Y17-V96 HydrophobicContact CE2-CG1 3.71Å; Y17-V96 HydrophobicContact CE2-CG2 4.26Å; Y17-V96 HydrophobicContact CG-CG2 3.74Å; M56-V96 HydrophobicContact CB-CG1 4.02Å; M56-V96 HydrophobicContact CE-CG1 4.07Å; M56-V96 HydrophobicContact CG-CG1 4.49Å; A60-V96 HydrophobicContact CB-CB 4.01Å; A60-V96 HydrophobicContact CB-CG1 3.85Å; S92-V96 WeakPolarHBondContact O-CG2 3.33Å; S92-V96 PolarHBondContact O-N 3.02Å; A93-V96 PolarHBondContact O-N 2.92Å; A93-V96 VanDerWaalsContact O-N 3.14Å; N94-V96 VanDerWaalsContact C-N 3.32Å; N94-V96 PolarHBondContact O-N 3Å; V96-F98 VanDerWaalsContact C-N 3.3Å; V96-F98 PolarHBondContact O-N 3.45Å; V96-L99 PolarHBondContact O-N 3.1Å; V96-G100 PolarHBondContact O-N 3.44Å
97Y98.3Very high98Very high28 Ų2851.6 Ų51.611%0.1127%0.265CS..Hα-helixtrans-58.2-42.8171.2-69.8-27.7000112.2L57 A60 S61 I64 A93 N94 Y95 G100 L101L57-Y97 HydrophobicContact CD2-CD1 3.61Å; L57-Y97 HydrophobicContact CD2-CE1 4.39Å; L57-Y97 HydrophobicContact CD2-CG 4.43Å; A60-Y97 HydrophobicContact CB-CD1 3.58Å; A60-Y97 HydrophobicContact CB-CE1 3.45Å; A60-Y97 VanDerWaalsContact CB-CE1 3.45Å; S61-Y97 WeakPolarHBondContact CA-OH 3.33Å; I64-Y97 HydrophobicContact CG1-CE2 4.46Å; A93-Y97 PolarHBondContact O-N 3.24Å; N94-Y97 WeakPolarHBondContact O-CB 3.17Å; N94-Y97 PolarHBondContact O-N 3.16Å; Y95-Y97 VanDerWaalsContact C-N 3.33Å; Y95-Y97 PolarHBondContact O-N 3.11Å; Y97-G100 PolarHBondContact O-N 2.63Å; Y97-L101 PolarHBondContact O-N 2.92Å
98F98.2Very high97.9Very high141 Ų14155 Ų5562%0.61827%0.271SS*.Hα-helixtrans-75.4-32.3178.3-66.1-66.1000113.2N94 Y95 V96 G100 L101 E102N94-F98 WeakPolarHBondContact O-CD2 3.49Å; N94-F98 PolarHBondContact O-N 3Å; Y95-F98 PolarHBondContact O-N 3.45Å; Y95-F98 VanDerWaalsContact O-N 3.14Å; V96-F98 VanDerWaalsContact C-N 3.3Å; V96-F98 PolarHBondContact O-N 3.45Å; F98-G100 VanDerWaalsContact C-N 3.25Å; F98-G100 PolarHBondContact O-N 3.22Å; F98-L101 WeakPolarHBondContact O-CB 3.28Å; F98-L101 PolarHBondContact O-N 2.98Å; F98-E102 PolarHBondContact O-N 3.31Å
99L97.8Very high97.9Very high30 Ų3054.6 Ų54.616%0.15726%0.263CS..Hα-helixtrans-63.7-34.2167.9-66.8177.1000111.5L14 M56 Y95 V96 E102 K103L14-L99 HydrophobicContact CD2-CD1 4.02Å; M56-L99 HydrophobicContact CE-CB 3.5Å; Y95-L99 HydrophobicContact CD1-CD1 4.06Å; Y95-L99 HydrophobicContact CE1-CD1 3.69Å; Y95-L99 HydrophobicContact CE1-CG 4.28Å; Y95-L99 HydrophobicContact CE2-CD1 4.49Å; Y95-L99 HydrophobicContact CE2-CD2 4.16Å; Y95-L99 HydrophobicContact CE2-CG 4.19Å; Y95-L99 PolarHBondContact O-N 3.46Å; V96-L99 PolarHBondContact O-N 3.1Å; L99-E102 PolarHBondContact O-N 3.22Å; L99-K103 PolarHBondContact O-N 3.29Å
100G97.6Very high97.7Very high0 Ų059.7 Ų59.70%030%0.296CS..Hα-helixtrans-61.7-45.7171.200000111.8V96 Y97 F98 K103 V104V96-G100 PolarHBondContact O-N 3.44Å; Y97-G100 PolarHBondContact O-N 2.63Å; F98-G100 VanDerWaalsContact C-N 3.25Å; F98-G100 PolarHBondContact O-N 3.22Å; G100-K103 PolarHBondContact O-N 3.21Å; G100-V104 WeakPolarHBondContact O-CG2 3.27Å; G100-V104 PolarHBondContact O-N 3.45Å
101L98Very high97.7Very high47 Ų4760.1 Ų60.125%0.24630%0.297CS..Hα-helixtrans-60.8-44.5173.5175.859.6000112Y97 F98 K103 V104 L105 V113 F116Y97-L101 PolarHBondContact O-N 2.92Å; F98-L101 WeakPolarHBondContact O-CB 3.28Å; F98-L101 PolarHBondContact O-N 2.98Å; L101-K103 VanDerWaalsContact C-N 3.31Å; L101-K103 PolarHBondContact O-N 3.28Å; L101-V104 WeakPolarHBondContact O-CB 3.46Å; L101-V104 PolarHBondContact O-N 3.39Å; L101-V104 VanDerWaalsContact O-N 3.12Å; L101-L105 PolarHBondContact O-N 3.17Å; L101-V113 HydrophobicContact CD1-CG1 4.21Å; L101-V113 HydrophobicContact CD1-CG2 4.44Å; L101-F116 HydrophobicContact CB-CE1 3.76Å; L101-F116 HydrophobicContact CB-CE2 4.42Å; L101-F116 HydrophobicContact CB-CZ 3.69Å; L101-F116 HydrophobicContact CD1-CD1 3.74Å; L101-F116 HydrophobicContact CD1-CE1 3.79Å; L101-F116 HydrophobicContact CD1-CG 4.35Å; L101-F116 HydrophobicContact CD1-CZ 4.42Å; L101-F116 HydrophobicContact CD2-CE1 4.49Å; L101-F116 HydrophobicContact CG-CE1 4.2Å
102E97.6Very high97.7Very high124 Ų12456 Ų5658%0.57927%0.274SS*.Hα-helixtrans-56.9-45175.9-176.6-179.3-129.500111.2F98 L99 V104 L105F98-E102 PolarHBondContact O-N 3.31Å; L99-E102 PolarHBondContact O-N 3.22Å; E102-V104 PolarHBondContact O-N 2.97Å; E102-L105 WeakPolarHBondContact O-CB 3.38Å; E102-L105 PolarHBondContact O-N 3.17Å
103K97.1Very high97.7Very high57 Ų5758.4 Ų58.425%0.24829%0.289CS..Hα-helixtrans-64-36.5174.6-94.5163.6175-102.60113.6E52 V53 M56 L99 G100 L101 L105 I106E52-K103 IonicContact OE2-NZ 2.56Å; E52-K103 PolarHBondContact OE2-NZ 2.85Å; V53-K103 HydrophobicContact CG2-CB 3.59Å; M56-K103 HydrophobicContact CE-CD 4.1Å; M56-K103 HydrophobicContact SD-CD 3.31Å; M56-K103 WeakPolarHBondContact SD-CD 3.39Å; L99-K103 PolarHBondContact O-N 3.29Å; G100-K103 PolarHBondContact O-N 3.21Å; L101-K103 VanDerWaalsContact C-N 3.31Å; L101-K103 PolarHBondContact O-N 3.28Å; K103-L105 PolarHBondContact O-N 3.46Å; K103-I106 HydrophobicContact CG-CD1 4.19Å; K103-I106 WeakPolarHBondContact O-CB 3.36Å; K103-I106 PolarHBondContact O-N 3.46Å; K103-I106 VanDerWaalsContact O-N 3.16Å
104V97.8Very high97.6Very high0 Ų066.5 Ų66.50%032%0.32CS..Hα-helixtrans-60.9-34.1174.6169.10000111.5V53 G100 L101 E102 I106 L107 A112 F116 L163V53-V104 HydrophobicContact CB-CG2 4.27Å; V53-V104 HydrophobicContact CG1-CG2 3.53Å; V53-V104 HydrophobicContact CG2-CG2 3.76Å; G100-V104 WeakPolarHBondContact O-CG2 3.27Å; G100-V104 PolarHBondContact O-N 3.45Å; L101-V104 WeakPolarHBondContact O-CB 3.46Å; L101-V104 PolarHBondContact O-N 3.39Å; L101-V104 VanDerWaalsContact O-N 3.12Å; E102-V104 PolarHBondContact O-N 2.97Å; V104-I106 PolarHBondContact O-N 3.34Å; V104-L107 VanDerWaalsContact O-CB 3.26Å; V104-L107 WeakPolarHBondContact O-CB 3.34Å; V104-L107 PolarHBondContact O-N 3.12Å; V104-L107 VanDerWaalsContact O-N 3.11Å; V104-A112 HydrophobicContact CG1-CB 3.8Å; V104-F116 HydrophobicContact CG1-CB 4.26Å; V104-F116 HydrophobicContact CG2-CD2 3.71Å; V104-F116 HydrophobicContact CG2-CE2 4.25Å; V104-F116 HydrophobicContact CG2-CG 4.37Å; V104-L163 HydrophobicContact CG1-CD2 4.5Å; V104-L163 HydrophobicContact CG2-CD1 4.36Å
105L97.5Very high97.6Very high106 Ų10664.2 Ų64.256%0.55531%0.308SS*.Hα-helixtrans-63.6-28.1178.1-66168.2000112.8L101 E102 K103 L107 E108 V113L101-L105 PolarHBondContact O-N 3.17Å; E102-L105 WeakPolarHBondContact O-CB 3.38Å; E102-L105 PolarHBondContact O-N 3.17Å; K103-L105 PolarHBondContact O-N 3.46Å; L105-L107 PolarHBondContact O-N 3.16Å; L105-E108 PolarHBondContact O-N 3.28Å; L105-E108 VanDerWaalsContact O-N 3.1Å; L105-V113 HydrophobicContact CD2-CG2 3.44Å; L105-V113 VanDerWaalsContact CD2-CG2 3.44Å; L105-V113 HydrophobicContact CG-CG2 4.44Å
106I96.8Very high97.5Very high100 Ų10061.8 Ų61.851%0.51330%0.299SS..THydrogen-bonded Turntrans-64-21.8176.5-55.4173.3000111.7K103 V104 E108K103-I106 HydrophobicContact CG-CD1 4.19Å; K103-I106 WeakPolarHBondContact O-CB 3.36Å; K103-I106 PolarHBondContact O-N 3.46Å; K103-I106 VanDerWaalsContact O-N 3.16Å; V104-I106 PolarHBondContact O-N 3.34Å; I106-E108 PolarHBondContact O-N 2.83Å
107L96.5Very high97.5Very high2 Ų265 Ų651%0.0132%0.318CS..THydrogen-bonded Turntrans-64.9-22176.2-67.5173.8000112.3K46 V49 I50 V104 L105 H109 L163 F167K46-L107 HydrophobicContact CB-CD2 4.27Å; K46-L107 HydrophobicContact CD-CD2 3.94Å; K46-L107 PolarHBondContact NZ-O 3.38Å; V49-L107 HydrophobicContact CB-CD2 3.84Å; V49-L107 HydrophobicContact CG1-CD2 3.65Å; V49-L107 HydrophobicContact CG1-CG 3.85Å; I50-L107 HydrophobicContact CG1-CD1 3.97Å; I50-L107 HydrophobicContact CG1-CD2 4.14Å; V104-L107 VanDerWaalsContact O-CB 3.26Å; V104-L107 WeakPolarHBondContact O-CB 3.34Å; V104-L107 PolarHBondContact O-N 3.12Å; V104-L107 VanDerWaalsContact O-N 3.11Å; L105-L107 PolarHBondContact O-N 3.16Å; L107-H109 PolarHBondContact O-N 3.41Å; L107-H109 VanDerWaalsContact O-N 3.16Å; L107-L163 HydrophobicContact CD1-CD1 4.4Å; L107-L163 HydrophobicContact CD1-CD2 4.18Å; L107-F167 HydrophobicContact CB-CE2 4.15Å; L107-F167 HydrophobicContact CB-CZ 3.87Å; L107-F167 HydrophobicContact CD1-CE2 4.32Å; L107-F167 HydrophobicContact CD2-CE2 4.1Å; L107-F167 HydrophobicContact CD2-CZ 4.31Å; L107-F167 HydrophobicContact CG-CE2 4.43Å; L107-F167 WeakPolarHBondContact O-CZ 3.26Å
108E96.6Very high97.4Very high173 Ų17369.4 Ų69.481%0.80834%0.335SS*.  trans55.127.2178-64.7-177.2168.500114.2L105 I106L105-E108 PolarHBondContact O-N 3.28Å; L105-E108 VanDerWaalsContact O-N 3.1Å; I106-E108 PolarHBondContact O-N 2.83Å
109H97.8Very high97.2Very high54 Ų5463.5 Ų63.525%0.2531%0.309CS..  trans-103.4129.7175.6-171.7-71.3000110.7L107 E111 A112 F167L107-H109 PolarHBondContact O-N 3.41Å; L107-H109 VanDerWaalsContact O-N 3.16Å; H109-E111 VanDerWaalsContact C-N 3.27Å; H109-E111 PolarHBondContact ND1-N 3.24Å; H109-E111 VanDerWaalsContact ND1-N 3.14Å; H109-E111 PolarHBondContact O-N 3.37Å; H109-A112 HydrophobicContact CB-CB 4.21Å; H109-A112 VanDerWaalsContact O-CB 3.29Å; H109-A112 WeakPolarHBondContact O-CB 3.47Å; H109-A112 PolarHBondContact O-N 3.41Å; H109-F167 HydrophobicContact CB-CE1 4.09Å; H109-F167 HydrophobicContact CB-CE2 4.3Å; H109-F167 HydrophobicContact CB-CZ 3.56Å
110P96Very high97.2Very high109 Ų10963.4 Ų63.471%0.70831%0.309SS*.THydrogen-bonded Turntrans-59.1-34.7-172.721.5-33.5000113.6
111E98Very high97.1Very high74 Ų7467.7 Ų67.735%0.34633%0.331SS..THydrogen-bonded Turntrans-84.4-6.8178.5-60.9-58.7112.200114.6H109 V113 R114 V115 L166H109-E111 VanDerWaalsContact C-N 3.27Å; H109-E111 PolarHBondContact ND1-N 3.24Å; H109-E111 VanDerWaalsContact ND1-N 3.14Å; H109-E111 PolarHBondContact O-N 3.37Å; E111-V113 PolarHBondContact O-N 3.33Å; E111-R114 WeakPolarHBondContact O-CB 3.4Å; E111-R114 PolarHBondContact O-N 3.34Å; E111-R114 VanDerWaalsContact O-N 3.12Å; E111-R114 WeakPolarHBondContact OE2-CD 3.43Å; E111-R114 IonicContact OE2-CZ 3.85Å; E111-R114 IonicContact OE2-NE 2.64Å; E111-R114 IonicContact OE2-NH1 3.57Å; E111-R114 PolarHBondContact OE2-NH1 3.32Å; E111-V115 WeakPolarHBondContact O-CG2 3.41Å; E111-V115 PolarHBondContact O-N 2.96Å; E111-L166 HydrophobicContact CB-CD1 4.38Å; E111-L166 HydrophobicContact CB-CD2 3.96Å
112A97.9Very high97Very high2 Ų267.6 Ų67.62%0.01733%0.329CS..Hα-helixtrans-62.1-45.6-172.300000112.4V104 H109 R114 V115 F116 L163 L166V104-A112 HydrophobicContact CG1-CB 3.8Å; H109-A112 HydrophobicContact CB-CB 4.21Å; H109-A112 VanDerWaalsContact O-CB 3.29Å; H109-A112 WeakPolarHBondContact O-CB 3.47Å; H109-A112 PolarHBondContact O-N 3.41Å; A112-R114 VanDerWaalsContact C-N 3.28Å; A112-R114 PolarHBondContact O-N 3.04Å; A112-V115 PolarHBondContact O-N 3.03Å; A112-F116 WeakPolarHBondContact O-CB 3.38Å; A112-F116 PolarHBondContact O-N 3.44Å; A112-L163 HydrophobicContact CB-CD2 4.05Å; A112-L166 HydrophobicContact CB-CD1 4.1Å
113V98Very high96.8Very high52 Ų5262.8 Ų62.832%0.31531%0.307SS..Hα-helixtrans-64.3-35.2176.6177.80000111.4L101 L105 E111 F116 T117L101-V113 HydrophobicContact CD1-CG1 4.21Å; L101-V113 HydrophobicContact CD1-CG2 4.44Å; L105-V113 HydrophobicContact CD2-CG2 3.44Å; L105-V113 VanDerWaalsContact CD2-CG2 3.44Å; L105-V113 HydrophobicContact CG-CG2 4.44Å; E111-V113 PolarHBondContact O-N 3.33Å; V113-F116 PolarHBondContact O-N 2.99Å; V113-T117 VanDerWaalsContact O-CB 3.31Å; V113-T117 WeakPolarHBondContact O-CB 3.45Å; V113-T117 PolarHBondContact O-N 3.28Å; V113-T117 PolarHBondContact O-OG1 2.96Å
114R97.9Very high96.8Very high171 Ų17164.9 Ų64.965%0.64532%0.318SS*.Hα-helixtrans-67.9-43.3177.7-170.7-172.4-178.7-175.40.6111.3E111 A112 T117 R118E111-R114 WeakPolarHBondContact O-CB 3.4Å; E111-R114 PolarHBondContact O-N 3.34Å; E111-R114 VanDerWaalsContact O-N 3.12Å; E111-R114 WeakPolarHBondContact OE2-CD 3.43Å; E111-R114 IonicContact OE2-CZ 3.85Å; E111-R114 IonicContact OE2-NE 2.64Å; E111-R114 IonicContact OE2-NH1 3.57Å; E111-R114 PolarHBondContact OE2-NH1 3.32Å; A112-R114 VanDerWaalsContact C-N 3.28Å; A112-R114 PolarHBondContact O-N 3.04Å; R114-T117 PolarHBondContact O-N 3.09Å; R114-R118 WeakPolarHBondContact O-CB 3.45Å; R114-R118 PolarHBondContact O-N 2.92Å
115V97Very high96.8Very high16 Ų1671 Ų7110%0.09734%0.341CS..Hα-helixtrans-60.6-50.8173.5173.60000109.9E111 A112 T117 R118 Q119 L159 L163 L166E111-V115 WeakPolarHBondContact O-CG2 3.41Å; E111-V115 PolarHBondContact O-N 2.96Å; A112-V115 PolarHBondContact O-N 3.03Å; V115-T117 PolarHBondContact O-N 3.28Å; V115-R118 PolarHBondContact O-N 2.72Å; V115-Q119 HydrophobicContact CG1-CG 4.29Å; V115-Q119 VanDerWaalsContact O-CG 3.25Å; V115-Q119 WeakPolarHBondContact O-CG 3.47Å; V115-Q119 PolarHBondContact O-N 2.98Å; V115-L159 HydrophobicContact CG1-CD1 4.2Å; V115-L163 HydrophobicContact CB-CD2 4.21Å; V115-L163 HydrophobicContact CG1-CD2 4.15Å; V115-L163 HydrophobicContact CG1-CG 4.22Å; V115-L166 HydrophobicContact CG2-CD1 4.2Å; V115-L166 HydrophobicContact CG2-CD2 4.4Å
116F97.5Very high96.7Very high11 Ų1166 Ų665%0.04832%0.315CS..Hα-helixtrans-52-53.9176177.4-89.5000112.5L57 L101 V104 A112 V113 R118 Q119 L120 L159L57-F116 HydrophobicContact CD1-CD2 4.04Å; L57-F116 HydrophobicContact CD1-CE2 3.46Å; L57-F116 VanDerWaalsContact CD1-CE2 3.46Å; L57-F116 HydrophobicContact CD1-CZ 4.34Å; L57-F116 HydrophobicContact CD2-CE2 4.11Å; L57-F116 HydrophobicContact CD2-CZ 4.35Å; L57-F116 HydrophobicContact CG-CE2 4.34Å; L101-F116 HydrophobicContact CB-CE1 3.76Å; L101-F116 HydrophobicContact CB-CE2 4.42Å; L101-F116 HydrophobicContact CB-CZ 3.69Å; L101-F116 HydrophobicContact CD1-CD1 3.74Å; L101-F116 HydrophobicContact CD1-CE1 3.79Å; L101-F116 HydrophobicContact CD1-CG 4.35Å; L101-F116 HydrophobicContact CD1-CZ 4.42Å; L101-F116 HydrophobicContact CD2-CE1 4.49Å; L101-F116 HydrophobicContact CG-CE1 4.2Å; V104-F116 HydrophobicContact CG1-CB 4.26Å; V104-F116 HydrophobicContact CG2-CD2 3.71Å; V104-F116 HydrophobicContact CG2-CE2 4.25Å; V104-F116 HydrophobicContact CG2-CG 4.37Å; A112-F116 WeakPolarHBondContact O-CB 3.38Å; A112-F116 PolarHBondContact O-N 3.44Å; V113-F116 PolarHBondContact O-N 2.99Å; F116-R118 PolarHBondContact O-N 3.33Å; F116-Q119 PolarHBondContact O-N 3.03Å; F116-L120 HydrophobicContact CD1-CD2 4.16Å; F116-L120 HydrophobicContact CD2-CD1 4.3Å; F116-L120 HydrophobicContact CE1-CD2 3.42Å; F116-L120 VanDerWaalsContact CE1-CD2 3.42Å; F116-L120 HydrophobicContact CE2-CD1 4.19Å; F116-L120 HydrophobicContact CE2-CD2 4.05Å; F116-L120 HydrophobicContact CZ-CD1 4.32Å; F116-L120 HydrophobicContact CZ-CD2 3.36Å; F116-L120 HydrophobicContact CZ-CG 4.48Å; F116-L120 PolarHBondContact O-N 2.82Å; F116-L159 HydrophobicContact CB-CD1 4.26Å; F116-L159 HydrophobicContact CD2-CD1 4.39Å; F116-L159 HydrophobicContact CD2-CD2 4.35Å
117T97.6Very high96.7Very high67 Ų6762 Ų6241%0.41129%0.294SS..Hα-helixtrans-61.6-46.3-177.4-56.40000111.4V113 R114 V115 Q119 L120 L121V113-T117 VanDerWaalsContact O-CB 3.31Å; V113-T117 WeakPolarHBondContact O-CB 3.45Å; V113-T117 PolarHBondContact O-N 3.28Å; V113-T117 PolarHBondContact O-OG1 2.96Å; R114-T117 PolarHBondContact O-N 3.09Å; V115-T117 PolarHBondContact O-N 3.28Å; T117-Q119 VanDerWaalsContact C-N 3.35Å; T117-Q119 PolarHBondContact O-N 3.28Å; T117-L120 PolarHBondContact O-N 2.71Å; T117-L121 HydrophobicContact CG2-CD1 4.15Å; T117-L121 VanDerWaalsContact O-CG 3.29Å; T117-L121 WeakPolarHBondContact O-CG 3.36Å; T117-L121 PolarHBondContact O-N 2.88Å
118R95.8Very high96.8Very high121 Ų12163.6 Ų63.646%0.45731%0.311SS..Hα-helixtrans-59.1-46.6179-178.4176.861.573.91.9111.4R114 V115 F116 L121 E122R114-R118 WeakPolarHBondContact O-CB 3.45Å; R114-R118 PolarHBondContact O-N 2.92Å; V115-R118 PolarHBondContact O-N 2.72Å; F116-R118 PolarHBondContact O-N 3.33Å; R118-L121 PolarHBondContact O-N 3.06Å; R118-E122 PolarHBondContact O-N 3.13Å
119Q95.6Very high96.8Very high18 Ų1858.5 Ų58.58%0.08429%0.289CS..Hα-helixtrans-72.5-33.3-175.6-61.8-63.84600112.9V115 F116 T117 E122 L123 G155 G158 L159V115-Q119 HydrophobicContact CG1-CG 4.29Å; V115-Q119 VanDerWaalsContact O-CG 3.25Å; V115-Q119 WeakPolarHBondContact O-CG 3.47Å; V115-Q119 PolarHBondContact O-N 2.98Å; F116-Q119 PolarHBondContact O-N 3.03Å; T117-Q119 VanDerWaalsContact C-N 3.35Å; T117-Q119 PolarHBondContact O-N 3.28Å; Q119-E122 PolarHBondContact O-N 3.43Å; Q119-L123 WeakPolarHBondContact O-CB 3.48Å; Q119-L123 PolarHBondContact O-N 2.77Å; Q119-G155 WeakPolarHBondContact CB-O 3.45Å; Q119-G158 VanDerWaalsContact NE2-CA 3.32Å; Q119-G158 PolarHBondContact NE2-O 3.4Å; Q119-L159 HydrophobicContact CB-CB 3.94Å; Q119-L159 HydrophobicContact CB-CD1 4.23Å; Q119-L159 HydrophobicContact CG-CB 4.13Å; Q119-L159 HydrophobicContact CG-CD1 4.35Å
120L96.1Very high96.8Very high28 Ų2856.2 Ų56.215%0.14728%0.279CS..Hα-helixtrans-67.7-37.8171.9-95.459.4000111.9L57 F116 T117 L123 H124 L159L57-L120 HydrophobicContact CD1-CD1 3.85Å; F116-L120 HydrophobicContact CD1-CD2 4.16Å; F116-L120 HydrophobicContact CD2-CD1 4.3Å; F116-L120 HydrophobicContact CE1-CD2 3.42Å; F116-L120 VanDerWaalsContact CE1-CD2 3.42Å; F116-L120 HydrophobicContact CE2-CD1 4.19Å; F116-L120 HydrophobicContact CE2-CD2 4.05Å; F116-L120 HydrophobicContact CZ-CD1 4.32Å; F116-L120 HydrophobicContact CZ-CD2 3.36Å; F116-L120 HydrophobicContact CZ-CG 4.48Å; F116-L120 PolarHBondContact O-N 2.82Å; T117-L120 PolarHBondContact O-N 2.71Å; L120-L123 PolarHBondContact O-N 3.25Å; L120-H124 PolarHBondContact O-N 3.34Å; L120-H124 PolarHBondContact O-ND1 2.61Å; L120-L159 HydrophobicContact CD1-CD2 4.2Å
121L96.7Very high96.9Very high89 Ų8952.8 Ų52.847%0.46625%0.254SS..Hα-helixtrans-63.3-42.8173.9-71.6171.2000111.8T117 R118 H124 R125T117-L121 HydrophobicContact CG2-CD1 4.15Å; T117-L121 VanDerWaalsContact O-CG 3.29Å; T117-L121 WeakPolarHBondContact O-CG 3.36Å; T117-L121 PolarHBondContact O-N 2.88Å; R118-L121 PolarHBondContact O-N 3.06Å; L121-H124 PolarHBondContact O-N 2.84Å; L121-R125 VanDerWaalsContact O-CG 3.26Å; L121-R125 WeakPolarHBondContact O-CG 3.34Å; L121-R125 PolarHBondContact O-N 3.17Å
122E94.8Very high96.9Very high45 Ų4554.2 Ų54.221%0.2126%0.261CS..Hα-helixtrans-61.5-46.4173.7-68.4-53.9144.400111.6R118 Q119 H124 R125 G126 Q151R118-E122 PolarHBondContact O-N 3.13Å; Q119-E122 PolarHBondContact O-N 3.43Å; E122-H124 VanDerWaalsContact C-N 3.3Å; E122-H124 PolarHBondContact O-N 2.96Å; E122-R125 WeakPolarHBondContact O-CB 3.4Å; E122-R125 PolarHBondContact O-N 3.45Å; E122-R125 VanDerWaalsContact O-N 3.08Å; E122-R125 IonicContact OE1-CZ 3.9Å; E122-R125 IonicContact OE1-NH1 3.7Å; E122-R125 PolarHBondContact OE1-NH1 3.49Å; E122-R125 IonicContact OE2-NH1 3.93Å; E122-G126 PolarHBondContact O-N 2.94Å; E122-Q151 CarbonylContact C-O 3.52Å; E122-Q151 WeakPolarHBondContact O-CB 3.19Å; E122-Q151 WeakPolarHBondContact OE2-CG 3.43Å; E122-Q151 PolarHBondContact OE2-NE2 2.95Å
123L95Very high97Very high23 Ų2355.4 Ų55.412%0.1227%0.265CS..Hα-helixtrans-54.5-47.7177.8-172.3159.8000111.3Q119 L120 G126 Q127 Q151 L156Q119-L123 WeakPolarHBondContact O-CB 3.48Å; Q119-L123 PolarHBondContact O-N 2.77Å; L120-L123 PolarHBondContact O-N 3.25Å; L123-G126 PolarHBondContact O-N 3.01Å; L123-Q127 WeakPolarHBondContact O-CB 3.47Å; L123-Q127 PolarHBondContact O-N 2.86Å; L123-Q151 WeakPolarHBondContact CA-O 3.27Å; L123-L156 HydrophobicContact CD1-CB 4.43Å
124H96.6Very high96.9Very high101 Ų10153.5 Ų53.547%0.46825%0.252SS..Hα-helixtrans-70.1-30.8179.4-72.378.3000113.2L120 L121 E122 G128L120-H124 PolarHBondContact O-N 3.34Å; L120-H124 PolarHBondContact O-ND1 2.61Å; L121-H124 PolarHBondContact O-N 2.84Å; E122-H124 VanDerWaalsContact C-N 3.3Å; E122-H124 PolarHBondContact O-N 2.96Å; H124-G128 PolarHBondContact O-N 2.88Å
125R96.9Very high96.9Very high130 Ų13048.7 Ų48.749%0.49124%0.239SC..Hα-helixtrans-63.3-47.1172.1-74.7167-177.1153.83.5110.7L121 E122 G128 L129L121-R125 VanDerWaalsContact O-CG 3.26Å; L121-R125 WeakPolarHBondContact O-CG 3.34Å; L121-R125 PolarHBondContact O-N 3.17Å; E122-R125 WeakPolarHBondContact O-CB 3.4Å; E122-R125 PolarHBondContact O-N 3.45Å; E122-R125 VanDerWaalsContact O-N 3.08Å; E122-R125 IonicContact OE1-CZ 3.9Å; E122-R125 IonicContact OE1-NH1 3.7Å; E122-R125 PolarHBondContact OE1-NH1 3.49Å; E122-R125 IonicContact OE2-NH1 3.93Å; R125-G128 PolarHBondContact O-N 3.24Å; R125-L129 WeakPolarHBondContact O-CG 3.43Å; R125-L129 PolarHBondContact O-N 3.46Å; R125-L129 VanDerWaalsContact O-N 3.09Å
126G96.4Very high96.9Very high0 Ų050.9 Ų50.90%025%0.253CS..Hα-helixtrans-60.7-52.3176.400000111.8E122 L123 G128 L129 D130 M148E122-G126 PolarHBondContact O-N 2.94Å; L123-G126 PolarHBondContact O-N 3.01Å; G126-G128 VanDerWaalsContact C-N 3.31Å; G126-G128 PolarHBondContact O-N 3.27Å; G126-L129 PolarHBondContact O-N 2.94Å; G126-D130 PolarHBondContact O-N 2.92Å; G126-D130 VanDerWaalsContact O-N 3.08Å; G126-M148 WeakPolarHBondContact O-CG 3.34Å
127Q96.7Very high96.8Very high15 Ų1555.3 Ų55.37%0.0727%0.27CS..Hα-helixtrans-57.9-43.4177.8-170.868.31.800112.3D65 E68 L123 L129 D130 I131 K152D65-Q127 PolarHBondContact OD1-NE2 3.09Å; E68-Q127 WeakPolarHBondContact OE2-CG 3.47Å; E68-Q127 PolarHBondContact OE2-NE2 3.29Å; L123-Q127 WeakPolarHBondContact O-CB 3.47Å; L123-Q127 PolarHBondContact O-N 2.86Å; Q127-L129 VanDerWaalsContact C-N 3.34Å; Q127-L129 PolarHBondContact O-N 3.42Å; Q127-D130 PolarHBondContact O-N 3.46Å; Q127-I131 HydrophobicContact CG-CD1 3.9Å; Q127-I131 WeakPolarHBondContact O-CG1 3.43Å; Q127-I131 PolarHBondContact O-N 2.93Å; Q127-K152 VanDerWaalsContact OE1-CD 3.27Å
128G97.8Very high96.8Very high37 Ų3755.7 Ų55.738%0.38127%0.272SS..Hα-helixtrans-63.2-37.6179.400000113.3H124 R125 G126 H132H124-G128 PolarHBondContact O-N 2.88Å; R125-G128 PolarHBondContact O-N 3.24Å; G126-G128 VanDerWaalsContact C-N 3.31Å; G126-G128 PolarHBondContact O-N 3.27Å; G128-H132 WeakPolarHBondContact O-CB 3.46Å; G128-H132 PolarHBondContact O-N 3.46Å
129L97.9Very high96.9Very high65 Ų6550.9 Ų50.934%0.3426%0.257SS..Hα-helixtrans-68-44.2174.8-72.5172.2000111.8R125 G126 Q127 I131 H132 W133 M148R125-L129 WeakPolarHBondContact O-CG 3.43Å; R125-L129 PolarHBondContact O-N 3.46Å; R125-L129 VanDerWaalsContact O-N 3.09Å; G126-L129 PolarHBondContact O-N 2.94Å; Q127-L129 VanDerWaalsContact C-N 3.34Å; Q127-L129 PolarHBondContact O-N 3.42Å; L129-I131 PolarHBondContact O-N 2.9Å; L129-H132 PolarHBondContact O-N 3.02Å; L129-W133 HydrophobicContact CB-CE3 4.47Å; L129-W133 HydrophobicContact CB-CH2 4.11Å; L129-W133 HydrophobicContact CB-CZ2 4.19Å; L129-W133 HydrophobicContact CB-CZ3 4.25Å; L129-W133 HydrophobicContact CD2-CZ2 4.36Å; L129-W133 VanDerWaalsContact O-CD2 3.26Å; L129-W133 PolarHBondContact O-N 3.24Å; L129-M148 HydrophobicContact CB-CB 4.44Å; L129-M148 HydrophobicContact CB-CG 3.86Å; L129-M148 HydrophobicContact CD1-CB 4.43Å
130D97.4Very high97Very high6 Ų650 Ų503%0.03225%0.253CS..Hα-helixtrans-55.8-50.7176.6-161.414.2000110.8G126 Q127 R134 M148 K152 K213G126-D130 PolarHBondContact O-N 2.92Å; G126-D130 VanDerWaalsContact O-N 3.08Å; Q127-D130 PolarHBondContact O-N 3.46Å; D130-R134 WeakPolarHBondContact O-CB 3.34Å; D130-R134 PolarHBondContact O-N 3.41Å; D130-R134 VanDerWaalsContact O-N 3.13Å; D130-M148 HydrophobicContact CB-CE 3.93Å; D130-M148 HydrophobicContact CB-CG 4.46Å; D130-M148 HydrophobicContact CB-SD 3.94Å; D130-K152 IonicContact OD2-NZ 3.61Å; D130-K152 PolarHBondContact OD2-NZ 3.44Å; D130-K213 VanDerWaalsContact OD2-CE 3.25Å; D130-K213 WeakPolarHBondContact OD2-CE 3.31Å; D130-K213 IonicContact OD2-NZ 3.8Å
131I97.9Very high97.1Very high37 Ų3751 Ų5119%0.1926%0.26CS..Hα-helixtrans-62.1-45.6175.7-68.2169.2000111.3E68 Q127 L129 W133 R134 D135E68-I131 HydrophobicContact CB-CD1 4.13Å; E68-I131 HydrophobicContact CG-CD1 4.17Å; Q127-I131 HydrophobicContact CG-CD1 3.9Å; Q127-I131 WeakPolarHBondContact O-CG1 3.43Å; Q127-I131 PolarHBondContact O-N 2.93Å; L129-I131 PolarHBondContact O-N 2.9Å; I131-W133 PolarHBondContact O-N 3.27Å; I131-R134 PolarHBondContact O-N 3.41Å; I131-D135 WeakPolarHBondContact O-CB 3.46Å; I131-D135 PolarHBondContact O-N 3.47Å
132H98.3Very high97.2Very high105 Ų10549.2 Ų49.249%0.48625%0.249SC..Hα-helixtrans-60.2-47.5-177.9177.777.5000111.8G128 L129 D135 T136G128-H132 WeakPolarHBondContact O-CB 3.46Å; G128-H132 PolarHBondContact O-N 3.46Å; L129-H132 PolarHBondContact O-N 3.02Å; H132-D135 PolarHBondContact O-N 3.34Å; H132-T136 VanDerWaalsContact O-CB 3.31Å; H132-T136 WeakPolarHBondContact O-CB 3.43Å; H132-T136 VanDerWaalsContact O-CG2 3.29Å; H132-T136 WeakPolarHBondContact O-CG2 3.42Å; H132-T136 PolarHBondContact O-N 3.47Å; H132-T136 PolarHBondContact O-OG1 3.28Å
133W98.3Very high97.4Very high26 Ų2653.8 Ų53.810%0.09827%0.27CS..Hα-helixtrans-61.6-48.7178.1-67-35.8000111.3L129 I131 D135 T136 Y137 T138 P140 E144 M148 F214L129-W133 HydrophobicContact CB-CE3 4.47Å; L129-W133 HydrophobicContact CB-CH2 4.11Å; L129-W133 HydrophobicContact CB-CZ2 4.19Å; L129-W133 HydrophobicContact CB-CZ3 4.25Å; L129-W133 HydrophobicContact CD2-CZ2 4.36Å; L129-W133 VanDerWaalsContact O-CD2 3.26Å; L129-W133 PolarHBondContact O-N 3.24Å; I131-W133 PolarHBondContact O-N 3.27Å; W133-D135 PolarHBondContact O-N 3.34Å; W133-T136 PolarHBondContact O-OG1 3.25Å; W133-Y137 WeakPolarHBondContact O-CA 3.33Å; W133-Y137 PolarHBondContact O-N 3.5Å; W133-T138 VanDerWaalsContact CB-O 3.28Å; W133-T138 WeakPolarHBondContact CB-O 3.38Å; W133-T138 PolarHBondContact O-N 2.98Å; W133-P140 HydrophobicContact CD2-CB 3.75Å; W133-P140 HydrophobicContact CD2-CG 3.92Å; W133-P140 HydrophobicContact CE3-CB 3.81Å; W133-P140 HydrophobicContact CE3-CG 3.65Å; W133-P140 HydrophobicContact CG-CB 4.36Å; W133-P140 HydrophobicContact CG-CG 4.42Å; W133-P140 HydrophobicContact CH2-CB 3.93Å; W133-P140 HydrophobicContact CZ2-CB 3.89Å; W133-P140 HydrophobicContact CZ3-CB 3.88Å; W133-P140 HydrophobicContact CZ3-CG 3.96Å; W133-E144 HydrophobicContact CH2-CB 3.97Å; W133-E144 WeakPolarHBondContact CH2-O 3.27Å; W133-E144 HydrophobicContact CZ2-CB 3.95Å; W133-M148 HydrophobicContact CH2-CB 3.6Å; W133-M148 HydrophobicContact CH2-CG 4.14Å; W133-M148 HydrophobicContact CZ3-CB 3.56Å; W133-M148 HydrophobicContact CZ3-CE 4.07Å; W133-M148 HydrophobicContact CZ3-CG 3.7Å; W133-F214 HydrophobicContact CB-CD2 4.14Å; W133-F214 WeakPolarHBondContact O-CE2 3.29Å
134R97.3Very high97.5Very high12 Ų1256.9 Ų56.95%0.04529%0.285CS..Hα-helixtrans-55.2-47.5176.9-176.3-165.170.1-177.14.2112.5E68 D69 D130 I131 Y137 E211 G212E68-R134 PolarHBondContact O-NH1 3.07Å; E68-R134 PolarHBondContact O-NH2 3.27Å; E68-R134 VanDerWaalsContact O-NH2 3.11Å; D69-R134 IonicContact OD1-CZ 2.67Å; D69-R134 IonicContact OD1-NH1 2.77Å; D69-R134 PolarHBondContact OD1-NH1 2.95Å; D130-R134 WeakPolarHBondContact O-CB 3.34Å; D130-R134 PolarHBondContact O-N 3.41Å; D130-R134 VanDerWaalsContact O-N 3.13Å; I131-R134 PolarHBondContact O-N 3.41Å; R134-Y137 WeakPolarHBondContact O-CD1 3.37Å; R134-Y137 PolarHBondContact O-N 3.08Å; R134-E211 WeakPolarHBondContact CD-O 3.35Å; R134-G212 WeakPolarHBondContact CG-O 3.22Å
135D96.9Very high97.6Very high71 Ų7152.2 Ų52.238%0.3826%0.263SS..Hα-helixtrans-85.3-22.6-171.7-67.4-3.7000113.1I131 H132 W133 R238I131-D135 WeakPolarHBondContact O-CB 3.46Å; I131-D135 PolarHBondContact O-N 3.47Å; H132-D135 PolarHBondContact O-N 3.34Å; W133-D135 PolarHBondContact O-N 3.34Å; D135-R238 IonicContact OD1-CZ 3.66Å; D135-R238 IonicContact OD1-NH1 3.57Å; D135-R238 IonicContact OD1-NH2 3.48Å; D135-R238 PolarHBondContact OD1-NH2 2.72Å
136T97.4Very high97.7Very high62 Ų6248.8 Ų48.838%0.3825%0.25SC..Hα-helixtrans-90.4-6.3170.663.50000113.5H132 W133 T138H132-T136 VanDerWaalsContact O-CB 3.31Å; H132-T136 WeakPolarHBondContact O-CB 3.43Å; H132-T136 VanDerWaalsContact O-CG2 3.29Å; H132-T136 WeakPolarHBondContact O-CG2 3.42Å; H132-T136 PolarHBondContact O-N 3.47Å; H132-T136 PolarHBondContact O-OG1 3.28Å; W133-T136 PolarHBondContact O-OG1 3.25Å; T136-T138 PolarHBondContact O-N 3.02Å; T136-T138 PolarHBondContact OG1-OG1 2.83Å; T136-T138 VanDerWaalsContact OG1-OG1 3.04Å
137Y95.1Very high97.7Very high103 Ų10352.8 Ų52.840%0.40427%0.271SS..THydrogen-bonded Turntrans58.232.2-174.8-49.5-71.6000113.5W133 R134 R236W133-Y137 WeakPolarHBondContact O-CA 3.33Å; W133-Y137 PolarHBondContact O-N 3.5Å; R134-Y137 WeakPolarHBondContact O-CD1 3.37Å; R134-Y137 PolarHBondContact O-N 3.08Å; Y137-R236 HydrophobicContact CD1-CB 3.81Å; Y137-R236 HydrophobicContact CD1-CG 3.8Å; Y137-R236 HydrophobicContact CD2-CG 4.39Å; Y137-R236 HydrophobicContact CE1-CB 3.84Å; Y137-R236 HydrophobicContact CE1-CG 3.6Å; Y137-R236 HydrophobicContact CE2-CG 4.2Å; Y137-R236 HydrophobicContact CG-CG 4.19Å
138T97Very high97.7Very high76 Ų7652.2 Ų52.247%0.46627%0.268SS..  trans-99.7101.6178.2-51.40000108.7W133 T136 P140W133-T138 VanDerWaalsContact CB-O 3.28Å; W133-T138 WeakPolarHBondContact CB-O 3.38Å; W133-T138 PolarHBondContact O-N 2.98Å; T136-T138 PolarHBondContact O-N 3.02Å; T136-T138 PolarHBondContact OG1-OG1 2.83Å; T136-T138 VanDerWaalsContact OG1-OG1 3.04Å; T138-P140 WeakPolarHBondContact O-CD 3.35Å
139C98.1Very high97.7Very high19 Ų1950.4 Ų50.413%0.12825%0.25CS..PPolyproline II helixtrans-65123.5177.4-1740000109.9F214 I222C139-F214 HydrophobicContact CB-CD1 3.83Å; C139-F214 HydrophobicContact CB-CE1 3.63Å; C139-F214 HydrophobicContact CB-CG 4.45Å; C139-F214 HydrophobicContact CB-CZ 4.1Å; C139-I222 HydrophobicContact CB-CD1 4.29Å; C139-I222 HydrophobicContact CB-CG2 4.23Å
140P98.4Very high97.5Very high1 Ų149.3 Ų49.31%0.00624%0.244CC..PPolyproline II helixtrans-70.7159.7175.231.8-36.3000110.8W133 T138 E144 F214 I219 W223W133-P140 HydrophobicContact CD2-CB 3.75Å; W133-P140 HydrophobicContact CD2-CG 3.92Å; W133-P140 HydrophobicContact CE3-CB 3.81Å; W133-P140 HydrophobicContact CE3-CG 3.65Å; W133-P140 HydrophobicContact CG-CB 4.36Å; W133-P140 HydrophobicContact CG-CG 4.42Å; W133-P140 HydrophobicContact CH2-CB 3.93Å; W133-P140 HydrophobicContact CZ2-CB 3.89Å; W133-P140 HydrophobicContact CZ3-CB 3.88Å; W133-P140 HydrophobicContact CZ3-CG 3.96Å; T138-P140 WeakPolarHBondContact O-CD 3.35Å; P140-E144 HydrophobicContact CB-CB 3.98Å; P140-F214 HydrophobicContact CG-CB 4.37Å; P140-I219 HydrophobicContact CG-CD1 3.8Å; P140-I219 HydrophobicContact CG-CG1 4.31Å; P140-W223 PolarHBondContact O-NE1 3.5Å
141T98.6Very high97.3Very high49 Ų4951.1 Ų51.130%0.30125%0.253SS..PPolyproline II helixtrans-66.9162.6161.162.80000110.7E143 E144 Y145 W223T141-E143 VanDerWaalsContact C-N 3.27Å; T141-E143 PolarHBondContact O-N 3.4Å; T141-E144 WeakPolarHBondContact CB-OE2 3.11Å; T141-E144 WeakPolarHBondContact CG2-OE2 3.35Å; T141-E144 PolarHBondContact N-OE2 3.4Å; T141-E144 PolarHBondContact O-N 3.18Å; T141-E144 WeakPolarHBondContact OG1-CB 3.37Å; T141-E144 VanDerWaalsContact OG1-CD 3.3Å; T141-E144 VanDerWaalsContact OG1-CG 3.24Å; T141-E144 WeakPolarHBondContact OG1-CG 3.34Å; T141-E144 PolarHBondContact OG1-N 3.14Å; T141-E144 PolarHBondContact OG1-OE2 3.01Å; T141-Y145 PolarHBondContact O-N 3.21Å; T141-W223 HydrophobicContact CG2-CH2 4.18Å; T141-W223 HydrophobicContact CG2-CZ2 3.82Å
142E98.4Very high96.9Very high50 Ų5050.5 Ų50.523%0.23425%0.249CC..Hα-helixtrans-60.9-37.8175.9-168.6-175.7132.800112.1Y145 R146 F216 Y260E142-Y145 PolarHBondContact O-N 2.66Å; E142-R146 VanDerWaalsContact O-CG 3.29Å; E142-R146 WeakPolarHBondContact O-CG 3.46Å; E142-R146 PolarHBondContact O-N 3.35Å; E142-R146 IonicContact OE1-CZ 3.79Å; E142-R146 VanDerWaalsContact OE1-CZ 3.23Å; E142-R146 IonicContact OE1-NE 3.86Å; E142-R146 PolarHBondContact OE1-NE 2.98Å; E142-R146 IonicContact OE1-NH2 3.76Å; E142-R146 PolarHBondContact OE1-NH2 3.38Å; E142-F216 HydrophobicContact CG-CD2 4.45Å; E142-F216 HydrophobicContact CG-CE2 3.65Å; E142-F216 HydrophobicContact CG-CZ 4.27Å; E142-Y260 PolarHBondContact OE1-OH 3.29Å; E142-Y260 WeakPolarHBondContact OE2-CE1 3.25Å; E142-Y260 PolarHBondContact OE2-OH 2.64Å
143E98.3Very high95.9Very high141 Ų14146.1 Ų46.166%0.65923%0.229SC*.Hα-helixtrans-64.8-45.1178.2-173.9-178.5170.600111.7T141 Y145 R146 N147T141-E143 VanDerWaalsContact C-N 3.27Å; T141-E143 PolarHBondContact O-N 3.4Å; E143-Y145 PolarHBondContact O-N 2.9Å; E143-R146 PolarHBondContact O-N 3.41Å; E143-N147 PolarHBondContact O-N 3.25Å; E143-N147 PolarHBondContact O-ND2 2.97Å
144E98.5Very high94.8Very high89 Ų8945.3 Ų45.342%0.41623%0.229SC..Hα-helixtrans-61-45174.9-73.7165.8139.800111.5W133 P140 T141 R146 N147 M148W133-E144 HydrophobicContact CH2-CB 3.97Å; W133-E144 WeakPolarHBondContact CH2-O 3.27Å; W133-E144 HydrophobicContact CZ2-CB 3.95Å; P140-E144 HydrophobicContact CB-CB 3.98Å; T141-E144 WeakPolarHBondContact CB-OE2 3.11Å; T141-E144 WeakPolarHBondContact CG2-OE2 3.35Å; T141-E144 PolarHBondContact N-OE2 3.4Å; T141-E144 PolarHBondContact O-N 3.18Å; T141-E144 WeakPolarHBondContact OG1-CB 3.37Å; T141-E144 VanDerWaalsContact OG1-CD 3.3Å; T141-E144 VanDerWaalsContact OG1-CG 3.24Å; T141-E144 WeakPolarHBondContact OG1-CG 3.34Å; T141-E144 PolarHBondContact OG1-N 3.14Å; T141-E144 PolarHBondContact OG1-OE2 3.01Å; E144-R146 PolarHBondContact O-N 3.1Å; E144-N147 PolarHBondContact O-N 3.31Å; E144-M148 WeakPolarHBondContact O-CB 3.45Å; E144-M148 PolarHBondContact O-N 3.01Å
145Y98.5Very high93.8Very high2 Ų244.8 Ų44.81%0.00823%0.228CC..Hα-helixtrans-56.9-49174.2168.6-86.5000111.1T141 E142 E143 N147 M148 V149 I187 D190 F216 I219T141-Y145 PolarHBondContact O-N 3.21Å; E142-Y145 PolarHBondContact O-N 2.66Å; E143-Y145 PolarHBondContact O-N 2.9Å; Y145-N147 VanDerWaalsContact C-N 3.32Å; Y145-N147 PolarHBondContact O-N 2.9Å; Y145-M148 HydrophobicContact CD2-CE 4.02Å; Y145-M148 HydrophobicContact CE2-CE 4.24Å; Y145-M148 WeakPolarHBondContact O-CB 3.29Å; Y145-M148 PolarHBondContact O-N 2.91Å; Y145-V149 HydrophobicContact CD1-CG2 4.09Å; Y145-V149 HydrophobicContact CD2-CG2 4.36Å; Y145-V149 HydrophobicContact CE1-CG2 3.59Å; Y145-V149 HydrophobicContact CE2-CG2 3.95Å; Y145-V149 HydrophobicContact CG-CG2 4.44Å; Y145-V149 WeakPolarHBondContact O-CG2 3.06Å; Y145-V149 PolarHBondContact O-N 2.79Å; Y145-I187 HydrophobicContact CE1-CD1 4.49Å; Y145-I187 HydrophobicContact CE1-CG1 4.01Å; Y145-D190 PolarHBondContact OH-OD2 3.29Å; Y145-F216 AromaticContact CD1-CD2 3.84Å; Y145-F216 HydrophobicContact CD1-CD2 3.84Å; Y145-F216 HydrophobicContact CE1-CB 4.07Å; Y145-F216 AromaticContact CE1-CD2 3.58Å; Y145-F216 HydrophobicContact CE1-CD2 3.58Å; Y145-F216 HydrophobicContact CE1-CG 4.31Å; Y145-I219 HydrophobicContact CD2-CD1 3.37Å; Y145-I219 HydrophobicContact CE2-CD1 4.17Å; Y145-I219 HydrophobicContact CG-CD1 3.62Å
146R97.9Very high93.3Very high58 Ų5841.7 Ų41.722%0.21921%0.211CC..Hα-helixtrans-58-45.7179.1-73.7174.6-179.9-85.92.2111E142 E143 E144 M148 V149 L150 L183 T264E142-R146 VanDerWaalsContact O-CG 3.29Å; E142-R146 WeakPolarHBondContact O-CG 3.46Å; E142-R146 PolarHBondContact O-N 3.35Å; E142-R146 IonicContact OE1-CZ 3.79Å; E142-R146 VanDerWaalsContact OE1-CZ 3.23Å; E142-R146 IonicContact OE1-NE 3.86Å; E142-R146 PolarHBondContact OE1-NE 2.98Å; E142-R146 IonicContact OE1-NH2 3.76Å; E142-R146 PolarHBondContact OE1-NH2 3.38Å; E143-R146 PolarHBondContact O-N 3.41Å; E144-R146 PolarHBondContact O-N 3.1Å; R146-M148 PolarHBondContact O-N 2.84Å; R146-V149 PolarHBondContact O-N 2.84Å; R146-L150 WeakPolarHBondContact O-CG 3.13Å; R146-L150 PolarHBondContact O-N 3Å; R146-L183 HydrophobicContact CB-CD2 3.85Å; R146-L183 HydrophobicContact CG-CD2 3.89Å; R146-T264 VanDerWaalsContact NH2-CG2 3.28Å
147N97.1Very high92.8Very high84 Ų8439 Ų3945%0.44919%0.194SC..Hα-helixtrans-61.5-43.3177.1-72.9-34.2000112.4E143 E144 Y145 V149 L150 Q151E143-N147 PolarHBondContact O-N 3.25Å; E143-N147 PolarHBondContact O-ND2 2.97Å; E144-N147 PolarHBondContact O-N 3.31Å; Y145-N147 VanDerWaalsContact C-N 3.32Å; Y145-N147 PolarHBondContact O-N 2.9Å; N147-V149 VanDerWaalsContact C-N 3.34Å; N147-V149 PolarHBondContact O-N 3.41Å; N147-L150 PolarHBondContact O-N 3.14Å; N147-Q151 WeakPolarHBondContact O-CG 3.49Å; N147-Q151 PolarHBondContact O-N 2.98Å
148M97.4Very high92.6Very high3 Ų334.4 Ų34.42%0.01518%0.178CC..Hα-helixtrans-60.1-43.4174.8176.9-77.1-74.100111.6G126 L129 D130 W133 E144 Y145 R146 L150 Q151 K152G126-M148 WeakPolarHBondContact O-CG 3.34Å; L129-M148 HydrophobicContact CB-CB 4.44Å; L129-M148 HydrophobicContact CB-CG 3.86Å; L129-M148 HydrophobicContact CD1-CB 4.43Å; D130-M148 HydrophobicContact CB-CE 3.93Å; D130-M148 HydrophobicContact CB-CG 4.46Å; D130-M148 HydrophobicContact CB-SD 3.94Å; W133-M148 HydrophobicContact CH2-CB 3.6Å; W133-M148 HydrophobicContact CH2-CG 4.14Å; W133-M148 HydrophobicContact CZ3-CB 3.56Å; W133-M148 HydrophobicContact CZ3-CE 4.07Å; W133-M148 HydrophobicContact CZ3-CG 3.7Å; E144-M148 WeakPolarHBondContact O-CB 3.45Å; E144-M148 PolarHBondContact O-N 3.01Å; Y145-M148 HydrophobicContact CD2-CE 4.02Å; Y145-M148 HydrophobicContact CE2-CE 4.24Å; Y145-M148 WeakPolarHBondContact O-CB 3.29Å; Y145-M148 PolarHBondContact O-N 2.91Å; R146-M148 PolarHBondContact O-N 2.84Å; M148-L150 VanDerWaalsContact C-N 3.34Å; M148-L150 PolarHBondContact O-N 2.9Å; M148-Q151 WeakPolarHBondContact O-CA 3.37Å; M148-Q151 WeakPolarHBondContact O-CB 3.36Å; M148-Q151 PolarHBondContact O-N 2.92Å; M148-K152 PolarHBondContact O-N 3.12Å; M148-K152 HydrophobicContact SD-CB 4.08Å; M148-K152 HydrophobicContact SD-CD 4.14Å
149V95.9Very high92.4Very high0 Ų030.8 Ų30.80%016%0.156CC..Hα-helixtrans-63.3-39.6178.2170.20000112.1Y145 R146 N147 Q151 K152 T153 G154 L183 Q186Y145-V149 HydrophobicContact CD1-CG2 4.09Å; Y145-V149 HydrophobicContact CD2-CG2 4.36Å; Y145-V149 HydrophobicContact CE1-CG2 3.59Å; Y145-V149 HydrophobicContact CE2-CG2 3.95Å; Y145-V149 HydrophobicContact CG-CG2 4.44Å; Y145-V149 WeakPolarHBondContact O-CG2 3.06Å; Y145-V149 PolarHBondContact O-N 2.79Å; R146-V149 PolarHBondContact O-N 2.84Å; N147-V149 VanDerWaalsContact C-N 3.34Å; N147-V149 PolarHBondContact O-N 3.41Å; V149-Q151 PolarHBondContact O-N 2.8Å; V149-K152 PolarHBondContact O-N 3.45Å; V149-T153 PolarHBondContact O-N 3.33Å; V149-G154 PolarHBondContact O-N 2.67Å; V149-L183 HydrophobicContact CB-CD2 4Å; V149-L183 HydrophobicContact CG1-CD2 3.86Å; V149-Q186 HydrophobicContact CB-CB 4.46Å; V149-Q186 HydrophobicContact CB-CG 4.41Å; V149-Q186 HydrophobicContact CG1-CB 3.41Å; V149-Q186 VanDerWaalsContact CG1-CB 3.41Å; V149-Q186 HydrophobicContact CG1-CG 3.84Å; V149-Q186 HydrophobicContact CG2-CB 4.18Å; V149-Q186 HydrophobicContact CG2-CG 3.67Å
150L94.2Very high92.3Very high41 Ų4130 Ų3022%0.21515%0.151CC..Hα-helixtrans-59.9-31.4174.5-67.3179.6000111.9R146 N147 M148 G154 D179 L183R146-L150 WeakPolarHBondContact O-CG 3.13Å; R146-L150 PolarHBondContact O-N 3Å; N147-L150 PolarHBondContact O-N 3.14Å; M148-L150 VanDerWaalsContact C-N 3.34Å; M148-L150 PolarHBondContact O-N 2.9Å; L150-G154 CarbonylContact O-C 3.57Å; L150-G154 WeakPolarHBondContact O-CA 3.13Å; L150-G154 PolarHBondContact O-N 3.23Å; L150-D179 VanDerWaalsContact CD2-CA 3.46Å; L150-D179 HydrophobicContact CD2-CB 3.46Å; L150-D179 VanDerWaalsContact CD2-CB 3.46Å; L150-D179 WeakPolarHBondContact CD2-O 3.3Å; L150-L183 HydrophobicContact CD2-CD1 4.11Å; L150-L183 HydrophobicContact CD2-CD2 4.37Å; L150-L183 HydrophobicContact CD2-CG 3.83Å; L150-L183 HydrophobicContact CG-CD2 4.47Å; L150-L183 HydrophobicContact CG-CG 4.41Å
151Q93Very high92.1Very high45 Ų4530 Ų3021%0.2115%0.151CC..Hα-helixtrans-78.4-51.1174.8-62.9-177.4-57.900112.1E122 L123 N147 M148 V149 G155E122-Q151 CarbonylContact C-O 3.52Å; E122-Q151 WeakPolarHBondContact O-CB 3.19Å; E122-Q151 WeakPolarHBondContact OE2-CG 3.43Å; E122-Q151 PolarHBondContact OE2-NE2 2.95Å; L123-Q151 WeakPolarHBondContact CA-O 3.27Å; N147-Q151 WeakPolarHBondContact O-CG 3.49Å; N147-Q151 PolarHBondContact O-N 2.98Å; M148-Q151 WeakPolarHBondContact O-CA 3.37Å; M148-Q151 WeakPolarHBondContact O-CB 3.36Å; M148-Q151 PolarHBondContact O-N 2.92Å; V149-Q151 PolarHBondContact O-N 2.8Å; Q151-G155 WeakPolarHBondContact O-CA 3.45Å; Q151-G155 PolarHBondContact O-N 2.84Å; Q151-G155 VanDerWaalsContact O-N 3.11Å
152K89.3Confident92Very high23 Ų2328.1 Ų28.110%0.114%0.141CC..Hα-helixtrans-65.6-58.4-176.7178.7170.2172.1155.80112.2D65 Q127 D130 M148 V149D65-K152 IonicContact OD1-NZ 2.98Å; D65-K152 PolarHBondContact OD1-NZ 3.05Å; Q127-K152 VanDerWaalsContact OE1-CD 3.27Å; D130-K152 IonicContact OD2-NZ 3.61Å; D130-K152 PolarHBondContact OD2-NZ 3.44Å; M148-K152 PolarHBondContact O-N 3.12Å; M148-K152 HydrophobicContact SD-CB 4.08Å; M148-K152 HydrophobicContact SD-CD 4.14Å; V149-K152 PolarHBondContact O-N 3.45Å
153T78.5Confident92Very high14 Ų1425.8 Ų25.89%0.08613%0.13CC..Hα-helixtrans-90.7-37.9-173.2-61.30000111.5V149 G155 F157 F185 Q186V149-T153 PolarHBondContact O-N 3.33Å; T153-G155 VanDerWaalsContact C-N 3.27Å; T153-G155 PolarHBondContact O-N 3.48Å; T153-F157 HydrophobicContact CG2-CD2 4.41Å; T153-F157 HydrophobicContact CG2-CE2 3.98Å; T153-F185 HydrophobicContact CG2-CB 4.39Å; T153-Q186 PolarHBondContact OG1-OE1 2.96Å
154G75Confident92Very high8 Ų819 Ų198%0.08210%0.099CC..Hα-helixtrans-66.4-27173.700000113.2V149 L150 L156 G158V149-G154 PolarHBondContact O-N 2.67Å; L150-G154 CarbonylContact O-C 3.57Å; L150-G154 WeakPolarHBondContact O-CA 3.13Å; L150-G154 PolarHBondContact O-N 3.23Å; G154-L156 PolarHBondContact O-N 3.23Å; G154-G158 WeakPolarHBondContact O-CA 3.3Å; G154-G158 PolarHBondContact O-N 2.92Å
155G77.1Confident91.9Very high2 Ų217.8 Ų17.82%0.0219%0.093CC..Hα-helixtrans-57.4-48.1177.400000113.2Q119 Q151 T153 L159Q119-G155 WeakPolarHBondContact CB-O 3.45Å; Q151-G155 WeakPolarHBondContact O-CA 3.45Å; Q151-G155 PolarHBondContact O-N 2.84Å; Q151-G155 VanDerWaalsContact O-N 3.11Å; T153-G155 VanDerWaalsContact C-N 3.27Å; T153-G155 PolarHBondContact O-N 3.48Å; G155-L159 PolarHBondContact O-N 3.18Å
156L85.4Confident91.8Very high5 Ų519.7 Ų19.73%0.02610%0.103CC..Hα-helixtrans-78.7-34.2-176.7-164.760.8000113.3T54 L57 H58 L123 G154 L159 A160T54-L156 HydrophobicContact CG2-CD1 4.44Å; T54-L156 HydrophobicContact CG2-CG 4.26Å; L57-L156 HydrophobicContact CB-CD1 3.94Å; L57-L156 HydrophobicContact CD1-CD1 4.45Å; H58-L156 HydrophobicContact CB-CD2 3.67Å; L123-L156 HydrophobicContact CD1-CB 4.43Å; G154-L156 PolarHBondContact O-N 3.23Å; L156-L159 HydrophobicContact CD1-CB 4.45Å; L156-L159 HydrophobicContact CD1-CD2 3.96Å; L156-L159 WeakPolarHBondContact O-CB 3.43Å; L156-L159 PolarHBondContact O-N 3.28Å; L156-A160 PolarHBondContact O-N 3.23Å
157F87Confident91.8Very high5 Ų519.2 Ų19.22%0.02210%0.103CC..Hα-helixtrans-65.6-42.6169.8-68.2-33.1000111.5R29 L32 T153 L159 A160 V161 L178 F185R29-F157 HydrophobicContact CG-CD1 4.44Å; R29-F157 HydrophobicContact CG-CE1 3.88Å; L32-F157 HydrophobicContact CD1-CD1 4.14Å; L32-F157 HydrophobicContact CD1-CE1 3.85Å; L32-F157 HydrophobicContact CD1-CZ 4.06Å; L32-F157 HydrophobicContact CD2-CD1 4.18Å; T153-F157 HydrophobicContact CG2-CD2 4.41Å; T153-F157 HydrophobicContact CG2-CE2 3.98Å; F157-L159 PolarHBondContact O-N 3.47Å; F157-A160 PolarHBondContact O-N 3.5Å; F157-V161 PolarHBondContact O-N 3.42Å; F157-L178 HydrophobicContact CB-CD2 4.06Å; F157-F185 HydrophobicContact CE2-CB 4.29Å; F157-F185 AromaticContact CE2-CD2 3.49Å; F157-F185 HydrophobicContact CE2-CD2 3.49Å; F157-F185 VanDerWaalsContact CE2-CD2 3.49Å; F157-F185 HydrophobicContact CE2-CE2 4.09Å; F157-F185 HydrophobicContact CE2-CG 4.06Å; F157-F185 AromaticContact CZ-CD2 3.58Å; F157-F185 HydrophobicContact CZ-CD2 3.58Å; F157-F185 AromaticContact CZ-CE2 3.88Å; F157-F185 HydrophobicContact CZ-CE2 3.88Å; F157-F185 AromaticContact CZ-CG 3.99Å; F157-F185 HydrophobicContact CZ-CG 3.99Å; F157-F185 HydrophobicContact CZ-CZ 4.49Å
158G90.2Very high91.9Very high7 Ų715.6 Ų15.67%0.0728%0.084CC..Hα-helixtrans-65.7-24.3174.700000113Q119 G154 G162Q119-G158 VanDerWaalsContact NE2-CA 3.32Å; Q119-G158 PolarHBondContact NE2-O 3.4Å; G154-G158 WeakPolarHBondContact O-CA 3.3Å; G154-G158 PolarHBondContact O-N 2.92Å; G158-G162 VanDerWaalsContact O-CA 3.27Å; G158-G162 WeakPolarHBondContact O-CA 3.47Å; G158-G162 PolarHBondContact O-N 2.99Å
159L94.3Very high91.8Very high0 Ų022.8 Ų22.80%012%0.123CC..Hα-helixtrans-67.6-54170.5178.262.3000110.9V53 L57 V115 F116 Q119 L120 G155 L156 F157 G162 L163V53-L159 HydrophobicContact CG1-CD2 4.48Å; L57-L159 HydrophobicContact CD1-CD2 3.25Å; V115-L159 HydrophobicContact CG1-CD1 4.2Å; F116-L159 HydrophobicContact CB-CD1 4.26Å; F116-L159 HydrophobicContact CD2-CD1 4.39Å; F116-L159 HydrophobicContact CD2-CD2 4.35Å; Q119-L159 HydrophobicContact CB-CB 3.94Å; Q119-L159 HydrophobicContact CB-CD1 4.23Å; Q119-L159 HydrophobicContact CG-CB 4.13Å; Q119-L159 HydrophobicContact CG-CD1 4.35Å; L120-L159 HydrophobicContact CD1-CD2 4.2Å; G155-L159 PolarHBondContact O-N 3.18Å; L156-L159 HydrophobicContact CD1-CB 4.45Å; L156-L159 HydrophobicContact CD1-CD2 3.96Å; L156-L159 WeakPolarHBondContact O-CB 3.43Å; L156-L159 PolarHBondContact O-N 3.28Å; F157-L159 PolarHBondContact O-N 3.47Å; L159-G162 PolarHBondContact O-N 2.99Å; L159-L163 HydrophobicContact CD1-CD1 3.77Å; L159-L163 HydrophobicContact CD1-CG 3.98Å; L159-L163 HydrophobicContact CG-CD1 4.07Å; L159-L163 WeakPolarHBondContact O-CB 3.48Å; L159-L163 VanDerWaalsContact O-CG 3.3Å; L159-L163 WeakPolarHBondContact O-CG 3.36Å; L159-L163 PolarHBondContact O-N 3.35Å
160A94.9Very high91.8Very high4 Ų425.7 Ų25.73%0.03313%0.134CC..Hα-helixtrans-57.6-55.5-17900000110.9T54 L156 F157 G162 L163 M164T54-A160 HydrophobicContact CG2-CB 4.01Å; T54-A160 WeakPolarHBondContact OG1-CB 3.26Å; L156-A160 PolarHBondContact O-N 3.23Å; F157-A160 PolarHBondContact O-N 3.5Å; A160-G162 PolarHBondContact O-N 3.22Å; A160-L163 PolarHBondContact O-N 3.29Å; A160-M164 WeakPolarHBondContact O-CG 3.44Å; A160-M164 PolarHBondContact O-N 3.42Å
161V95.7Very high91.6Very high0 Ų031.4 Ų31.40%016%0.157CC..Hα-helixtrans-68.1-37.7-178.8172.80000112F36 L40 F157 L163 M164 Q165 L174 L178F36-V161 HydrophobicContact CB-CG2 4.08Å; F36-V161 HydrophobicContact CD1-CG1 4.33Å; F36-V161 HydrophobicContact CD1-CG2 3.79Å; F36-V161 HydrophobicContact CD2-CG2 4.06Å; F36-V161 HydrophobicContact CE1-CG2 4.2Å; F36-V161 HydrophobicContact CE2-CG2 4.46Å; F36-V161 HydrophobicContact CG-CG2 3.69Å; L40-V161 HydrophobicContact CD1-CG1 4.07Å; F157-V161 PolarHBondContact O-N 3.42Å; V161-L163 VanDerWaalsContact C-N 3.34Å; V161-L163 PolarHBondContact O-N 3.23Å; V161-M164 WeakPolarHBondContact O-CB 3.34Å; V161-M164 PolarHBondContact O-N 3.04Å; V161-Q165 HydrophobicContact CG1-CG 4.3Å; V161-Q165 WeakPolarHBondContact O-CG 3.42Å; V161-Q165 PolarHBondContact O-N 3.23Å; V161-L174 HydrophobicContact CG1-CB 4.34Å; V161-L174 HydrophobicContact CG1-CD1 3.71Å; V161-L178 HydrophobicContact CB-CD1 3.93Å; V161-L178 HydrophobicContact CB-CD2 4.24Å; V161-L178 HydrophobicContact CG1-CD1 3.87Å; V161-L178 HydrophobicContact CG2-CD1 4.41Å; V161-L178 HydrophobicContact CG2-CD2 3.83Å
162G95.9Very high91.7Very high10 Ų1033.9 Ų33.910%0.10317%0.168CC..Hα-helixtrans-63-38.5176.800000112.8G158 L159 A160 L166G158-G162 VanDerWaalsContact O-CA 3.27Å; G158-G162 WeakPolarHBondContact O-CA 3.47Å; G158-G162 PolarHBondContact O-N 2.99Å; L159-G162 PolarHBondContact O-N 2.99Å; A160-G162 PolarHBondContact O-N 3.22Å; G162-L166 WeakPolarHBondContact O-CG 3.32Å
163L97.4Very high91.9Very high0 Ų037.9 Ų37.90%019%0.191CC..Hα-helixtrans-69.6-41172.8-70.6173.3000111.4I50 V104 L107 A112 V115 L159 A160 V161 Q165 L166 F167I50-L163 HydrophobicContact CD1-CB 3.95Å; I50-L163 HydrophobicContact CG1-CB 3.88Å; I50-L163 HydrophobicContact CG1-CD1 4.44Å; I50-L163 HydrophobicContact CG2-CB 4.06Å; I50-L163 HydrophobicContact CG2-CD1 4.35Å; V104-L163 HydrophobicContact CG1-CD2 4.5Å; V104-L163 HydrophobicContact CG2-CD1 4.36Å; L107-L163 HydrophobicContact CD1-CD1 4.4Å; L107-L163 HydrophobicContact CD1-CD2 4.18Å; A112-L163 HydrophobicContact CB-CD2 4.05Å; V115-L163 HydrophobicContact CB-CD2 4.21Å; V115-L163 HydrophobicContact CG1-CD2 4.15Å; V115-L163 HydrophobicContact CG1-CG 4.22Å; L159-L163 HydrophobicContact CD1-CD1 3.77Å; L159-L163 HydrophobicContact CD1-CG 3.98Å; L159-L163 HydrophobicContact CG-CD1 4.07Å; L159-L163 WeakPolarHBondContact O-CB 3.48Å; L159-L163 VanDerWaalsContact O-CG 3.3Å; L159-L163 WeakPolarHBondContact O-CG 3.36Å; L159-L163 PolarHBondContact O-N 3.35Å; A160-L163 PolarHBondContact O-N 3.29Å; V161-L163 VanDerWaalsContact C-N 3.34Å; V161-L163 PolarHBondContact O-N 3.23Å; L163-Q165 VanDerWaalsContact C-N 3.33Å; L163-Q165 PolarHBondContact O-N 2.88Å; L163-L166 HydrophobicContact CD2-CD1 4.17Å; L163-L166 WeakPolarHBondContact O-CB 3.45Å; L163-L166 PolarHBondContact O-N 3.12Å; L163-F167 WeakPolarHBondContact O-CD2 3.29Å
164M97.8Very high92.7Very high0 Ų037.3 Ų37.30%019%0.187CC..Hα-helixtrans-60.2-41.6176.7-71.1168.478.900112A33 F36 N37 L40 V42 L47 I50 A160 V161 L166 F167 S168A33-M164 HydrophobicContact CB-SD 4.37Å; A33-M164 WeakPolarHBondContact O-CE 3.33Å; F36-M164 HydrophobicContact CB-CE 4.2Å; N37-M164 HydrophobicContact CB-CE 3.74Å; L40-M164 HydrophobicContact CB-CE 4.32Å; L40-M164 HydrophobicContact CD1-CB 3.5Å; L40-M164 VanDerWaalsContact CD1-CB 3.5Å; L40-M164 HydrophobicContact CD1-CE 3.83Å; L40-M164 HydrophobicContact CD1-CG 4.41Å; L40-M164 HydrophobicContact CD1-SD 4.14Å; V42-M164 HydrophobicContact CG2-CB 3.71Å; V42-M164 HydrophobicContact CG2-CE 4.35Å; V42-M164 HydrophobicContact CG2-CG 4.13Å; V42-M164 VanDerWaalsContact CG2-O 3.32Å; V42-M164 WeakPolarHBondContact CG2-O 3.31Å; L47-M164 HydrophobicContact CD1-CE 3.72Å; L47-M164 HydrophobicContact CD1-CG 4.31Å; L47-M164 HydrophobicContact CD1-SD 4.25Å; I50-M164 HydrophobicContact CD1-CG 3.99Å; I50-M164 HydrophobicContact CG2-CG 4.11Å; A160-M164 WeakPolarHBondContact O-CG 3.44Å; A160-M164 PolarHBondContact O-N 3.42Å; V161-M164 WeakPolarHBondContact O-CB 3.34Å; V161-M164 PolarHBondContact O-N 3.04Å; M164-L166 PolarHBondContact O-N 2.87Å; M164-F167 PolarHBondContact O-N 3.34Å; M164-S168 PolarHBondContact O-N 3.14Å
165Q97.1Very high93.6Very high62 Ų6242.1 Ų42.129%0.2921%0.206SC..Hα-helixtrans-61.8-23.7178.5-77.5-179.4-5200113.8L40 V161 L163 F167 S168L40-Q165 HydrophobicContact CD1-CG 4.37Å; L40-Q165 HydrophobicContact CD2-CG 3.88Å; V161-Q165 HydrophobicContact CG1-CG 4.3Å; V161-Q165 WeakPolarHBondContact O-CG 3.42Å; V161-Q165 PolarHBondContact O-N 3.23Å; L163-Q165 VanDerWaalsContact C-N 3.33Å; L163-Q165 PolarHBondContact O-N 2.88Å; Q165-F167 PolarHBondContact O-N 3.1Å; Q165-S168 PolarHBondContact O-N 2.93Å
166L97.3Very high94.5Very high42 Ų4244.8 Ų44.822%0.2222%0.223CC..THydrogen-bonded Turntrans-66.4-24.4175.2-59.2179.3000112.6E111 A112 V115 G162 L163 M164E111-L166 HydrophobicContact CB-CD1 4.38Å; E111-L166 HydrophobicContact CB-CD2 3.96Å; A112-L166 HydrophobicContact CB-CD1 4.1Å; V115-L166 HydrophobicContact CG2-CD1 4.2Å; V115-L166 HydrophobicContact CG2-CD2 4.4Å; G162-L166 WeakPolarHBondContact O-CG 3.32Å; L163-L166 HydrophobicContact CD2-CD1 4.17Å; L163-L166 WeakPolarHBondContact O-CB 3.45Å; L163-L166 PolarHBondContact O-N 3.12Å; M164-L166 PolarHBondContact O-N 2.87Å
167F97.8Very high95.1Very high48 Ų4844.6 Ų44.621%0.21122%0.222CC..THydrogen-bonded Turntrans-112.618.3-177.5-60.2-78.1000112.3V42 K46 I50 L107 H109 L163 M164 Q165V42-F167 HydrophobicContact CG1-CB 3.94Å; K46-F167 HydrophobicContact CB-CD2 4.36Å; K46-F167 HydrophobicContact CB-CG 4.34Å; K46-F167 HydrophobicContact CD-CD1 4.5Å; K46-F167 HydrophobicContact CD-CE1 4.12Å; K46-F167 HydrophobicContact CD-CZ 4.26Å; K46-F167 HydrophobicContact CG-CD1 4.11Å; K46-F167 HydrophobicContact CG-CE1 4.23Å; K46-F167 HydrophobicContact CG-CG 4.34Å; I50-F167 HydrophobicContact CD1-CD2 4.31Å; L107-F167 HydrophobicContact CB-CE2 4.15Å; L107-F167 HydrophobicContact CB-CZ 3.87Å; L107-F167 HydrophobicContact CD1-CE2 4.32Å; L107-F167 HydrophobicContact CD2-CE2 4.1Å; L107-F167 HydrophobicContact CD2-CZ 4.31Å; L107-F167 HydrophobicContact CG-CE2 4.43Å; L107-F167 WeakPolarHBondContact O-CZ 3.26Å; H109-F167 HydrophobicContact CB-CE1 4.09Å; H109-F167 HydrophobicContact CB-CE2 4.3Å; H109-F167 HydrophobicContact CB-CZ 3.56Å; L163-F167 WeakPolarHBondContact O-CD2 3.29Å; M164-F167 PolarHBondContact O-N 3.34Å; Q165-F167 PolarHBondContact O-N 3.1Å
168S97.7Very high95.4Very high9 Ų945 Ų456%0.06322%0.224CC..  trans-124.2143.9-176.1-175.60000112.2L40 M164 Q165 W170 K171L40-S168 WeakPolarHBondContact CA-OG 3.36Å; L40-S168 WeakPolarHBondContact O-CB 3.49Å; L40-S168 PolarHBondContact O-OG 3.01Å; M164-S168 PolarHBondContact O-N 3.14Å; Q165-S168 PolarHBondContact O-N 2.93Å; S168-W170 VanDerWaalsContact C-N 3.26Å; S168-W170 VanDerWaalsContact OG-CB 3.29Å; S168-W170 WeakPolarHBondContact OG-CB 3.44Å; S168-W170 PolarHBondContact OG-N 2.89Å; S168-K171 PolarHBondContact O-NZ 2.66Å
169D96.4Very high95.7Very high154 Ų15446.3 Ų46.382%0.82423%0.23SC*.  trans-79.9-9.8168.9-69.3-36.4000112.8K171D169-K171 WeakPolarHBondContact O-CG 3.39Å; D169-K171 PolarHBondContact O-N 3.49Å
170W95.3Very high95.8Very high60 Ų6047 Ų4723%0.22723%0.234CC..  trans-68.5115.8177.6-171.7-86.5000111.3W39 L40 S168 Q172 L279W39-W170 HydrophobicContact CB-CD2 4.03Å; W39-W170 HydrophobicContact CB-CE3 4.13Å; W39-W170 HydrophobicContact CB-CH2 4.39Å; W39-W170 HydrophobicContact CB-CZ2 4.3Å; W39-W170 HydrophobicContact CB-CZ3 4.31Å; W39-W170 AromaticContact CD1-CH2 3.86Å; W39-W170 HydrophobicContact CG-CH2 4.27Å; W39-W170 HydrophobicContact CG-CZ2 4.23Å; L40-W170 HydrophobicContact CD2-CB 3.79Å; L40-W170 HydrophobicContact CD2-CG 4.02Å; S168-W170 VanDerWaalsContact C-N 3.26Å; S168-W170 VanDerWaalsContact OG-CB 3.29Å; S168-W170 WeakPolarHBondContact OG-CB 3.44Å; S168-W170 PolarHBondContact OG-N 2.89Å; W170-Q172 HydrophobicContact CZ2-CB 4.2Å; W170-Q172 HydrophobicContact CZ2-CG 3.93Å; W170-L279 HydrophobicContact CZ2-CD2 4.25Å
171K91.3Very high95.8Very high162 Ų16246.9 Ų46.970%0.70423%0.233SC*.  trans-106.3-2.1-176.5-55.6-50.5176.6-160.20115S168 D169S168-K171 PolarHBondContact O-NZ 2.66Å; D169-K171 WeakPolarHBondContact O-CG 3.39Å; D169-K171 PolarHBondContact O-N 3.49Å
172Q93.6Very high95.7Very high96 Ų9646.9 Ų46.945%0.44923%0.233SC..SBendtrans-69.4147.7178.4-48.6-168.225.700110.5W170 L174 L279W170-Q172 HydrophobicContact CZ2-CB 4.2Å; W170-Q172 HydrophobicContact CZ2-CG 3.93Å; Q172-L174 PolarHBondContact O-N 3.03Å; Q172-L279 HydrophobicContact CB-CD2 4.16Å
173D94.3Very high95.8Very high108 Ų10847.3 Ų47.358%0.57823%0.232SC*.  trans-74.2117.3179.2-173.212.6000110.6K175D173-K175 WeakPolarHBondContact OD1-CB 3.46Å; D173-K175 PolarHBondContact OD1-N 3.34Å
174L95.9Very high95.7Very high1 Ų147.4 Ų47.41%0.00523%0.233CC..  trans-93.9-5.3176.9-65.2173.4000112.1F36 W39 L40 V161 Q172 L177 L178 L279F36-L174 HydrophobicContact CD1-CD1 3.96Å; F36-L174 HydrophobicContact CE1-CB 4.36Å; F36-L174 HydrophobicContact CE1-CD1 4.21Å; F36-L174 HydrophobicContact CE1-CD2 4.32Å; W39-L174 HydrophobicContact CE3-CD2 4.07Å; W39-L174 HydrophobicContact CZ3-CD2 4.25Å; L40-L174 HydrophobicContact CD1-CD1 4.18Å; L40-L174 HydrophobicContact CD2-CD1 3.77Å; L40-L174 HydrophobicContact CG-CD1 4.22Å; V161-L174 HydrophobicContact CG1-CB 4.34Å; V161-L174 HydrophobicContact CG1-CD1 3.71Å; Q172-L174 PolarHBondContact O-N 3.03Å; L174-L177 PolarHBondContact O-N 3.44Å; L174-L178 HydrophobicContact CB-CD1 4.38Å; L174-L178 WeakPolarHBondContact O-CG 3.37Å; L174-L178 PolarHBondContact O-N 2.97Å; L174-L279 HydrophobicContact CD2-CD1 3.72Å; L174-L279 HydrophobicContact CD2-CD2 4.18Å
175K93.9Very high95.4Very high110 Ų11048.7 Ų48.748%0.47824%0.238SC..Hα-helixtrans-59.3-45.3-175.1-168.6-170.3-174.2-49.30113.2D173 L177 L178 D179D173-K175 WeakPolarHBondContact OD1-CB 3.46Å; D173-K175 PolarHBondContact OD1-N 3.34Å; K175-L177 VanDerWaalsContact C-N 3.26Å; K175-L177 PolarHBondContact O-N 3.29Å; K175-L178 PolarHBondContact O-N 3.14Å; K175-L178 VanDerWaalsContact O-N 3.14Å; K175-D179 IonicContact NZ-OD1 3.43Å; K175-D179 PolarHBondContact NZ-OD1 2.91Å; K175-D179 IonicContact NZ-OD2 2.68Å; K175-D179 PolarHBondContact NZ-OD2 3.32Å; K175-D179 WeakPolarHBondContact O-CB 3.21Å; K175-D179 VanDerWaalsContact O-CG 3.24Å; K175-D179 PolarHBondContact O-N 3.42Å
176P96.3Very high95.3Very high57 Ų5746.8 Ų46.837%0.3723%0.229SC..Hα-helixtrans-58.9-38.8179.3-25.335.7000112.9T180 L275P176-T180 WeakPolarHBondContact O-CB 3.26Å; P176-T180 PolarHBondContact O-N 2.91Å; P176-T180 PolarHBondContact O-OG1 2.9Å; P176-L275 HydrophobicContact CB-CD1 4.31Å; P176-L275 HydrophobicContact CB-CD2 4.28Å
177L96.4Very high95.3Very high2 Ų244.8 Ų44.81%0.0122%0.219CC..Hα-helixtrans-69.7-43.3176.3178.159.3000111.4F36 W39 L174 K175 D179 T180 L181 A272 L275 I276 L279 L285F36-L177 HydrophobicContact CE1-CD2 4.22Å; F36-L177 HydrophobicContact CZ-CD2 4.11Å; F36-L177 HydrophobicContact CZ-CG 4.3Å; W39-L177 HydrophobicContact CH2-CD2 3.56Å; W39-L177 HydrophobicContact CZ3-CD2 3.66Å; L174-L177 PolarHBondContact O-N 3.44Å; K175-L177 VanDerWaalsContact C-N 3.26Å; K175-L177 PolarHBondContact O-N 3.29Å; L177-D179 VanDerWaalsContact C-N 3.34Å; L177-D179 PolarHBondContact O-N 3.47Å; L177-T180 PolarHBondContact O-N 3.14Å; L177-L181 HydrophobicContact CD1-CD1 4.18Å; L177-L181 HydrophobicContact CD1-CG 4.14Å; L177-L181 HydrophobicContact CG-CD1 4.12Å; L177-L181 HydrophobicContact CG-CG 4.48Å; L177-L181 WeakPolarHBondContact O-CB 3.47Å; L177-L181 VanDerWaalsContact O-CG 3.27Å; L177-L181 WeakPolarHBondContact O-CG 3.26Å; L177-L181 PolarHBondContact O-N 3.42Å; L177-A272 HydrophobicContact CD1-CB 4.27Å; L177-L275 HydrophobicContact CB-CB 4.36Å; L177-L275 HydrophobicContact CB-CD1 4.34Å; L177-L275 HydrophobicContact CD1-CB 4.11Å; L177-I276 HydrophobicContact CD1-CD1 4.49Å; L177-I276 HydrophobicContact CD1-CG1 4.02Å; L177-I276 HydrophobicContact CD2-CG1 3.99Å; L177-L279 HydrophobicContact CD2-CD1 3.73Å; L177-L285 HydrophobicContact CD2-CD2 3.86Å
178L94.8Very high95.1Very high12 Ų1243.5 Ų43.56%0.06321%0.213CC..Hα-helixtrans-61.3-41.9176.1-72169.1000112.4F36 F157 V161 L174 K175 L181 G182F36-L178 HydrophobicContact CE1-CD2 4.07Å; F36-L178 HydrophobicContact CE1-CG 4.36Å; F36-L178 HydrophobicContact CE2-CD2 4.1Å; F36-L178 HydrophobicContact CZ-CD2 3.6Å; F36-L178 HydrophobicContact CZ-CG 4.19Å; F157-L178 HydrophobicContact CB-CD2 4.06Å; V161-L178 HydrophobicContact CB-CD1 3.93Å; V161-L178 HydrophobicContact CB-CD2 4.24Å; V161-L178 HydrophobicContact CG1-CD1 3.87Å; V161-L178 HydrophobicContact CG2-CD1 4.41Å; V161-L178 HydrophobicContact CG2-CD2 3.83Å; L174-L178 HydrophobicContact CB-CD1 4.38Å; L174-L178 WeakPolarHBondContact O-CG 3.37Å; L174-L178 PolarHBondContact O-N 2.97Å; K175-L178 PolarHBondContact O-N 3.14Å; K175-L178 VanDerWaalsContact O-N 3.14Å; L178-L181 PolarHBondContact O-N 3.02Å; L178-G182 PolarHBondContact O-N 2.99Å
179D95.5Very high94.8Very high36 Ų3644.8 Ų44.819%0.19322%0.219CC..Hα-helixtrans-62.3-47.5176.9-72.8-8.8000110.4L150 K175 L177 L181 G182 L183L150-D179 VanDerWaalsContact CD2-CA 3.46Å; L150-D179 HydrophobicContact CD2-CB 3.46Å; L150-D179 VanDerWaalsContact CD2-CB 3.46Å; L150-D179 WeakPolarHBondContact CD2-O 3.3Å; K175-D179 IonicContact NZ-OD1 3.43Å; K175-D179 PolarHBondContact NZ-OD1 2.91Å; K175-D179 IonicContact NZ-OD2 2.68Å; K175-D179 PolarHBondContact NZ-OD2 3.32Å; K175-D179 WeakPolarHBondContact O-CB 3.21Å; K175-D179 VanDerWaalsContact O-CG 3.24Å; K175-D179 PolarHBondContact O-N 3.42Å; L177-D179 VanDerWaalsContact C-N 3.34Å; L177-D179 PolarHBondContact O-N 3.47Å; D179-L181 PolarHBondContact O-N 2.82Å; D179-G182 PolarHBondContact O-N 2.98Å; D179-L183 WeakPolarHBondContact O-CG 3.11Å; D179-L183 PolarHBondContact O-N 3.37Å
180T97Very high94.7Very high15 Ų1537.5 Ų37.59%0.09218%0.18CC..Hα-helixtrans-59.8-46.6177.2-580000111.5P176 L177 L183 F184 L268 E271 A272P176-T180 WeakPolarHBondContact O-CB 3.26Å; P176-T180 PolarHBondContact O-N 2.91Å; P176-T180 PolarHBondContact O-OG1 2.9Å; L177-T180 PolarHBondContact O-N 3.14Å; T180-L183 PolarHBondContact O-N 3.25Å; T180-F184 WeakPolarHBondContact O-CB 3.42Å; T180-F184 PolarHBondContact O-N 3.49Å; T180-L268 HydrophobicContact CG2-CD2 4.1Å; T180-L268 WeakPolarHBondContact CG2-O 3.29Å; T180-E271 HydrophobicContact CG2-CB 4.13Å; T180-E271 HydrophobicContact CG2-CG 3.97Å; T180-A272 HydrophobicContact CG2-CB 4.03Å
181L94.6Very high94.7Very high1 Ų135 Ų351%0.00517%0.171CC..Hα-helixtrans-63.7-44.3176.1-69.7174.5000111.3L32 F36 L177 L178 D179 L183 F184 F185 A272 L285 I289L32-L181 HydrophobicContact CD1-CD1 4.41Å; F36-L181 HydrophobicContact CE2-CD1 3.93Å; F36-L181 HydrophobicContact CZ-CD1 3.93Å; L177-L181 HydrophobicContact CD1-CD1 4.18Å; L177-L181 HydrophobicContact CD1-CG 4.14Å; L177-L181 HydrophobicContact CG-CD1 4.12Å; L177-L181 HydrophobicContact CG-CG 4.48Å; L177-L181 WeakPolarHBondContact O-CB 3.47Å; L177-L181 VanDerWaalsContact O-CG 3.27Å; L177-L181 WeakPolarHBondContact O-CG 3.26Å; L177-L181 PolarHBondContact O-N 3.42Å; L178-L181 PolarHBondContact O-N 3.02Å; D179-L181 PolarHBondContact O-N 2.82Å; L181-L183 VanDerWaalsContact C-N 3.33Å; L181-L183 PolarHBondContact O-N 2.84Å; L181-F184 PolarHBondContact O-N 2.77Å; L181-F185 HydrophobicContact CB-CD2 4.32Å; L181-F185 HydrophobicContact CB-CE2 4.41Å; L181-F185 WeakPolarHBondContact O-CB 3.34Å; L181-F185 WeakPolarHBondContact O-CD2 3.5Å; L181-F185 PolarHBondContact O-N 3.27Å; L181-A272 HydrophobicContact CD2-CB 4.34Å; L181-L285 HydrophobicContact CD1-CD1 4.16Å; L181-L285 HydrophobicContact CD1-CD2 4.29Å; L181-I289 HydrophobicContact CD2-CD1 3.88Å; L181-I289 HydrophobicContact CD2-CG1 3.94Å
182G93.8Very high94.6Very high0 Ų027.3 Ų27.30%014%0.137CC..Hα-helixtrans-55.5-47.3177.900000112.4L178 D179 Q186L178-G182 PolarHBondContact O-N 2.99Å; D179-G182 PolarHBondContact O-N 2.98Å; G182-Q186 PolarHBondContact O-N 2.95Å; G182-Q186 VanDerWaalsContact O-N 3.13Å
183L96.8Very high94.5Very high18 Ų1822.8 Ų22.89%0.09412%0.116CC..Hα-helixtrans-62.1-48.1174-72171.1000112R146 V149 L150 D179 T180 L181 F185 Q186 I187 L268R146-L183 HydrophobicContact CB-CD2 3.85Å; R146-L183 HydrophobicContact CG-CD2 3.89Å; V149-L183 HydrophobicContact CB-CD2 4Å; V149-L183 HydrophobicContact CG1-CD2 3.86Å; L150-L183 HydrophobicContact CD2-CD1 4.11Å; L150-L183 HydrophobicContact CD2-CD2 4.37Å; L150-L183 HydrophobicContact CD2-CG 3.83Å; L150-L183 HydrophobicContact CG-CD2 4.47Å; L150-L183 HydrophobicContact CG-CG 4.41Å; D179-L183 WeakPolarHBondContact O-CG 3.11Å; D179-L183 PolarHBondContact O-N 3.37Å; T180-L183 PolarHBondContact O-N 3.25Å; L181-L183 VanDerWaalsContact C-N 3.33Å; L181-L183 PolarHBondContact O-N 2.84Å; L183-F185 VanDerWaalsContact C-N 3.33Å; L183-F185 PolarHBondContact O-N 3.31Å; L183-Q186 PolarHBondContact O-N 3.43Å; L183-I187 WeakPolarHBondContact O-CB 3.43Å; L183-I187 WeakPolarHBondContact O-CG1 3.4Å; L183-I187 PolarHBondContact O-N 3.11Å; L183-L268 HydrophobicContact CB-CD1 4Å; L183-L268 HydrophobicContact CB-CD2 4.04Å; L183-L268 HydrophobicContact CD1-CD2 4.27Å
184F95.8Very high94.3Very high2 Ų217.9 Ų17.91%0.0099%0.09CC..Hα-helixtrans-57.2-46.5178.7175.3-98000111.7T180 L181 R188 L265 L268 E269 L292 H296T180-F184 WeakPolarHBondContact O-CB 3.42Å; T180-F184 PolarHBondContact O-N 3.49Å; L181-F184 PolarHBondContact O-N 2.77Å; F184-R188 WeakPolarHBondContact O-CB 3.43Å; F184-R188 PolarHBondContact O-N 3.04Å; F184-L265 HydrophobicContact CD2-CD2 3.83Å; F184-L265 HydrophobicContact CE2-CD2 4.12Å; F184-L268 HydrophobicContact CB-CB 4.23Å; F184-L268 HydrophobicContact CB-CD1 4.5Å; F184-L268 HydrophobicContact CD2-CB 4.24Å; F184-E269 HydrophobicContact CE2-CB 4.18Å; F184-L292 HydrophobicContact CE1-CB 3.95Å; F184-L292 HydrophobicContact CE1-CD1 4.47Å; F184-L292 HydrophobicContact CZ-CB 4.36Å; F184-H296 AromaticContact CE2-CE1 3.87Å
185F92.2Very high93.8Very high28 Ų2820.1 Ų20.112%0.12311%0.105CC..Hα-helixtrans-63.7-44.3-179.8-87.2-72.6000112.6V28 L32 T153 F157 L181 L183 D189 L292V28-F185 HydrophobicContact CG1-CD1 4.49Å; V28-F185 HydrophobicContact CG1-CE1 3.43Å; V28-F185 VanDerWaalsContact CG1-CE1 3.43Å; V28-F185 HydrophobicContact CG1-CZ 3.51Å; L32-F185 HydrophobicContact CD1-CE2 4Å; L32-F185 HydrophobicContact CD1-CZ 4.47Å; T153-F185 HydrophobicContact CG2-CB 4.39Å; F157-F185 HydrophobicContact CE2-CB 4.29Å; F157-F185 AromaticContact CE2-CD2 3.49Å; F157-F185 HydrophobicContact CE2-CD2 3.49Å; F157-F185 VanDerWaalsContact CE2-CD2 3.49Å; F157-F185 HydrophobicContact CE2-CE2 4.09Å; F157-F185 HydrophobicContact CE2-CG 4.06Å; F157-F185 AromaticContact CZ-CD2 3.58Å; F157-F185 HydrophobicContact CZ-CD2 3.58Å; F157-F185 AromaticContact CZ-CE2 3.88Å; F157-F185 HydrophobicContact CZ-CE2 3.88Å; F157-F185 AromaticContact CZ-CG 3.99Å; F157-F185 HydrophobicContact CZ-CG 3.99Å; F157-F185 HydrophobicContact CZ-CZ 4.49Å; L181-F185 HydrophobicContact CB-CD2 4.32Å; L181-F185 HydrophobicContact CB-CE2 4.41Å; L181-F185 WeakPolarHBondContact O-CB 3.34Å; L181-F185 WeakPolarHBondContact O-CD2 3.5Å; L181-F185 PolarHBondContact O-N 3.27Å; L183-F185 VanDerWaalsContact C-N 3.33Å; L183-F185 PolarHBondContact O-N 3.31Å; F185-D189 PolarHBondContact O-N 2.94Å; F185-D189 VanDerWaalsContact O-N 3.08Å; F185-L292 HydrophobicContact CD1-CD1 4.36Å; F185-L292 HydrophobicContact CE1-CD1 3.25Å; F185-L292 HydrophobicContact CE1-CD2 4.19Å; F185-L292 HydrophobicContact CE1-CG 4.33Å; F185-L292 HydrophobicContact CE2-CD1 4.34Å; F185-L292 HydrophobicContact CZ-CD1 3.24Å
186Q94.9Very high93Very high21 Ų2115.8 Ų15.810%0.0989%0.089CC..Hα-helixtrans-71.4-48.9-178.6-172.461.754.300111.9V149 T153 G182 L183 R188 D189 D190V149-Q186 HydrophobicContact CB-CB 4.46Å; V149-Q186 HydrophobicContact CB-CG 4.41Å; V149-Q186 HydrophobicContact CG1-CB 3.41Å; V149-Q186 VanDerWaalsContact CG1-CB 3.41Å; V149-Q186 HydrophobicContact CG1-CG 3.84Å; V149-Q186 HydrophobicContact CG2-CB 4.18Å; V149-Q186 HydrophobicContact CG2-CG 3.67Å; T153-Q186 PolarHBondContact OG1-OE1 2.96Å; G182-Q186 PolarHBondContact O-N 2.95Å; G182-Q186 VanDerWaalsContact O-N 3.13Å; L183-Q186 PolarHBondContact O-N 3.43Å; Q186-R188 PolarHBondContact O-N 3.33Å; Q186-D189 WeakPolarHBondContact O-CA 3.35Å; Q186-D189 WeakPolarHBondContact O-CB 3.24Å; Q186-D189 PolarHBondContact O-N 3.3Å; Q186-D190 PolarHBondContact NE2-OD1 2.68Å; Q186-D190 PolarHBondContact O-N 3.37Å
187I96.5Very high91.8Very high0 Ų019.5 Ų19.50%011%0.106CC..Hα-helixtrans-62.2-33.2180-65.9172.1000110.4Y145 L183 Y191 F216 T261 T264 L265 L268Y145-I187 HydrophobicContact CE1-CD1 4.49Å; Y145-I187 HydrophobicContact CE1-CG1 4.01Å; L183-I187 WeakPolarHBondContact O-CB 3.43Å; L183-I187 WeakPolarHBondContact O-CG1 3.4Å; L183-I187 PolarHBondContact O-N 3.11Å; I187-Y191 WeakPolarHBondContact O-CB 3.42Å; I187-Y191 PolarHBondContact O-N 3.35Å; I187-F216 HydrophobicContact CD1-CD2 3.8Å; I187-F216 HydrophobicContact CD1-CE2 3.8Å; I187-F216 HydrophobicContact CD1-CG 4.27Å; I187-F216 HydrophobicContact CD1-CZ 4.3Å; I187-F216 HydrophobicContact CG1-CB 4.22Å; I187-F216 HydrophobicContact CG1-CD2 3.89Å; I187-F216 HydrophobicContact CG1-CE2 4.4Å; I187-F216 HydrophobicContact CG1-CG 4.01Å; I187-F216 HydrophobicContact CG2-CB 4.26Å; I187-F216 HydrophobicContact CG2-CD1 3.85Å; I187-F216 HydrophobicContact CG2-CE1 4.33Å; I187-F216 HydrophobicContact CG2-CG 3.97Å; I187-T261 HydrophobicContact CG2-CG2 3.72Å; I187-T264 HydrophobicContact CD1-CG2 3.98Å; I187-L265 HydrophobicContact CB-CD2 4.01Å; I187-L265 HydrophobicContact CG2-CD2 3.82Å; I187-L265 HydrophobicContact CG2-CG 3.94Å; I187-L268 HydrophobicContact CD1-CD1 3.85Å
188R93.6Very high90.3Very high22 Ų2223.6 Ų23.68%0.08313%0.125CC..Hα-helixtrans-67.1-40.6173.5-177-170.3165.1-70-4.6111.8F184 Q186 Y191 A192 L265 L292 M295F184-R188 WeakPolarHBondContact O-CB 3.43Å; F184-R188 PolarHBondContact O-N 3.04Å; Q186-R188 PolarHBondContact O-N 3.33Å; R188-Y191 PolarHBondContact O-N 2.98Å; R188-A192 VanDerWaalsContact O-CB 3.29Å; R188-A192 WeakPolarHBondContact O-CB 3.39Å; R188-A192 PolarHBondContact O-N 3Å; R188-L265 HydrophobicContact CB-CD1 4.45Å; R188-L265 HydrophobicContact CB-CD2 3.91Å; R188-L292 PolarHBondContact NE-O 2.87Å; R188-M295 HydrophobicContact CG-SD 4.36Å; R188-M295 VanDerWaalsContact NH2-CE 3.27Å
189D91.3Very high89Confident36 Ų3624.4 Ų24.419%0.19313%0.127CC..Hα-helixtrans-64.7-45.1176.3-159.467.3000111.1F185 Q186 Y191 A192 N193 Y199 K203F185-D189 PolarHBondContact O-N 2.94Å; F185-D189 VanDerWaalsContact O-N 3.08Å; Q186-D189 WeakPolarHBondContact O-CA 3.35Å; Q186-D189 WeakPolarHBondContact O-CB 3.24Å; Q186-D189 PolarHBondContact O-N 3.3Å; D189-Y191 VanDerWaalsContact C-N 3.35Å; D189-Y191 PolarHBondContact O-N 2.94Å; D189-A192 PolarHBondContact O-N 3.04Å; D189-N193 PolarHBondContact O-N 3.08Å; D189-Y199 WeakPolarHBondContact OD1-CE1 3.48Å; D189-Y199 PolarHBondContact OD1-OH 3.07Å; D189-K203 IonicContact OD1-NZ 2.61Å; D189-K203 IonicContact OD2-NZ 3.99Å; D189-K203 PolarHBondContact OD2-NZ 3.36Å
190D95.2Very high87.9Confident1 Ų123.9 Ų23.91%0.00513%0.126CC..Hα-helixtrans-58.9-43.9175.4-72.420.6000111.7Y145 Q186 S215 F216Y145-D190 PolarHBondContact OH-OD2 3.29Å; Q186-D190 PolarHBondContact NE2-OD1 2.68Å; Q186-D190 PolarHBondContact O-N 3.37Å; D190-S215 WeakPolarHBondContact OD2-CA 3.44Å; D190-S215 WeakPolarHBondContact OD2-CB 3.46Å; D190-F216 HydrophobicContact CB-CB 4.45Å; D190-F216 PolarHBondContact OD2-N 3.31Å
191Y94.3Very high86.5Confident8 Ų830.2 Ų30.23%0.03116%0.155CC..Hα-helixtrans-62.7-46.5174.7-179.6-101.1000111.6I187 R188 D189 N193 L194 S195 F258 T261 R262 H296I187-Y191 WeakPolarHBondContact O-CB 3.42Å; I187-Y191 PolarHBondContact O-N 3.35Å; R188-Y191 PolarHBondContact O-N 2.98Å; D189-Y191 VanDerWaalsContact C-N 3.35Å; D189-Y191 PolarHBondContact O-N 2.94Å; Y191-N193 PolarHBondContact O-N 3.47Å; Y191-L194 PolarHBondContact O-N 2.78Å; Y191-S195 WeakPolarHBondContact CD1-OG 3.41Å; Y191-S195 WeakPolarHBondContact CE1-OG 3.37Å; Y191-S195 WeakPolarHBondContact O-CB 3.46Å; Y191-S195 PolarHBondContact O-N 3.18Å; Y191-S195 VanDerWaalsContact O-N 3.08Å; Y191-S195 PolarHBondContact O-OG 3.44Å; Y191-F258 AromaticContact CD2-CD1 3.91Å; Y191-F258 HydrophobicContact CD2-CD1 3.91Å; Y191-F258 HydrophobicContact CE2-CB 4.04Å; Y191-F258 AromaticContact CE2-CD1 3.75Å; Y191-F258 HydrophobicContact CE2-CD1 3.75Å; Y191-F258 HydrophobicContact CE2-CG 4.25Å; Y191-T261 HydrophobicContact CD2-CG2 3.77Å; Y191-T261 HydrophobicContact CG-CG2 4.18Å; Y191-R262 HydrophobicContact CE2-CG 3.83Å; Y191-R262 PolarHBondContact OH-NH1 3.34Å; Y191-H296 HydrophobicContact CE1-CB 4.42Å
192A90.1Very high85.3Confident0 Ų032.4 Ų32.40%017%0.167CC..Hα-helixtrans-65.2-39-177.300000112.1R188 D189 L194 S195 S196 Y199 M295R188-A192 VanDerWaalsContact O-CB 3.29Å; R188-A192 WeakPolarHBondContact O-CB 3.39Å; R188-A192 PolarHBondContact O-N 3Å; D189-A192 PolarHBondContact O-N 3.04Å; A192-L194 PolarHBondContact O-N 2.66Å; A192-S195 PolarHBondContact O-N 2.94Å; A192-S196 WeakPolarHBondContact O-CB 3.49Å; A192-S196 PolarHBondContact O-N 3.23Å; A192-Y199 HydrophobicContact CB-CD1 3.8Å; A192-Y199 HydrophobicContact CB-CD2 3.59Å; A192-Y199 HydrophobicContact CB-CE1 3.8Å; A192-Y199 HydrophobicContact CB-CE2 3.61Å; A192-Y199 HydrophobicContact CB-CG 3.67Å; A192-Y199 WeakPolarHBondContact O-CB 3.36Å; A192-M295 HydrophobicContact CB-CE 4.08Å; A192-M295 HydrophobicContact CB-SD 3.52Å; A192-M295 VanDerWaalsContact CB-SD 3.52Å
193N90.8Very high84.1Confident1 Ų133.6 Ų33.61%0.00517%0.172CC..Hα-helixtrans-56-36.6178.2-167.4-63.4000112.2D189 Y191 E207 D208D189-N193 PolarHBondContact O-N 3.08Å; Y191-N193 PolarHBondContact O-N 3.47Å; N193-E207 PolarHBondContact OD1-N 3.33Å; N193-D208 PolarHBondContact ND2-OD1 3.43Å; N193-D208 PolarHBondContact OD1-N 3.49Å
194L90.8Very high83.1Confident5 Ų534.1 Ų34.13%0.02618%0.177CC..Hα-helixtrans-99-16.6-174.2-61.2179.8000115Y191 A192 C206 D208 L209 P217 T218 L252 F258Y191-L194 PolarHBondContact O-N 2.78Å; A192-L194 PolarHBondContact O-N 2.66Å; L194-C206 HydrophobicContact CD2-CB 4Å; L194-D208 HydrophobicContact CD2-CB 4.32Å; L194-L209 HydrophobicContact CD2-CD1 4.32Å; L194-L209 HydrophobicContact CD2-CD2 4.1Å; L194-L209 HydrophobicContact CD2-CG 3.81Å; L194-P217 HydrophobicContact CD1-CB 4.12Å; L194-P217 HydrophobicContact CD1-CG 4.1Å; L194-T218 HydrophobicContact CD1-CG2 4.15Å; L194-L252 HydrophobicContact CD1-CD1 3.84Å; L194-F258 HydrophobicContact CB-CE1 3.78Å; L194-F258 HydrophobicContact CB-CZ 3.94Å; L194-F258 HydrophobicContact CD1-CE1 4.49Å
195S84.7Confident82.6Confident48 Ų4837 Ų3734%0.33619%0.189SC..Hα-helixtrans-127.3-8.7-170.268.70000115.7Y191 A192Y191-S195 WeakPolarHBondContact CD1-OG 3.41Å; Y191-S195 WeakPolarHBondContact CE1-OG 3.37Å; Y191-S195 WeakPolarHBondContact O-CB 3.46Å; Y191-S195 PolarHBondContact O-N 3.18Å; Y191-S195 VanDerWaalsContact O-N 3.08Å; Y191-S195 PolarHBondContact O-OG 3.44Å; A192-S195 PolarHBondContact O-N 2.94Å
196S77.1Confident82.3Confident19 Ų1935.6 Ų35.613%0.13318%0.183CC..  trans-109128.2-1741690000112.9A192 E198 Y199 S200A192-S196 WeakPolarHBondContact O-CB 3.49Å; A192-S196 PolarHBondContact O-N 3.23Å; S196-E198 PolarHBondContact OG-N 2.92Å; S196-Y199 PolarHBondContact O-N 3.24Å; S196-Y199 PolarHBondContact OG-N 3.35Å; S196-S200 PolarHBondContact O-N 2.94Å; S196-S200 PolarHBondContact O-OG 2.89Å
197D71.9Confident82Confident134 Ų13434.8 Ų34.872%0.71718%0.18SC*.Hα-helixtrans-63.7-43.3173-64.8-31.3000111.3Y199 S200 E201D197-Y199 VanDerWaalsContact C-N 3.28Å; D197-Y199 PolarHBondContact O-N 3.13Å; D197-S200 VanDerWaalsContact O-CB 3.32Å; D197-S200 WeakPolarHBondContact O-CB 3.34Å; D197-S200 PolarHBondContact O-N 3Å; D197-E201 PolarHBondContact O-N 3.25Å; D197-E201 VanDerWaalsContact O-N 3.08Å
198E64.6Low81.8Confident89 Ų8935 Ų3542%0.41618%0.18SC..Hα-helixtrans-57.8-39.5174.4-174-162.6151.800111.6K26 S196 E201 N202K26-E198 IonicContact NZ-OE1 3.36Å; K26-E198 PolarHBondContact NZ-OE1 2.88Å; S196-E198 PolarHBondContact OG-N 2.92Å; E198-E201 PolarHBondContact O-N 2.82Å; E198-N202 PolarHBondContact O-N 2.82Å; E198-N202 PolarHBondContact O-ND2 2.85Å
199Y68.6Low81.9Confident29 Ų2933.9 Ų33.911%0.11418%0.177CC..Hα-helixtrans-71.1-34.9176.4-103.6-111.8000112.3D189 A192 S196 D197 E201 N202 K203 M295D189-Y199 WeakPolarHBondContact OD1-CE1 3.48Å; D189-Y199 PolarHBondContact OD1-OH 3.07Å; A192-Y199 HydrophobicContact CB-CD1 3.8Å; A192-Y199 HydrophobicContact CB-CD2 3.59Å; A192-Y199 HydrophobicContact CB-CE1 3.8Å; A192-Y199 HydrophobicContact CB-CE2 3.61Å; A192-Y199 HydrophobicContact CB-CG 3.67Å; A192-Y199 WeakPolarHBondContact O-CB 3.36Å; S196-Y199 PolarHBondContact O-N 3.24Å; S196-Y199 PolarHBondContact OG-N 3.35Å; D197-Y199 VanDerWaalsContact C-N 3.28Å; D197-Y199 PolarHBondContact O-N 3.13Å; Y199-E201 PolarHBondContact O-N 2.77Å; Y199-N202 PolarHBondContact O-N 2.81Å; Y199-K203 HydrophobicContact CD1-CD 4.48Å; Y199-K203 PolarHBondContact O-N 3.41Å; Y199-M295 HydrophobicContact CD2-CE 4.09Å; Y199-M295 HydrophobicContact CE2-CE 3.87Å
200S70.9Confident82.1Confident25 Ų2533.1 Ų33.118%0.17517%0.173CC..Hα-helixtrans-61-34.8174.2-60.30000111.7S196 D197 S204S196-S200 PolarHBondContact O-N 2.94Å; S196-S200 PolarHBondContact O-OG 2.89Å; D197-S200 VanDerWaalsContact O-CB 3.32Å; D197-S200 WeakPolarHBondContact O-CB 3.34Å; D197-S200 PolarHBondContact O-N 3Å; S200-S204 CarbonylContact O-C 3.59Å; S200-S204 WeakPolarHBondContact O-CA 3.3Å; S200-S204 PolarHBondContact O-N 3.03Å; S200-S204 VanDerWaalsContact O-N 3.1Å
201E67.9Low82Confident148 Ų14833.5 Ų33.569%0.69218%0.175SC*.Hα-helixtrans-69.5-32.6171.8-66.2179.2173.400112.5G76 D197 E198 Y199G76-E201 WeakPolarHBondContact CA-O 3.4Å; D197-E201 PolarHBondContact O-N 3.25Å; D197-E201 VanDerWaalsContact O-N 3.08Å; E198-E201 PolarHBondContact O-N 2.82Å; Y199-E201 PolarHBondContact O-N 2.77Å
202N70.7Confident82Confident47 Ų4733.1 Ų33.125%0.25117%0.173SC..Hα-helixtrans-88.3-33.5-174.2-79.4-59.9000115.6R74 R75 G76 E198 Y199R74-N202 CarbonylContact C-O 3.55Å; R75-N202 PolarHBondContact N-O 2.97Å; G76-N202 PolarHBondContact N-O 2.86Å; E198-N202 PolarHBondContact O-N 2.82Å; E198-N202 PolarHBondContact O-ND2 2.85Å; Y199-N202 PolarHBondContact O-N 2.81Å
203K67Low82.3Confident25 Ų2533.7 Ų33.711%0.10918%0.176CC..Hα-helixtrans-125.23.4-175.2-70.1-160.4-163.2-178.20113.4D189 Y199 E207D189-K203 IonicContact OD1-NZ 2.61Å; D189-K203 IonicContact OD2-NZ 3.99Å; D189-K203 PolarHBondContact OD2-NZ 3.36Å; Y199-K203 HydrophobicContact CD1-CD 4.48Å; Y199-K203 PolarHBondContact O-N 3.41Å; K203-E207 WeakPolarHBondContact O-CB 3.13Å
204S76.6Confident82.6Confident29 Ų2933.9 Ų33.920%0.20318%0.176CC..  trans74.7155.6-164.786.50000113.7S200 C206S200-S204 CarbonylContact O-C 3.59Å; S200-S204 WeakPolarHBondContact O-CA 3.3Å; S200-S204 PolarHBondContact O-N 3.03Å; S200-S204 VanDerWaalsContact O-N 3.1Å; S204-C206 PolarHBondContact O-N 3.34Å
205F84.1Confident82.9Confident61 Ų6133.6 Ų33.627%0.26818%0.175SC..THydrogen-bonded Turntrans-64.6118.3-174.5-179.8-102.9000112E207 K245 K246F205-E207 PolarHBondContact O-N 3.11Å; F205-K245 HydrophobicContact CD1-CB 4.07Å; F205-K245 HydrophobicContact CD1-CD 4.05Å; F205-K245 HydrophobicContact CE1-CB 3.72Å; F205-K245 WeakPolarHBondContact O-CD 3.14Å; F205-K245 PolarHBondContact O-NZ 2.56Å; F205-K246 HydrophobicContact CE1-CG 3.85Å; F205-K246 HydrophobicContact CZ-CG 3.84Å
206C86.9Confident83.6Confident0 Ų031.4 Ų31.40%016%0.16CC..THydrogen-bonded Turntrans47.955.7178.4-58.90000112.6L194 S204 D208 L209 K245 V249L194-C206 HydrophobicContact CD2-CB 4Å; S204-C206 PolarHBondContact O-N 3.34Å; C206-D208 VanDerWaalsContact C-N 3.27Å; C206-D208 PolarHBondContact O-N 3.3Å; C206-L209 HydrophobicContact CB-CB 4.46Å; C206-L209 HydrophobicContact CB-CD1 3.82Å; C206-L209 HydrophobicContact CB-CG 4.04Å; C206-L209 PolarHBondContact O-N 3.44Å; C206-K245 HydrophobicContact CB-CB 4.42Å; C206-K245 HydrophobicContact CB-CD 4.29Å; C206-V249 WeakPolarHBondContact SG-CG2 3.29Å
207E88.8Confident84.6Confident4 Ų430.5 Ų30.52%0.01915%0.153CC..Hα-helixtrans-58.2-39.6-178.4-161.1170.3-136.200111.5S71 K72 N193 K203 F205 L209 T210 E211S71-E207 WeakPolarHBondContact CA-OE1 3.47Å; S71-E207 VanDerWaalsContact CB-OE1 3.31Å; S71-E207 WeakPolarHBondContact CB-OE1 3.49Å; K72-E207 PolarHBondContact N-OE1 2.89Å; N193-E207 PolarHBondContact OD1-N 3.33Å; K203-E207 WeakPolarHBondContact O-CB 3.13Å; F205-E207 PolarHBondContact O-N 3.11Å; E207-L209 PolarHBondContact O-N 2.73Å; E207-T210 CarbonylContact O-C 3.53Å; E207-T210 WeakPolarHBondContact O-CA 3.25Å; E207-T210 WeakPolarHBondContact O-CB 3.45Å; E207-T210 PolarHBondContact O-N 3.26Å; E207-T210 PolarHBondContact O-OG1 3.43Å; E207-E211 HydrophobicContact CG-CG 4.28Å; E207-E211 WeakPolarHBondContact O-CG 3.39Å; E207-E211 PolarHBondContact O-N 2.96Å
208D92.5Very high85.9Confident3 Ų324.1 Ų24.12%0.01612%0.119CC..Hα-helixtrans-53.6-34.1178.5-76.113.1000112.3N193 L194 C206 G212 K213 S215N193-D208 PolarHBondContact ND2-OD1 3.43Å; N193-D208 PolarHBondContact OD1-N 3.49Å; L194-D208 HydrophobicContact CD2-CB 4.32Å; C206-D208 VanDerWaalsContact C-N 3.27Å; C206-D208 PolarHBondContact O-N 3.3Å; D208-G212 PolarHBondContact O-N 2.72Å; D208-K213 PolarHBondContact O-N 3.44Å; D208-S215 WeakPolarHBondContact OD2-CB 3.35Å
209L95.4Very high87.5Confident0 Ų020 Ų200%010%0.1CC..Hα-helixtrans-71.6-32176.7-59.6-176.6000112.6L194 C206 E207 G212 T218 L235 K245 C248 V249L194-L209 HydrophobicContact CD2-CD1 4.32Å; L194-L209 HydrophobicContact CD2-CD2 4.1Å; L194-L209 HydrophobicContact CD2-CG 3.81Å; C206-L209 HydrophobicContact CB-CB 4.46Å; C206-L209 HydrophobicContact CB-CD1 3.82Å; C206-L209 HydrophobicContact CB-CG 4.04Å; C206-L209 PolarHBondContact O-N 3.44Å; E207-L209 PolarHBondContact O-N 2.73Å; L209-G212 PolarHBondContact O-N 3.43Å; L209-T218 HydrophobicContact CD2-CG2 4.23Å; L209-L235 HydrophobicContact CD2-CD2 3.71Å; L209-K245 HydrophobicContact CB-CG 4.38Å; L209-K245 HydrophobicContact CD1-CB 4.12Å; L209-K245 HydrophobicContact CD1-CG 4.18Å; L209-C248 HydrophobicContact CD1-CB 3.8Å; L209-V249 HydrophobicContact CD1-CG2 4.44Å
210T94.4Very high88.9Confident19 Ų1920.3 Ų20.312%0.11710%0.102CC..Hα-helixtrans-72.6-41.3174.9-380000110.3E207 G212 R238 E240 K245E207-T210 CarbonylContact O-C 3.53Å; E207-T210 WeakPolarHBondContact O-CA 3.25Å; E207-T210 WeakPolarHBondContact O-CB 3.45Å; E207-T210 PolarHBondContact O-N 3.26Å; E207-T210 PolarHBondContact O-OG1 3.43Å; T210-G212 PolarHBondContact O-N 3.02Å; T210-R238 WeakPolarHBondContact O-CA 3.13Å; T210-R238 WeakPolarHBondContact O-CB 3.21Å; T210-R238 WeakPolarHBondContact O-CG 3.31Å; T210-E240 HydrophobicContact CG2-CG 3.7Å; T210-K245 WeakPolarHBondContact OG1-CE 3.47Å; T210-K245 PolarHBondContact OG1-NZ 3.48Å
211E93.6Very high90.2Very high10 Ų1019.2 Ų19.25%0.0479%0.094CC..Hα-helixtrans-64.1-27.7175.2-61.8174.517700110.5D69 S71 R134 E207 K213 R238D69-E211 HydrophobicContact CB-CG 4Å; D69-E211 WeakPolarHBondContact O-CG 3.22Å; S71-E211 PolarHBondContact OG-OE1 3.31Å; R134-E211 WeakPolarHBondContact CD-O 3.35Å; E207-E211 HydrophobicContact CG-CG 4.28Å; E207-E211 WeakPolarHBondContact O-CG 3.39Å; E207-E211 PolarHBondContact O-N 2.96Å; E211-K213 VanDerWaalsContact C-N 3.3Å; E211-K213 HydrophobicContact CB-CB 4.25Å; E211-R238 PolarHBondContact O-NH1 2.92Å
212G95.4Very high91.7Very high0 Ų012.7 Ų12.70%06%0.064CC..THydrogen-bonded Turntrans77.720.5-174.500000112.4R134 D208 L209 T210 L235R134-G212 WeakPolarHBondContact CG-O 3.22Å; D208-G212 PolarHBondContact O-N 2.72Å; L209-G212 PolarHBondContact O-N 3.43Å; T210-G212 PolarHBondContact O-N 3.02Å; G212-L235 VanDerWaalsContact CA-O 3.26Å; G212-L235 WeakPolarHBondContact CA-O 3.45Å
213K95.3Very high93Very high11 Ų1117.2 Ų17.25%0.0488%0.078CC..  trans-72.9141.2-174.1-174.3177.7-179.41790111.5D130 D208 E211 S215D130-K213 VanDerWaalsContact OD2-CE 3.25Å; D130-K213 WeakPolarHBondContact OD2-CE 3.31Å; D130-K213 IonicContact OD2-NZ 3.8Å; D208-K213 PolarHBondContact O-N 3.44Å; E211-K213 VanDerWaalsContact C-N 3.3Å; E211-K213 HydrophobicContact CB-CB 4.25Å; K213-S215 PolarHBondContact O-N 3.34Å
214F98Very high94.4Very high5 Ų518.2 Ų18.22%0.0229%0.088CC..  trans-85.181170.5-65.4-72.1000110W133 C139 P140 I219 I222 L235W133-F214 HydrophobicContact CB-CD2 4.14Å; W133-F214 WeakPolarHBondContact O-CE2 3.29Å; C139-F214 HydrophobicContact CB-CD1 3.83Å; C139-F214 HydrophobicContact CB-CE1 3.63Å; C139-F214 HydrophobicContact CB-CG 4.45Å; C139-F214 HydrophobicContact CB-CZ 4.1Å; P140-F214 HydrophobicContact CG-CB 4.37Å; F214-I219 HydrophobicContact CB-CD1 4.25Å; F214-I219 HydrophobicContact CB-CG1 3.96Å; F214-I219 VanDerWaalsContact O-CD1 3.28Å; F214-I219 WeakPolarHBondContact O-CD1 3.39Å; F214-I222 HydrophobicContact CD1-CD1 3.86Å; F214-I222 HydrophobicContact CE1-CD1 3.78Å; F214-L235 HydrophobicContact CD1-CD1 3.66Å; F214-L235 HydrophobicContact CE1-CD1 3.68Å
215S97.4Very high95.4Very high0 Ų021.9 Ų21.90%010%0.098CC..  trans-82.2160.2174.665.40000112.3D190 D208 K213 T218 I219D190-S215 WeakPolarHBondContact OD2-CA 3.44Å; D190-S215 WeakPolarHBondContact OD2-CB 3.46Å; D208-S215 WeakPolarHBondContact OD2-CB 3.35Å; K213-S215 PolarHBondContact O-N 3.34Å; S215-T218 PolarHBondContact N-OG1 3.02Å; S215-T218 PolarHBondContact O-N 2.9Å; S215-T218 PolarHBondContact O-OG1 3.41Å; S215-I219 PolarHBondContact O-N 3.45Å
216F98.5Very high95.9Very high2 Ų223.9 Ų23.91%0.00912%0.117CC..Hα-helixtrans-48.9-46.8-172.1-168.5-93000114.7E142 Y145 I187 D190 T218 I219 H220 Y260 T261 T264E142-F216 HydrophobicContact CG-CD2 4.45Å; E142-F216 HydrophobicContact CG-CE2 3.65Å; E142-F216 HydrophobicContact CG-CZ 4.27Å; Y145-F216 AromaticContact CD1-CD2 3.84Å; Y145-F216 HydrophobicContact CD1-CD2 3.84Å; Y145-F216 HydrophobicContact CE1-CB 4.07Å; Y145-F216 AromaticContact CE1-CD2 3.58Å; Y145-F216 HydrophobicContact CE1-CD2 3.58Å; Y145-F216 HydrophobicContact CE1-CG 4.31Å; I187-F216 HydrophobicContact CD1-CD2 3.8Å; I187-F216 HydrophobicContact CD1-CE2 3.8Å; I187-F216 HydrophobicContact CD1-CG 4.27Å; I187-F216 HydrophobicContact CD1-CZ 4.3Å; I187-F216 HydrophobicContact CG1-CB 4.22Å; I187-F216 HydrophobicContact CG1-CD2 3.89Å; I187-F216 HydrophobicContact CG1-CE2 4.4Å; I187-F216 HydrophobicContact CG1-CG 4.01Å; I187-F216 HydrophobicContact CG2-CB 4.26Å; I187-F216 HydrophobicContact CG2-CD1 3.85Å; I187-F216 HydrophobicContact CG2-CE1 4.33Å; I187-F216 HydrophobicContact CG2-CG 3.97Å; D190-F216 HydrophobicContact CB-CB 4.45Å; D190-F216 PolarHBondContact OD2-N 3.31Å; F216-T218 VanDerWaalsContact C-N 3.33Å; F216-T218 PolarHBondContact O-N 2.77Å; F216-I219 PolarHBondContact O-N 2.83Å; F216-H220 PolarHBondContact O-N 3.06Å; F216-H220 VanDerWaalsContact O-N 3.12Å; F216-Y260 AromaticContact CE1-CD1 3.76Å; F216-Y260 HydrophobicContact CE1-CD1 3.76Å; F216-Y260 AromaticContact CE1-CE1 3.68Å; F216-Y260 HydrophobicContact CE1-CE1 3.68Å; F216-Y260 HydrophobicContact CZ-CD1 4.21Å; F216-Y260 AromaticContact CZ-CE1 3.64Å; F216-Y260 HydrophobicContact CZ-CE1 3.64Å; F216-T261 HydrophobicContact CD1-CG2 3.92Å; F216-T261 HydrophobicContact CE1-CG2 4.49Å; F216-T264 HydrophobicContact CE1-CG2 4.09Å; F216-T264 HydrophobicContact CE2-CG2 4.42Å; F216-T264 HydrophobicContact CZ-CG2 3.69Å
217P98.1Very high96.2Very high0 Ų030.3 Ų30.30%015%0.147CC..Hα-helixtrans-65.7-33.9178.3-20.233.8000113.6L194 A221 S257 F258 T261L194-P217 HydrophobicContact CD1-CB 4.12Å; L194-P217 HydrophobicContact CD1-CG 4.1Å; P217-A221 PolarHBondContact O-N 3Å; P217-A221 VanDerWaalsContact O-N 3.11Å; P217-S257 VanDerWaalsContact O-CB 3.23Å; P217-S257 WeakPolarHBondContact O-CB 3.16Å; P217-S257 PolarHBondContact O-OG 3.43Å; P217-F258 HydrophobicContact CB-CD1 4.4Å; P217-F258 HydrophobicContact CB-CE1 4.33Å; P217-T261 HydrophobicContact CG-CG2 4.22Å
218T98.3Very high96.5Very high0 Ų031.2 Ų31.20%015%0.154CC..Hα-helixtrans-73.4-40.4179.566.80000111.4L194 L209 S215 F216 H220 A221 I222 V231 L252L194-T218 HydrophobicContact CD1-CG2 4.15Å; L209-T218 HydrophobicContact CD2-CG2 4.23Å; S215-T218 PolarHBondContact N-OG1 3.02Å; S215-T218 PolarHBondContact O-N 2.9Å; S215-T218 PolarHBondContact O-OG1 3.41Å; F216-T218 VanDerWaalsContact C-N 3.33Å; F216-T218 PolarHBondContact O-N 2.77Å; T218-H220 PolarHBondContact O-N 3.11Å; T218-A221 PolarHBondContact O-N 3.45Å; T218-I222 WeakPolarHBondContact O-CD1 3.4Å; T218-I222 VanDerWaalsContact O-CG1 3.25Å; T218-I222 WeakPolarHBondContact O-CG1 3.36Å; T218-I222 PolarHBondContact O-N 3.34Å; T218-V231 HydrophobicContact CG2-CG1 4.3Å; T218-L252 HydrophobicContact CG2-CD1 4.24Å
219I98.7Very high96.7Very high3 Ų335 Ų352%0.01518%0.177CC..Hα-helixtrans-57.2-51.1173.3-68.4168000109.6P140 Y145 F214 S215 F216 A221 I222 W223P140-I219 HydrophobicContact CG-CD1 3.8Å; P140-I219 HydrophobicContact CG-CG1 4.31Å; Y145-I219 HydrophobicContact CD2-CD1 3.37Å; Y145-I219 HydrophobicContact CE2-CD1 4.17Å; Y145-I219 HydrophobicContact CG-CD1 3.62Å; F214-I219 HydrophobicContact CB-CD1 4.25Å; F214-I219 HydrophobicContact CB-CG1 3.96Å; F214-I219 VanDerWaalsContact O-CD1 3.28Å; F214-I219 WeakPolarHBondContact O-CD1 3.39Å; S215-I219 PolarHBondContact O-N 3.45Å; F216-I219 PolarHBondContact O-N 2.83Å; I219-A221 VanDerWaalsContact C-N 3.32Å; I219-A221 PolarHBondContact O-N 3.44Å; I219-I222 PolarHBondContact O-N 2.97Å; I219-W223 VanDerWaalsContact O-CD1 3.27Å; I219-W223 PolarHBondContact O-N 2.74Å
220H98.7Very high96.7Very high35 Ų3538.5 Ų38.516%0.16219%0.194CC..Hα-helixtrans-56.8-45177172.2-86.7000111.9F216 T218 I222 W223 S224 S257 Y260F216-H220 PolarHBondContact O-N 3.06Å; F216-H220 VanDerWaalsContact O-N 3.12Å; T218-H220 PolarHBondContact O-N 3.11Å; H220-I222 VanDerWaalsContact C-N 3.33Å; H220-I222 PolarHBondContact O-N 2.86Å; H220-W223 PolarHBondContact O-N 2.81Å; H220-S224 WeakPolarHBondContact O-CB 3.34Å; H220-S224 PolarHBondContact O-N 3.22Å; H220-S224 PolarHBondContact O-OG 3.42Å; H220-S257 WeakPolarHBondContact ND1-CA 3.28Å; H220-S257 PolarHBondContact ND1-OG 2.92Å; H220-Y260 HydrophobicContact CB-CD1 3.98Å; H220-Y260 HydrophobicContact CB-CE1 4.37Å; H220-Y260 AromaticContact CD2-CD1 3.25Å; H220-Y260 WeakPolarHBondContact CD2-CD1 3.39Å; H220-Y260 AromaticContact CD2-CD2 3.88Å; H220-Y260 AromaticContact CD2-CE1 3.64Å; H220-Y260 AromaticContact CD2-CG 3.37Å; H220-Y260 AromaticContact CG-CD1 3.66Å; H220-Y260 AromaticContact NE2-CD2 3.92Å; H220-Y260 AromaticContact NE2-CG 3.62Å
221A98.3Very high96.8Very high1 Ų137.8 Ų37.81%0.00819%0.189CC..Hα-helixtrans-61.9-40.7-179.800000112.6P217 T218 I219 S224 R225 V231 L252 V255 S257P217-A221 PolarHBondContact O-N 3Å; P217-A221 VanDerWaalsContact O-N 3.11Å; T218-A221 PolarHBondContact O-N 3.45Å; I219-A221 VanDerWaalsContact C-N 3.32Å; I219-A221 PolarHBondContact O-N 3.44Å; A221-S224 PolarHBondContact O-OG 2.86Å; A221-R225 WeakPolarHBondContact O-CB 3.16Å; A221-R225 PolarHBondContact O-N 3.48Å; A221-V231 HydrophobicContact CB-CG2 4.1Å; A221-L252 HydrophobicContact CB-CD2 3.32Å; A221-V255 HydrophobicContact CB-CG2 3.91Å; A221-S257 WeakPolarHBondContact CA-OG 3.33Å; A221-S257 WeakPolarHBondContact CB-OG 3.19Å; A221-S257 PolarHBondContact N-OG 3.35Å
222I98.3Very high97Very high12 Ų1240.3 Ų40.36%0.06220%0.201CC..Hα-helixtrans-66.3-47-179.7-69.1164.3000110.5C139 F214 T218 I219 H220 R225 V231 Q232 L235C139-I222 HydrophobicContact CB-CD1 4.29Å; C139-I222 HydrophobicContact CB-CG2 4.23Å; F214-I222 HydrophobicContact CD1-CD1 3.86Å; F214-I222 HydrophobicContact CE1-CD1 3.78Å; T218-I222 WeakPolarHBondContact O-CD1 3.4Å; T218-I222 VanDerWaalsContact O-CG1 3.25Å; T218-I222 WeakPolarHBondContact O-CG1 3.36Å; T218-I222 PolarHBondContact O-N 3.34Å; I219-I222 PolarHBondContact O-N 2.97Å; H220-I222 VanDerWaalsContact C-N 3.33Å; H220-I222 PolarHBondContact O-N 2.86Å; I222-R225 CarbonylContact O-C 3.53Å; I222-V231 HydrophobicContact CD1-CB 4.4Å; I222-V231 HydrophobicContact CD1-CG1 4.01Å; I222-V231 HydrophobicContact CG1-CB 3.91Å; I222-V231 HydrophobicContact CG1-CG1 3.96Å; I222-Q232 HydrophobicContact CD1-CG 3.67Å; I222-Q232 HydrophobicContact CG1-CG 3.88Å; I222-Q232 HydrophobicContact CG2-CG 4.06Å; I222-L235 HydrophobicContact CD1-CD1 4.42Å
223W98.3Very high97.1Very high141 Ų14143.1 Ų43.153%0.53422%0.216SC..Hα-helixtrans-78.5-30.5-176.8-74.8103.8000114P140 T141 I219 H220 R225P140-W223 PolarHBondContact O-NE1 3.5Å; T141-W223 HydrophobicContact CG2-CH2 4.18Å; T141-W223 HydrophobicContact CG2-CZ2 3.82Å; I219-W223 VanDerWaalsContact O-CD1 3.27Å; I219-W223 PolarHBondContact O-N 2.74Å; H220-W223 PolarHBondContact O-N 2.81Å; W223-R225 VanDerWaalsContact C-N 3.32Å
224S97.3Very high97.2Very high47 Ų4743.3 Ų43.333%0.32922%0.217SC..Hα-helixtrans-77.7-17.5177.862.40000113.6H220 A221H220-S224 WeakPolarHBondContact O-CB 3.34Å; H220-S224 PolarHBondContact O-N 3.22Å; H220-S224 PolarHBondContact O-OG 3.42Å; A221-S224 PolarHBondContact O-OG 2.86Å
225R96.6Very high97.1Very high105 Ų10543.1 Ų43.140%0.39622%0.216SC..  trans-131.561.2-179.3-57.8-65.3175.7-178-1.2111.7A221 I222 W223 E227 S228 V255A221-R225 WeakPolarHBondContact O-CB 3.16Å; A221-R225 PolarHBondContact O-N 3.48Å; I222-R225 CarbonylContact O-C 3.53Å; W223-R225 VanDerWaalsContact C-N 3.32Å; R225-E227 VanDerWaalsContact CA-OE2 3.3Å; R225-E227 WeakPolarHBondContact CA-OE2 3.42Å; R225-E227 WeakPolarHBondContact CD-OE1 3.41Å; R225-E227 PolarHBondContact O-N 3.21Å; R225-E227 VanDerWaalsContact O-N 3.07Å; R225-S228 PolarHBondContact O-N 3.25Å; R225-V255 HydrophobicContact CG-CB 4.09Å; R225-V255 HydrophobicContact CG-CG1 3.85Å
226P94.1Very high97.1Very high103 Ų10349.7 Ų49.767%0.66924%0.241SC*.THydrogen-bonded Turntrans-62.9-17.2-175.828.7-36.9000113.8S228P226-S228 PolarHBondContact O-N 3.01Å
227E94.6Very high97Very high135 Ų13555.1 Ų55.163%0.63127%0.267SS*.THydrogen-bonded Turntrans-69.3-16.9172.872.2-77.9-175.900113.9R225R225-E227 VanDerWaalsContact CA-OE2 3.3Å; R225-E227 WeakPolarHBondContact CA-OE2 3.42Å; R225-E227 WeakPolarHBondContact CD-OE1 3.41Å; R225-E227 PolarHBondContact O-N 3.21Å; R225-E227 VanDerWaalsContact O-N 3.07Å
228S95.3Very high96.8Very high24 Ų2458.8 Ų58.817%0.16828%0.281CS..  trans-118.7125.6-176.5-179.50000111.3R225 P226 Q230 Y251R225-S228 PolarHBondContact O-N 3.25Å; P226-S228 PolarHBondContact O-N 3.01Å; S228-Q230 WeakPolarHBondContact OG-CG 3.37Å; S228-Q230 PolarHBondContact OG-N 3.01Å; S228-Q230 PolarHBondContact OG-OE1 3.32Å; S228-Y251 VanDerWaalsContact CB-OH 3.3Å; S228-Y251 WeakPolarHBondContact CB-OH 3.49Å; S228-Y251 PolarHBondContact OG-OH 3.28Å
229T95.8Very high96.6Very high82 Ų8259.8 Ų59.850%0.50329%0.286SS..  trans-10015.8174.958.90000113.2V231 Q232 N233T229-V231 PolarHBondContact O-N 3.24Å; T229-Q232 VanDerWaalsContact CA-OE1 3.24Å; T229-Q232 PolarHBondContact O-N 2.88Å; T229-N233 PolarHBondContact O-N 3.26Å; T229-N233 PolarHBondContact O-ND2 3.06Å; T229-N233 PolarHBondContact OG1-ND2 3.2Å
230Q95Very high96.3Very high74 Ų7465.5 Ų65.535%0.34631%0.313SS..Hα-helixtrans-61.4-48.8-171.6-73.2179-36.700112.5S228 N233 I234 Y247 Y251S228-Q230 WeakPolarHBondContact OG-CG 3.37Å; S228-Q230 PolarHBondContact OG-N 3.01Å; S228-Q230 PolarHBondContact OG-OE1 3.32Å; Q230-N233 PolarHBondContact O-N 3.14Å; Q230-I234 WeakPolarHBondContact O-CG1 3.25Å; Q230-I234 PolarHBondContact O-N 3.37Å; Q230-Y247 PolarHBondContact NE2-OH 2.91Å; Q230-Y251 VanDerWaalsContact OE1-CE2 3.26Å
231V97.4Very high96.1Very high4 Ų467.4 Ų67.42%0.02432%0.324CS..Hα-helixtrans-63-47.2-178.5179.80000110.7T218 A221 I222 T229 N233 I234 L235 Y251 L252T218-V231 HydrophobicContact CG2-CG1 4.3Å; A221-V231 HydrophobicContact CB-CG2 4.1Å; I222-V231 HydrophobicContact CD1-CB 4.4Å; I222-V231 HydrophobicContact CD1-CG1 4.01Å; I222-V231 HydrophobicContact CG1-CB 3.91Å; I222-V231 HydrophobicContact CG1-CG1 3.96Å; T229-V231 PolarHBondContact O-N 3.24Å; V231-N233 VanDerWaalsContact C-N 3.31Å; V231-N233 PolarHBondContact O-N 3.02Å; V231-I234 PolarHBondContact O-N 2.93Å; V231-I234 VanDerWaalsContact O-N 3.15Å; V231-L235 HydrophobicContact CG1-CD1 4.16Å; V231-L235 HydrophobicContact CG1-CG 4.36Å; V231-L235 WeakPolarHBondContact O-CG 3.37Å; V231-L235 PolarHBondContact O-N 3.02Å; V231-Y251 HydrophobicContact CG2-CD1 3.69Å; V231-Y251 HydrophobicContact CG2-CE1 3.75Å; V231-L252 HydrophobicContact CG2-CD2 4.22Å
232Q97.3Very high95.8Very high63 Ų6372.4 Ų72.429%0.29435%0.349SS..Hα-helixtrans-58.4-42.4178-68145.6-4800112.1I222 T229 L235 R236I222-Q232 HydrophobicContact CD1-CG 3.67Å; I222-Q232 HydrophobicContact CG1-CG 3.88Å; I222-Q232 HydrophobicContact CG2-CG 4.06Å; T229-Q232 VanDerWaalsContact CA-OE1 3.24Å; T229-Q232 PolarHBondContact O-N 2.88Å; Q232-L235 PolarHBondContact O-N 3.49Å; Q232-R236 WeakPolarHBondContact O-CB 3.46Å; Q232-R236 PolarHBondContact O-N 3.45Å
233N97.4Very high95.6Very high58 Ų5877.2 Ų77.231%0.3138%0.375SS..Hα-helixtrans-68.2-36178.6-80.3-68.3000112.5T229 Q230 V231 R236 Q237T229-N233 PolarHBondContact O-N 3.26Å; T229-N233 PolarHBondContact O-ND2 3.06Å; T229-N233 PolarHBondContact OG1-ND2 3.2Å; Q230-N233 PolarHBondContact O-N 3.14Å; V231-N233 VanDerWaalsContact C-N 3.31Å; V231-N233 PolarHBondContact O-N 3.02Å; N233-R236 PolarHBondContact O-N 3.31Å; N233-R236 PolarHBondContact OD1-NH2 3.02Å; N233-Q237 WeakPolarHBondContact O-CG 3.23Å; N233-Q237 PolarHBondContact O-N 2.94Å
234I97.3Very high95.5Very high15 Ų1572.9 Ų72.98%0.07736%0.362CS..Hα-helixtrans-66.2-47.7175-69.8169.1000110.6Q230 V231 R236 Q237 I244 Y247 C248Q230-I234 WeakPolarHBondContact O-CG1 3.25Å; Q230-I234 PolarHBondContact O-N 3.37Å; V231-I234 PolarHBondContact O-N 2.93Å; V231-I234 VanDerWaalsContact O-N 3.15Å; I234-R236 VanDerWaalsContact C-N 3.27Å; I234-R236 PolarHBondContact O-N 2.97Å; I234-Q237 WeakPolarHBondContact O-CB 3.49Å; I234-Q237 PolarHBondContact O-N 3.08Å; I234-I244 HydrophobicContact CD1-CG2 4.25Å; I234-I244 HydrophobicContact CG1-CG2 3.98Å; I234-I244 HydrophobicContact CG2-CG2 3.87Å; I234-Y247 HydrophobicContact CD1-CD1 4.01Å; I234-Y247 HydrophobicContact CD1-CE1 4.33Å; I234-C248 HydrophobicContact CD1-CB 3.86Å; I234-C248 HydrophobicContact CG2-CB 4.2Å
235L97.3Very high95.4Very high1 Ų171.2 Ų71.21%0.00535%0.349CS..Hα-helixtrans-57.7-42.1176.6-67.1178000111.4L209 G212 F214 I222 V231 Q232 Q237 R238L209-L235 HydrophobicContact CD2-CD2 3.71Å; G212-L235 VanDerWaalsContact CA-O 3.26Å; G212-L235 WeakPolarHBondContact CA-O 3.45Å; F214-L235 HydrophobicContact CD1-CD1 3.66Å; F214-L235 HydrophobicContact CE1-CD1 3.68Å; I222-L235 HydrophobicContact CD1-CD1 4.42Å; V231-L235 HydrophobicContact CG1-CD1 4.16Å; V231-L235 HydrophobicContact CG1-CG 4.36Å; V231-L235 WeakPolarHBondContact O-CG 3.37Å; V231-L235 PolarHBondContact O-N 3.02Å; Q232-L235 PolarHBondContact O-N 3.49Å; L235-Q237 PolarHBondContact O-N 3.17Å; L235-R238 PolarHBondContact O-N 3.38Å; L235-R238 VanDerWaalsContact O-N 3.16Å
236R96.5Very high95.3Very high138 Ų13870.7 Ų70.752%0.52135%0.349SS..Hα-helixtrans-63.4-27.5177.3-175.9169.767.9142.7-0.5113.9Y137 Q232 N233 I234 R238Y137-R236 HydrophobicContact CD1-CB 3.81Å; Y137-R236 HydrophobicContact CD1-CG 3.8Å; Y137-R236 HydrophobicContact CD2-CG 4.39Å; Y137-R236 HydrophobicContact CE1-CB 3.84Å; Y137-R236 HydrophobicContact CE1-CG 3.6Å; Y137-R236 HydrophobicContact CE2-CG 4.2Å; Y137-R236 HydrophobicContact CG-CG 4.19Å; Q232-R236 WeakPolarHBondContact O-CB 3.46Å; Q232-R236 PolarHBondContact O-N 3.45Å; N233-R236 PolarHBondContact O-N 3.31Å; N233-R236 PolarHBondContact OD1-NH2 3.02Å; I234-R236 VanDerWaalsContact C-N 3.27Å; I234-R236 PolarHBondContact O-N 2.97Å; R236-R238 VanDerWaalsContact C-N 3.28Å; R236-R238 PolarHBondContact O-N 2.67Å
237Q95.9Very high95.3Very high117 Ų11771 Ų7155%0.54734%0.338SS..Hα-helixtrans-72.6-21.1178.1-74.9175.86.400113.2N233 I234 L235 T239N233-Q237 WeakPolarHBondContact O-CG 3.23Å; N233-Q237 PolarHBondContact O-N 2.94Å; I234-Q237 WeakPolarHBondContact O-CB 3.49Å; I234-Q237 PolarHBondContact O-N 3.08Å; L235-Q237 PolarHBondContact O-N 3.17Å; Q237-T239 PolarHBondContact O-N 2.86Å
238R94.9Very high95.4Very high77 Ų7764.6 Ų64.629%0.29131%0.308SS..THydrogen-bonded Turntrans47.745.2-174.7-63-168.4-174-125.35112.1D135 T210 E211 L235 R236D135-R238 IonicContact OD1-CZ 3.66Å; D135-R238 IonicContact OD1-NH1 3.57Å; D135-R238 IonicContact OD1-NH2 3.48Å; D135-R238 PolarHBondContact OD1-NH2 2.72Å; T210-R238 WeakPolarHBondContact O-CA 3.13Å; T210-R238 WeakPolarHBondContact O-CB 3.21Å; T210-R238 WeakPolarHBondContact O-CG 3.31Å; E211-R238 PolarHBondContact O-NH1 2.92Å; L235-R238 PolarHBondContact O-N 3.38Å; L235-R238 VanDerWaalsContact O-N 3.16Å; R236-R238 VanDerWaalsContact C-N 3.28Å; R236-R238 PolarHBondContact O-N 2.67Å
239T93.6Very high95.5Very high20 Ų2064.6 Ų64.612%0.12331%0.307CS..  trans-79.1136.8-166.7-172.40000111.9Q237 N241 I244 K245Q237-T239 PolarHBondContact O-N 2.86Å; T239-N241 VanDerWaalsContact C-N 3.33Å; T239-N241 VanDerWaalsContact OG1-CB 3.28Å; T239-N241 WeakPolarHBondContact OG1-CB 3.35Å; T239-N241 PolarHBondContact OG1-N 2.89Å; T239-N241 VanDerWaalsContact OG1-N 3.12Å; T239-I244 HydrophobicContact CG2-CB 3.98Å; T239-I244 HydrophobicContact CG2-CD1 4.45Å; T239-I244 HydrophobicContact CG2-CG2 3.7Å; T239-K245 WeakPolarHBondContact O-CE 3.35Å
240E93.1Very high95.4Very high124 Ų12465.1 Ų65.158%0.57931%0.306SS*.  trans-89.1-3.7168-65.6-175.3-177.700112K72 T210 M242K72-E240 VanDerWaalsContact CE-OE1 3.29Å; K72-E240 WeakPolarHBondContact CE-OE1 3.29Å; K72-E240 IonicContact NZ-OE1 3.91Å; T210-E240 HydrophobicContact CG2-CG 3.7Å; E240-M242 PolarHBondContact O-N 3.38Å
241N94.4Very high95.5Very high74 Ų7463.2 Ų63.240%0.39630%0.296SS..  trans-68.4118.9-177.7-176.7-65.9000111.6T239 D243 I244 K245T239-N241 VanDerWaalsContact C-N 3.33Å; T239-N241 VanDerWaalsContact OG1-CB 3.28Å; T239-N241 WeakPolarHBondContact OG1-CB 3.35Å; T239-N241 PolarHBondContact OG1-N 2.89Å; T239-N241 VanDerWaalsContact OG1-N 3.12Å; N241-D243 VanDerWaalsContact C-N 3.34Å; N241-D243 PolarHBondContact O-N 3.28Å; N241-D243 WeakPolarHBondContact OD1-CA 3.29Å; N241-D243 WeakPolarHBondContact OD1-CB 3.47Å; N241-D243 PolarHBondContact OD1-N 3.43Å; N241-I244 HydrophobicContact CB-CB 4.35Å; N241-I244 HydrophobicContact CB-CD1 3.9Å; N241-I244 HydrophobicContact CB-CG1 4.21Å; N241-I244 PolarHBondContact O-N 3.32Å; N241-I244 PolarHBondContact OD1-N 2.96Å; N241-K245 WeakPolarHBondContact O-CG 3.25Å; N241-K245 PolarHBondContact O-N 3.08Å; N241-K245 VanDerWaalsContact O-N 3.15Å
242M92.4Very high95.5Very high107 Ų10763 Ų6353%0.52730%0.295SS..Hα-helixtrans-62.3-35.9-177.7-71.6-177.958.200114E240 K245 K246E240-M242 PolarHBondContact O-N 3.38Å; M242-K245 PolarHBondContact O-N 2.89Å; M242-K246 WeakPolarHBondContact O-CB 3.38Å; M242-K246 VanDerWaalsContact O-CG 3.3Å; M242-K246 WeakPolarHBondContact O-CG 3.33Å; M242-K246 PolarHBondContact O-N 3.23Å
243D94Very high95.4Very high113 Ų11363.7 Ų63.760%0.60430%0.298SS*.Hα-helixtrans-70.6-38.5-178-60-40.9000110.9N241 K246 Y247N241-D243 VanDerWaalsContact C-N 3.34Å; N241-D243 PolarHBondContact O-N 3.28Å; N241-D243 WeakPolarHBondContact OD1-CA 3.29Å; N241-D243 WeakPolarHBondContact OD1-CB 3.47Å; N241-D243 PolarHBondContact OD1-N 3.43Å; D243-K246 PolarHBondContact O-N 3Å; D243-Y247 VanDerWaalsContact O-CB 3.29Å; D243-Y247 WeakPolarHBondContact O-CB 3.47Å; D243-Y247 PolarHBondContact O-N 3.41Å
244I95.3Very high95.3Very high50 Ų5068.9 Ų68.926%0.25632%0.318SS..Hα-helixtrans-64.8-41.9173.9-63.6168.4000110.6I234 T239 N241 Y247 C248I234-I244 HydrophobicContact CD1-CG2 4.25Å; I234-I244 HydrophobicContact CG1-CG2 3.98Å; I234-I244 HydrophobicContact CG2-CG2 3.87Å; T239-I244 HydrophobicContact CG2-CB 3.98Å; T239-I244 HydrophobicContact CG2-CD1 4.45Å; T239-I244 HydrophobicContact CG2-CG2 3.7Å; N241-I244 HydrophobicContact CB-CB 4.35Å; N241-I244 HydrophobicContact CB-CD1 3.9Å; N241-I244 HydrophobicContact CB-CG1 4.21Å; N241-I244 PolarHBondContact O-N 3.32Å; N241-I244 PolarHBondContact OD1-N 2.96Å; I244-Y247 PolarHBondContact O-N 3.43Å; I244-C248 PolarHBondContact O-N 3.38Å
245K94.9Very high95.3Very high12 Ų1269.1 Ų69.15%0.05232%0.32CS..Hα-helixtrans-62.3-48.7176.5-70.5176.5172.5-171.40111.9F205 C206 L209 T210 T239 N241 M242 Y247 C248 V249F205-K245 HydrophobicContact CD1-CB 4.07Å; F205-K245 HydrophobicContact CD1-CD 4.05Å; F205-K245 HydrophobicContact CE1-CB 3.72Å; F205-K245 WeakPolarHBondContact O-CD 3.14Å; F205-K245 PolarHBondContact O-NZ 2.56Å; C206-K245 HydrophobicContact CB-CB 4.42Å; C206-K245 HydrophobicContact CB-CD 4.29Å; L209-K245 HydrophobicContact CB-CG 4.38Å; L209-K245 HydrophobicContact CD1-CB 4.12Å; L209-K245 HydrophobicContact CD1-CG 4.18Å; T210-K245 WeakPolarHBondContact OG1-CE 3.47Å; T210-K245 PolarHBondContact OG1-NZ 3.48Å; T239-K245 WeakPolarHBondContact O-CE 3.35Å; N241-K245 WeakPolarHBondContact O-CG 3.25Å; N241-K245 PolarHBondContact O-N 3.08Å; N241-K245 VanDerWaalsContact O-N 3.15Å; M242-K245 PolarHBondContact O-N 2.89Å; K245-Y247 VanDerWaalsContact C-N 3.32Å; K245-Y247 PolarHBondContact O-N 3.49Å; K245-C248 WeakPolarHBondContact O-CB 3.44Å; K245-C248 PolarHBondContact O-N 3.15Å; K245-C248 VanDerWaalsContact O-N 3.12Å; K245-V249 WeakPolarHBondContact O-CG2 3.39Å; K245-V249 PolarHBondContact O-N 3.04Å
246K94.1Very high95.3Very high93 Ų9370.3 Ų70.340%0.40433%0.332SS..Hα-helixtrans-58.6-44.4176-74172.7-178.5175.70111.6F205 M242 D243 C248 V249 D250F205-K246 HydrophobicContact CE1-CG 3.85Å; F205-K246 HydrophobicContact CZ-CG 3.84Å; M242-K246 WeakPolarHBondContact O-CB 3.38Å; M242-K246 VanDerWaalsContact O-CG 3.3Å; M242-K246 WeakPolarHBondContact O-CG 3.33Å; M242-K246 PolarHBondContact O-N 3.23Å; D243-K246 PolarHBondContact O-N 3Å; K246-C248 VanDerWaalsContact C-N 3.3Å; K246-C248 PolarHBondContact O-N 2.61Å; K246-V249 PolarHBondContact O-N 2.91Å; K246-D250 WeakPolarHBondContact O-CB 3.33Å; K246-D250 PolarHBondContact O-N 2.87Å
247Y95.8Very high95.4Very high110 Ų11063.7 Ų63.743%0.43131%0.308SS..Hα-helixtrans-57.7-43175.1175.4-88.8000112.2Q230 I234 D243 I244 K245 Y251Q230-Y247 PolarHBondContact NE2-OH 2.91Å; I234-Y247 HydrophobicContact CD1-CD1 4.01Å; I234-Y247 HydrophobicContact CD1-CE1 4.33Å; D243-Y247 VanDerWaalsContact O-CB 3.29Å; D243-Y247 WeakPolarHBondContact O-CB 3.47Å; D243-Y247 PolarHBondContact O-N 3.41Å; I244-Y247 PolarHBondContact O-N 3.43Å; K245-Y247 VanDerWaalsContact C-N 3.32Å; K245-Y247 PolarHBondContact O-N 3.49Å; Y247-Y251 WeakPolarHBondContact O-CB 3.41Å; Y247-Y251 PolarHBondContact O-N 3.37Å
248C97.1Very high95.4Very high1 Ų158.4 Ų58.41%0.00728%0.283CS..Hα-helixtrans-63.5-48.7176.9-166.60000111.5L209 I234 I244 K245 K246 D250 Y251 L252L209-C248 HydrophobicContact CD1-CB 3.8Å; I234-C248 HydrophobicContact CD1-CB 3.86Å; I234-C248 HydrophobicContact CG2-CB 4.2Å; I244-C248 PolarHBondContact O-N 3.38Å; K245-C248 WeakPolarHBondContact O-CB 3.44Å; K245-C248 PolarHBondContact O-N 3.15Å; K245-C248 VanDerWaalsContact O-N 3.12Å; K246-C248 VanDerWaalsContact C-N 3.3Å; K246-C248 PolarHBondContact O-N 2.61Å; C248-D250 PolarHBondContact O-N 3.07Å; C248-Y251 WeakPolarHBondContact O-CA 3.33Å; C248-Y251 WeakPolarHBondContact O-CB 3.46Å; C248-Y251 PolarHBondContact O-N 3.36Å; C248-Y251 VanDerWaalsContact O-N 3.08Å; C248-L252 WeakPolarHBondContact O-CG 3.47Å; C248-L252 PolarHBondContact O-N 3.26Å
249V95.7Very high95.5Very high23 Ų2356.6 Ų56.614%0.13928%0.284CS..Hα-helixtrans-58.1-46.3177.6171.30000111.4C206 L209 K245 K246 Y251 L252 E253 F258C206-V249 WeakPolarHBondContact SG-CG2 3.29Å; L209-V249 HydrophobicContact CD1-CG2 4.44Å; K245-V249 WeakPolarHBondContact O-CG2 3.39Å; K245-V249 PolarHBondContact O-N 3.04Å; K246-V249 PolarHBondContact O-N 2.91Å; V249-Y251 PolarHBondContact O-N 3.46Å; V249-L252 WeakPolarHBondContact O-CB 3.45Å; V249-L252 PolarHBondContact O-N 3.3Å; V249-L252 VanDerWaalsContact O-N 3.14Å; V249-E253 PolarHBondContact O-N 3.37Å; V249-F258 HydrophobicContact CG1-CE2 3.89Å; V249-F258 HydrophobicContact CG1-CZ 4.04Å
250D95.3Very high95.7Very high93 Ų9359.7 Ų59.750%0.49729%0.294SS..Hα-helixtrans-59.9-37.3176-76.7-13.7000111.9K246 C248 K254K246-D250 WeakPolarHBondContact O-CB 3.33Å; K246-D250 PolarHBondContact O-N 2.87Å; C248-D250 PolarHBondContact O-N 3.07Å; D250-K254 VanDerWaalsContact O-CG 3.25Å; D250-K254 WeakPolarHBondContact O-CG 3.32Å; D250-K254 PolarHBondContact O-N 3.44Å; D250-K254 VanDerWaalsContact O-N 3.08Å
251Y96.9Very high95.9Very high35 Ų3553.8 Ų53.814%0.13727%0.267CS..Hα-helixtrans-66.7-44.6174.9-177.4-99.5000111.6S228 Q230 V231 Y247 C248 V249 E253 K254 V255S228-Y251 VanDerWaalsContact CB-OH 3.3Å; S228-Y251 WeakPolarHBondContact CB-OH 3.49Å; S228-Y251 PolarHBondContact OG-OH 3.28Å; Q230-Y251 VanDerWaalsContact OE1-CE2 3.26Å; V231-Y251 HydrophobicContact CG2-CD1 3.69Å; V231-Y251 HydrophobicContact CG2-CE1 3.75Å; Y247-Y251 WeakPolarHBondContact O-CB 3.41Å; Y247-Y251 PolarHBondContact O-N 3.37Å; C248-Y251 WeakPolarHBondContact O-CA 3.33Å; C248-Y251 WeakPolarHBondContact O-CB 3.46Å; C248-Y251 PolarHBondContact O-N 3.36Å; C248-Y251 VanDerWaalsContact O-N 3.08Å; V249-Y251 PolarHBondContact O-N 3.46Å; Y251-E253 VanDerWaalsContact C-N 3.31Å; Y251-E253 PolarHBondContact O-N 3.26Å; Y251-K254 PolarHBondContact O-N 3.37Å; Y251-V255 HydrophobicContact CD1-CG1 4.34Å; Y251-V255 HydrophobicContact CD2-CG1 4.36Å; Y251-V255 HydrophobicContact CE1-CG1 3.91Å; Y251-V255 HydrophobicContact CE2-CG1 3.93Å; Y251-V255 WeakPolarHBondContact O-CG2 3.39Å; Y251-V255 PolarHBondContact O-N 2.92Å
252L97.4Very high96Very high0 Ų050.8 Ų50.80%025%0.25CC..Hα-helixtrans-58.1-40.8176.3-64.2-179.6000112.1L194 T218 A221 V231 C248 V249 G256 S257 F258L194-L252 HydrophobicContact CD1-CD1 3.84Å; T218-L252 HydrophobicContact CG2-CD1 4.24Å; A221-L252 HydrophobicContact CB-CD2 3.32Å; V231-L252 HydrophobicContact CG2-CD2 4.22Å; C248-L252 WeakPolarHBondContact O-CG 3.47Å; C248-L252 PolarHBondContact O-N 3.26Å; V249-L252 WeakPolarHBondContact O-CB 3.45Å; V249-L252 PolarHBondContact O-N 3.3Å; V249-L252 VanDerWaalsContact O-N 3.14Å; L252-G256 PolarHBondContact O-N 2.78Å; L252-S257 WeakPolarHBondContact O-CB 3.45Å; L252-S257 PolarHBondContact O-N 2.88Å; L252-F258 HydrophobicContact CB-CD2 4.31Å; L252-F258 HydrophobicContact CB-CE2 3.83Å; L252-F258 HydrophobicContact CB-CZ 4.07Å; L252-F258 HydrophobicContact CD1-CZ 4.1Å
253E94.9Very high96.3Very high77 Ų7750 Ų5036%0.3625%0.245SC..Hα-helixtrans-65.2-47.1174.5-177.761.1-153.200111.3V249 Y251 V255 G256 F258V249-E253 PolarHBondContact O-N 3.37Å; Y251-E253 VanDerWaalsContact C-N 3.31Å; Y251-E253 PolarHBondContact O-N 3.26Å; E253-V255 VanDerWaalsContact C-N 3.3Å; E253-V255 PolarHBondContact O-N 3.28Å; E253-G256 PolarHBondContact O-N 3.19Å; E253-F258 HydrophobicContact CB-CD2 3.88Å; E253-F258 HydrophobicContact CB-CE2 4.27Å; E253-F258 WeakPolarHBondContact OE2-CB 3.42Å; E253-F258 VanDerWaalsContact OE2-CD2 3.24Å; E253-F258 WeakPolarHBondContact OE2-CD2 3.47Å
254K95.8Very high96.5Very high166 Ų16645 Ų4572%0.72222%0.218SC*.Hα-helixtrans-59.8-36.9-179.7-76.5169.2-174.2168.50113.3D250 Y251 G256D250-K254 VanDerWaalsContact O-CG 3.25Å; D250-K254 WeakPolarHBondContact O-CG 3.32Å; D250-K254 PolarHBondContact O-N 3.44Å; D250-K254 VanDerWaalsContact O-N 3.08Å; Y251-K254 PolarHBondContact O-N 3.37Å; K254-G256 VanDerWaalsContact C-N 3.27Å
255V96.9Very high96.6Very high21 Ų2142.6 Ų42.613%0.12721%0.206CC..THydrogen-bonded Turntrans-86-0.7179.2-54.60000112.9A221 R225 Y251 E253A221-V255 HydrophobicContact CB-CG2 3.91Å; R225-V255 HydrophobicContact CG-CB 4.09Å; R225-V255 HydrophobicContact CG-CG1 3.85Å; Y251-V255 HydrophobicContact CD1-CG1 4.34Å; Y251-V255 HydrophobicContact CD2-CG1 4.36Å; Y251-V255 HydrophobicContact CE1-CG1 3.91Å; Y251-V255 HydrophobicContact CE2-CG1 3.93Å; Y251-V255 WeakPolarHBondContact O-CG2 3.39Å; Y251-V255 PolarHBondContact O-N 2.92Å; E253-V255 VanDerWaalsContact C-N 3.3Å; E253-V255 PolarHBondContact O-N 3.28Å
256G97.3Very high96.7Very high25 Ų2545.5 Ų45.526%0.25822%0.217SC..THydrogen-bonded Turntrans83.811.8174.300000114.9L252 E253 K254 F258 A259 Y260L252-G256 PolarHBondContact O-N 2.78Å; E253-G256 PolarHBondContact O-N 3.19Å; K254-G256 VanDerWaalsContact C-N 3.27Å; G256-F258 VanDerWaalsContact C-N 3.33Å; G256-F258 PolarHBondContact O-N 3.05Å; G256-A259 PolarHBondContact O-N 3.08Å; G256-Y260 PolarHBondContact O-N 3.01Å
257S98Very high96.8Very high0 Ų045.3 Ų45.30%022%0.22CC..Hα-helixtrans-61.5-38.4-178.6-710000113.4P217 H220 A221 L252 T261P217-S257 VanDerWaalsContact O-CB 3.23Å; P217-S257 WeakPolarHBondContact O-CB 3.16Å; P217-S257 PolarHBondContact O-OG 3.43Å; H220-S257 WeakPolarHBondContact ND1-CA 3.28Å; H220-S257 PolarHBondContact ND1-OG 2.92Å; A221-S257 WeakPolarHBondContact CA-OG 3.33Å; A221-S257 WeakPolarHBondContact CB-OG 3.19Å; A221-S257 PolarHBondContact N-OG 3.35Å; L252-S257 WeakPolarHBondContact O-CB 3.45Å; L252-S257 PolarHBondContact O-N 2.88Å; S257-T261 WeakPolarHBondContact O-CB 3.02Å; S257-T261 PolarHBondContact O-N 3.03Å; S257-T261 PolarHBondContact O-OG1 2.83Å
258F96.3Very high97Very high6 Ų640.8 Ų40.83%0.02620%0.203CC..Hα-helixtrans-68.8-38.5176.9-69.5-50.8000112.1Y191 L194 P217 V249 L252 E253 G256 T261 R262Y191-F258 AromaticContact CD2-CD1 3.91Å; Y191-F258 HydrophobicContact CD2-CD1 3.91Å; Y191-F258 HydrophobicContact CE2-CB 4.04Å; Y191-F258 AromaticContact CE2-CD1 3.75Å; Y191-F258 HydrophobicContact CE2-CD1 3.75Å; Y191-F258 HydrophobicContact CE2-CG 4.25Å; L194-F258 HydrophobicContact CB-CE1 3.78Å; L194-F258 HydrophobicContact CB-CZ 3.94Å; L194-F258 HydrophobicContact CD1-CE1 4.49Å; P217-F258 HydrophobicContact CB-CD1 4.4Å; P217-F258 HydrophobicContact CB-CE1 4.33Å; V249-F258 HydrophobicContact CG1-CE2 3.89Å; V249-F258 HydrophobicContact CG1-CZ 4.04Å; L252-F258 HydrophobicContact CB-CD2 4.31Å; L252-F258 HydrophobicContact CB-CE2 3.83Å; L252-F258 HydrophobicContact CB-CZ 4.07Å; L252-F258 HydrophobicContact CD1-CZ 4.1Å; E253-F258 HydrophobicContact CB-CD2 3.88Å; E253-F258 HydrophobicContact CB-CE2 4.27Å; E253-F258 WeakPolarHBondContact OE2-CB 3.42Å; E253-F258 VanDerWaalsContact OE2-CD2 3.24Å; E253-F258 WeakPolarHBondContact OE2-CD2 3.47Å; G256-F258 VanDerWaalsContact C-N 3.33Å; G256-F258 PolarHBondContact O-N 3.05Å; F258-T261 PolarHBondContact O-N 2.96Å; F258-R262 WeakPolarHBondContact O-CG 3.47Å; F258-R262 PolarHBondContact O-N 3.04Å
259A96.1Very high97Very high39 Ų3941.9 Ų41.932%0.32221%0.208SC..Hα-helixtrans-64.2-45.4174.900000111.8G256 T261 R262 Q263G256-A259 PolarHBondContact O-N 3.08Å; A259-T261 VanDerWaalsContact C-N 3.31Å; A259-T261 PolarHBondContact O-N 2.98Å; A259-R262 PolarHBondContact O-N 3.32Å; A259-Q263 PolarHBondContact O-N 3.11Å
260Y98.1Very high97.1Very high84 Ų8443.7 Ų43.733%0.32923%0.225SC..Hα-helixtrans-59.1-42.3174.2-177.6-101.4000112.2E142 F216 H220 G256 Q263 T264E142-Y260 PolarHBondContact OE1-OH 3.29Å; E142-Y260 WeakPolarHBondContact OE2-CE1 3.25Å; E142-Y260 PolarHBondContact OE2-OH 2.64Å; F216-Y260 AromaticContact CE1-CD1 3.76Å; F216-Y260 HydrophobicContact CE1-CD1 3.76Å; F216-Y260 AromaticContact CE1-CE1 3.68Å; F216-Y260 HydrophobicContact CE1-CE1 3.68Å; F216-Y260 HydrophobicContact CZ-CD1 4.21Å; F216-Y260 AromaticContact CZ-CE1 3.64Å; F216-Y260 HydrophobicContact CZ-CE1 3.64Å; H220-Y260 HydrophobicContact CB-CD1 3.98Å; H220-Y260 HydrophobicContact CB-CE1 4.37Å; H220-Y260 AromaticContact CD2-CD1 3.25Å; H220-Y260 WeakPolarHBondContact CD2-CD1 3.39Å; H220-Y260 AromaticContact CD2-CD2 3.88Å; H220-Y260 AromaticContact CD2-CE1 3.64Å; H220-Y260 AromaticContact CD2-CG 3.37Å; H220-Y260 AromaticContact CG-CD1 3.66Å; H220-Y260 AromaticContact NE2-CD2 3.92Å; H220-Y260 AromaticContact NE2-CG 3.62Å; G256-Y260 PolarHBondContact O-N 3.01Å; Y260-Q263 PolarHBondContact O-N 2.75Å; Y260-T264 PolarHBondContact O-N 2.77Å; Y260-T264 PolarHBondContact O-OG1 3.37Å
261T97.9Very high97.2Very high0 Ų042.3 Ų42.30%022%0.216CC..Hα-helixtrans-62.6-45.8177.2-54.70000111.9I187 Y191 F216 P217 S257 F258 A259 T264 L265I187-T261 HydrophobicContact CG2-CG2 3.72Å; Y191-T261 HydrophobicContact CD2-CG2 3.77Å; Y191-T261 HydrophobicContact CG-CG2 4.18Å; F216-T261 HydrophobicContact CD1-CG2 3.92Å; F216-T261 HydrophobicContact CE1-CG2 4.49Å; P217-T261 HydrophobicContact CG-CG2 4.22Å; S257-T261 WeakPolarHBondContact O-CB 3.02Å; S257-T261 PolarHBondContact O-N 3.03Å; S257-T261 PolarHBondContact O-OG1 2.83Å; F258-T261 PolarHBondContact O-N 2.96Å; A259-T261 VanDerWaalsContact C-N 3.31Å; A259-T261 PolarHBondContact O-N 2.98Å; T261-T264 WeakPolarHBondContact O-CB 3.45Å; T261-T264 PolarHBondContact O-N 3.45Å; T261-L265 HydrophobicContact CG2-CD1 4.42Å; T261-L265 WeakPolarHBondContact O-CG 3.49Å; T261-L265 PolarHBondContact O-N 3.03Å
262R96.3Very high97.2Very high12 Ų1240.7 Ų40.75%0.04521%0.21CC..Hα-helixtrans-62.6-41.9176.6-72.1-168.6-65.8-84.3-1.3112.2Y191 F258 A259 T264 L265 R266 H296 E300Y191-R262 HydrophobicContact CE2-CG 3.83Å; Y191-R262 PolarHBondContact OH-NH1 3.34Å; F258-R262 WeakPolarHBondContact O-CG 3.47Å; F258-R262 PolarHBondContact O-N 3.04Å; A259-R262 PolarHBondContact O-N 3.32Å; R262-T264 VanDerWaalsContact C-N 3.35Å; R262-L265 PolarHBondContact O-N 2.68Å; R262-R266 WeakPolarHBondContact O-CG 3.47Å; R262-R266 PolarHBondContact O-N 2.77Å; R262-H296 WeakPolarHBondContact CD-O 3.36Å; R262-H296 HydrophobicContact CG-CB 4.17Å; R262-E300 IonicContact NE-OE2 2.86Å
263Q97.6Very high97.3Very high89 Ų8943.7 Ų43.742%0.41622%0.222SC..Hα-helixtrans-61.3-45.7175.6-17458.248.900111.1A259 Y260 L265 R266 D267A259-Q263 PolarHBondContact O-N 3.11Å; Y260-Q263 PolarHBondContact O-N 2.75Å; Q263-L265 VanDerWaalsContact C-N 3.29Å; Q263-L265 PolarHBondContact O-N 3.12Å; Q263-R266 WeakPolarHBondContact O-CB 3.18Å; Q263-R266 PolarHBondContact O-N 3.18Å; Q263-R266 VanDerWaalsContact O-N 3.11Å; Q263-D267 PolarHBondContact NE2-OD1 3.22Å; Q263-D267 VanDerWaalsContact O-CG 3.27Å; Q263-D267 PolarHBondContact O-N 3.14Å
264T98.2Very high97.4Very high8 Ų845.1 Ų45.15%0.04922%0.224CC..Hα-helixtrans-58-41.6175.9-60.40000112.2R146 I187 F216 Y260 T261 R262 R266 D267 L268R146-T264 VanDerWaalsContact NH2-CG2 3.28Å; I187-T264 HydrophobicContact CD1-CG2 3.98Å; F216-T264 HydrophobicContact CE1-CG2 4.09Å; F216-T264 HydrophobicContact CE2-CG2 4.42Å; F216-T264 HydrophobicContact CZ-CG2 3.69Å; Y260-T264 PolarHBondContact O-N 2.77Å; Y260-T264 PolarHBondContact O-OG1 3.37Å; T261-T264 WeakPolarHBondContact O-CB 3.45Å; T261-T264 PolarHBondContact O-N 3.45Å; R262-T264 VanDerWaalsContact C-N 3.35Å; T264-R266 VanDerWaalsContact C-N 3.34Å; T264-D267 PolarHBondContact O-N 2.91Å; T264-L268 HydrophobicContact CG2-CD1 4.01Å; T264-L268 WeakPolarHBondContact O-CB 3.33Å; T264-L268 WeakPolarHBondContact O-CG 3.46Å; T264-L268 PolarHBondContact O-N 3.04Å
265L97.7Very high97.6Very high0 Ų038 Ų380%019%0.194CC..Hα-helixtrans-64.3-37.9176.9-74.5170.5000112.6F184 I187 R188 T261 R262 Q263 E269 H296F184-L265 HydrophobicContact CD2-CD2 3.83Å; F184-L265 HydrophobicContact CE2-CD2 4.12Å; I187-L265 HydrophobicContact CB-CD2 4.01Å; I187-L265 HydrophobicContact CG2-CD2 3.82Å; I187-L265 HydrophobicContact CG2-CG 3.94Å; R188-L265 HydrophobicContact CB-CD1 4.45Å; R188-L265 HydrophobicContact CB-CD2 3.91Å; T261-L265 HydrophobicContact CG2-CD1 4.42Å; T261-L265 WeakPolarHBondContact O-CG 3.49Å; T261-L265 PolarHBondContact O-N 3.03Å; R262-L265 PolarHBondContact O-N 2.68Å; Q263-L265 VanDerWaalsContact C-N 3.29Å; Q263-L265 PolarHBondContact O-N 3.12Å; L265-E269 WeakPolarHBondContact O-CB 3.14Å; L265-E269 PolarHBondContact O-N 3.29Å; L265-H296 HydrophobicContact CD1-CB 4.07Å
266R96.8Very high97.6Very high73 Ų7337 Ų3728%0.27519%0.187SC..Hα-helixtrans-66.3-42174.9-72.1172.1168.9174.3-5.5112.1R262 Q263 T264 L268 E269 A270 E300R262-R266 WeakPolarHBondContact O-CG 3.47Å; R262-R266 PolarHBondContact O-N 2.77Å; Q263-R266 WeakPolarHBondContact O-CB 3.18Å; Q263-R266 PolarHBondContact O-N 3.18Å; Q263-R266 VanDerWaalsContact O-N 3.11Å; T264-R266 VanDerWaalsContact C-N 3.34Å; R266-L268 VanDerWaalsContact C-N 3.34Å; R266-E269 PolarHBondContact O-N 3.3Å; R266-A270 WeakPolarHBondContact O-CB 3.34Å; R266-A270 PolarHBondContact O-N 2.62Å; R266-E300 IonicContact CZ-OE1 2.68Å; R266-E300 IonicContact CZ-OE2 2.81Å; R266-E300 IonicContact NE-OE2 2.71Å; R266-E300 VanDerWaalsContact NH1-CD 3.29Å; R266-E300 IonicContact NH1-OE1 2.77Å; R266-E300 PolarHBondContact NH1-OE1 3.03Å; R266-E300 IonicContact NH1-OE2 2.82Å; R266-E300 PolarHBondContact NH1-OE2 3.47Å; R266-E300 VanDerWaalsContact NH1-OE2 3.13Å; R266-E300 IonicContact NH2-OE1 2.85Å; R266-E300 PolarHBondContact NH2-OE1 3.15Å; R266-E300 IonicContact NH2-OE2 3.15Å; R266-E300 PolarHBondContact NH2-OE2 3.02Å
267D97.9Very high97.6Very high90 Ų9040.4 Ų40.448%0.48120%0.204SC..Hα-helixtrans-64.5-42.4178.4-62-19.7000110.5Q263 T264 A270 E271Q263-D267 PolarHBondContact NE2-OD1 3.22Å; Q263-D267 VanDerWaalsContact O-CG 3.27Å; Q263-D267 PolarHBondContact O-N 3.14Å; T264-D267 PolarHBondContact O-N 2.91Å; D267-A270 PolarHBondContact O-N 3.43Å; D267-E271 WeakPolarHBondContact O-CB 3.4Å; D267-E271 PolarHBondContact O-N 3.4Å
268L98Very high97.6Very high15 Ų1546.1 Ų46.18%0.07923%0.23CC..Hα-helixtrans-65.9-38.5174-72.4167.8000112.7T180 L183 F184 I187 T264 R266 A272T180-L268 HydrophobicContact CG2-CD2 4.1Å; T180-L268 WeakPolarHBondContact CG2-O 3.29Å; L183-L268 HydrophobicContact CB-CD1 4Å; L183-L268 HydrophobicContact CB-CD2 4.04Å; L183-L268 HydrophobicContact CD1-CD2 4.27Å; F184-L268 HydrophobicContact CB-CB 4.23Å; F184-L268 HydrophobicContact CB-CD1 4.5Å; F184-L268 HydrophobicContact CD2-CB 4.24Å; I187-L268 HydrophobicContact CD1-CD1 3.85Å; T264-L268 HydrophobicContact CG2-CD1 4.01Å; T264-L268 WeakPolarHBondContact O-CB 3.33Å; T264-L268 WeakPolarHBondContact O-CG 3.46Å; T264-L268 PolarHBondContact O-N 3.04Å; R266-L268 VanDerWaalsContact C-N 3.34Å; L268-A272 WeakPolarHBondContact O-CB 3.42Å; L268-A272 PolarHBondContact O-N 2.88Å
269E97.2Very high97.6Very high24 Ų2446.7 Ų46.711%0.11223%0.233CC..Hα-helixtrans-62.7-47.7173.9170.6170.9-140.600111.2F184 L265 R266 E271 A272 Y273 I289 S293 H296F184-E269 HydrophobicContact CE2-CB 4.18Å; L265-E269 WeakPolarHBondContact O-CB 3.14Å; L265-E269 PolarHBondContact O-N 3.29Å; R266-E269 PolarHBondContact O-N 3.3Å; E269-E271 VanDerWaalsContact C-N 3.33Å; E269-E271 PolarHBondContact O-N 3.12Å; E269-A272 PolarHBondContact O-N 2.98Å; E269-Y273 HydrophobicContact CG-CD2 3.79Å; E269-Y273 HydrophobicContact CG-CE2 3.26Å; E269-Y273 WeakPolarHBondContact O-CD2 3.25Å; E269-Y273 PolarHBondContact O-N 3.2Å; E269-Y273 WeakPolarHBondContact OE1-CE2 3.47Å; E269-Y273 PolarHBondContact OE1-OH 3.11Å; E269-I289 HydrophobicContact CG-CG2 3.95Å; E269-S293 VanDerWaalsContact OE1-CB 3.24Å; E269-S293 WeakPolarHBondContact OE1-CB 3.33Å; E269-S293 PolarHBondContact OE1-OG 3.35Å; E269-S293 WeakPolarHBondContact OE2-CB 3.41Å; E269-S293 PolarHBondContact OE2-OG 2.87Å; E269-H296 IonicContact OE2-NE2 3.05Å
270A97.6Very high97.6Very high60 Ų6048.2 Ų48.250%0.49625%0.253SS..Hα-helixtrans-61.5-42.7178.200000111.6R266 D267 Y273 R274R266-A270 WeakPolarHBondContact O-CB 3.34Å; R266-A270 PolarHBondContact O-N 2.62Å; D267-A270 PolarHBondContact O-N 3.43Å; A270-Y273 PolarHBondContact O-N 2.68Å; A270-R274 PolarHBondContact O-N 3.4Å
271E98.3Very high97.6Very high65 Ų6545 Ų4530%0.30425%0.245SC..Hα-helixtrans-63.4-41.7175.7178.860.2-175.300111.9T180 D267 E269 Y273 R274 L275T180-E271 HydrophobicContact CG2-CB 4.13Å; T180-E271 HydrophobicContact CG2-CG 3.97Å; D267-E271 WeakPolarHBondContact O-CB 3.4Å; D267-E271 PolarHBondContact O-N 3.4Å; E269-E271 VanDerWaalsContact C-N 3.33Å; E269-E271 PolarHBondContact O-N 3.12Å; E271-Y273 PolarHBondContact O-N 3.12Å; E271-R274 WeakPolarHBondContact O-CB 3.49Å; E271-R274 PolarHBondContact O-N 2.93Å; E271-R274 IonicContact OE1-CZ 2.61Å; E271-R274 IonicContact OE1-NE 3.97Å; E271-R274 IonicContact OE1-NH2 2.83Å; E271-R274 PolarHBondContact OE1-NH2 3.37Å; E271-R274 IonicContact OE2-CZ 3.8Å; E271-R274 IonicContact OE2-NE 2.84Å; E271-R274 PolarHBondContact OE2-NE 2.96Å; E271-R274 IonicContact OE2-NH2 3.65Å; E271-R274 PolarHBondContact OE2-NH2 3.04Å; E271-L275 HydrophobicContact CG-CD1 4.06Å; E271-L275 WeakPolarHBondContact O-CG 3.47Å; E271-L275 PolarHBondContact O-N 3.49Å
272A97.9Very high97.6Very high1 Ų145 Ų451%0.00825%0.245CC..Hα-helixtrans-60.6-44.8175.500000111.6L177 T180 L181 L268 E269 R274 L275 I276 I289L177-A272 HydrophobicContact CD1-CB 4.27Å; T180-A272 HydrophobicContact CG2-CB 4.03Å; L181-A272 HydrophobicContact CD2-CB 4.34Å; L268-A272 WeakPolarHBondContact O-CB 3.42Å; L268-A272 PolarHBondContact O-N 2.88Å; E269-A272 PolarHBondContact O-N 2.98Å; A272-R274 PolarHBondContact O-N 2.72Å; A272-L275 PolarHBondContact O-N 2.98Å; A272-I276 WeakPolarHBondContact O-CB 3.34Å; A272-I276 WeakPolarHBondContact O-CD1 3.45Å; A272-I276 WeakPolarHBondContact O-CG1 3.49Å; A272-I276 PolarHBondContact O-N 3.46Å; A272-I289 HydrophobicContact CB-CD1 3.9Å
273Y98.1Very high97.6Very high62 Ų6248.5 Ų48.524%0.24327%0.27CS..Hα-helixtrans-64.3-38.5175.8-69.6-52.2000112.9E269 A270 E271 I276 T277 E286 I289 K290E269-Y273 HydrophobicContact CG-CD2 3.79Å; E269-Y273 HydrophobicContact CG-CE2 3.26Å; E269-Y273 WeakPolarHBondContact O-CD2 3.25Å; E269-Y273 PolarHBondContact O-N 3.2Å; E269-Y273 WeakPolarHBondContact OE1-CE2 3.47Å; E269-Y273 PolarHBondContact OE1-OH 3.11Å; A270-Y273 PolarHBondContact O-N 2.68Å; E271-Y273 PolarHBondContact O-N 3.12Å; Y273-I276 PolarHBondContact O-N 3Å; Y273-T277 WeakPolarHBondContact O-CB 3.46Å; Y273-T277 PolarHBondContact O-N 3.44Å; Y273-T277 PolarHBondContact O-OG1 3.4Å; Y273-E286 HydrophobicContact CD1-CB 4.46Å; Y273-E286 HydrophobicContact CD1-CG 4.01Å; Y273-E286 HydrophobicContact CE1-CB 4.04Å; Y273-E286 HydrophobicContact CE1-CG 4.1Å; Y273-I289 HydrophobicContact CE1-CB 4.31Å; Y273-I289 HydrophobicContact CE1-CG2 4.25Å; Y273-I289 HydrophobicContact CE2-CG2 4.4Å; Y273-K290 WeakPolarHBondContact OH-CA 3.28Å; Y273-K290 PolarHBondContact OH-N 2.98Å
274R98.4Very high97.4Very high107 Ų10749.5 Ų49.540%0.40427%0.274SS..Hα-helixtrans-60-51.1175-170.9-169.668.975.66.2110.7A270 E271 A272 I276 T277 E278A270-R274 PolarHBondContact O-N 3.4Å; E271-R274 WeakPolarHBondContact O-CB 3.49Å; E271-R274 PolarHBondContact O-N 2.93Å; E271-R274 IonicContact OE1-CZ 2.61Å; E271-R274 IonicContact OE1-NE 3.97Å; E271-R274 IonicContact OE1-NH2 2.83Å; E271-R274 PolarHBondContact OE1-NH2 3.37Å; E271-R274 IonicContact OE2-CZ 3.8Å; E271-R274 IonicContact OE2-NE 2.84Å; E271-R274 PolarHBondContact OE2-NE 2.96Å; E271-R274 IonicContact OE2-NH2 3.65Å; E271-R274 PolarHBondContact OE2-NH2 3.04Å; A272-R274 PolarHBondContact O-N 2.72Å; R274-I276 PolarHBondContact O-N 3.36Å; R274-T277 WeakPolarHBondContact O-CB 3.36Å; R274-T277 PolarHBondContact O-N 3.29Å; R274-T277 VanDerWaalsContact O-N 3.17Å; R274-E278 IonicContact CZ-OE1 3.23Å; R274-E278 IonicContact CZ-OE2 2.9Å; R274-E278 IonicContact NH1-OE1 2.72Å; R274-E278 PolarHBondContact NH1-OE1 3.03Å; R274-E278 IonicContact NH1-OE2 3.82Å; R274-E278 PolarHBondContact NH1-OE2 3.18Å; R274-E278 IonicContact NH2-OE2 3.92Å; R274-E278 WeakPolarHBondContact O-CG 3.39Å; R274-E278 PolarHBondContact O-N 2.99Å
275L98.3Very high97.3Very high17 Ų1749.1 Ų49.19%0.08927%0.272CS..Hα-helixtrans-62.4-40.4178.8-70.4170.3000112.3P176 L177 E271 A272 T277 E278 L279P176-L275 HydrophobicContact CB-CD1 4.31Å; P176-L275 HydrophobicContact CB-CD2 4.28Å; L177-L275 HydrophobicContact CB-CB 4.36Å; L177-L275 HydrophobicContact CB-CD1 4.34Å; L177-L275 HydrophobicContact CD1-CB 4.11Å; E271-L275 HydrophobicContact CG-CD1 4.06Å; E271-L275 WeakPolarHBondContact O-CG 3.47Å; E271-L275 PolarHBondContact O-N 3.49Å; A272-L275 PolarHBondContact O-N 2.98Å; L275-T277 VanDerWaalsContact C-N 3.32Å; L275-T277 PolarHBondContact O-N 3.17Å; L275-E278 PolarHBondContact O-N 2.92Å; L275-L279 VanDerWaalsContact O-CG 3.32Å; L275-L279 WeakPolarHBondContact O-CG 3.18Å; L275-L279 PolarHBondContact O-N 2.9Å; L275-L279 VanDerWaalsContact O-N 3.09Å
276I98Very high97.2Very high0 Ų052.2 Ų52.20%029%0.286CS..Hα-helixtrans-60.8-43.6174.5-70.9163.4000110.9W39 L177 A272 Y273 R274 E278 L279 G280 G281 N282 L285 E286 I289W39-I276 HydrophobicContact CH2-CG1 4.12Å; W39-I276 HydrophobicContact CH2-CG2 4.43Å; W39-I276 HydrophobicContact CZ2-CG2 4.2Å; L177-I276 HydrophobicContact CD1-CD1 4.49Å; L177-I276 HydrophobicContact CD1-CG1 4.02Å; L177-I276 HydrophobicContact CD2-CG1 3.99Å; A272-I276 WeakPolarHBondContact O-CB 3.34Å; A272-I276 WeakPolarHBondContact O-CD1 3.45Å; A272-I276 WeakPolarHBondContact O-CG1 3.49Å; A272-I276 PolarHBondContact O-N 3.46Å; Y273-I276 PolarHBondContact O-N 3Å; R274-I276 PolarHBondContact O-N 3.36Å; I276-E278 VanDerWaalsContact C-N 3.34Å; I276-E278 PolarHBondContact O-N 3.25Å; I276-L279 PolarHBondContact O-N 3.26Å; I276-G280 PolarHBondContact O-N 2.89Å; I276-G281 WeakPolarHBondContact O-CA 3.42Å; I276-G281 PolarHBondContact O-N 3.34Å; I276-N282 HydrophobicContact CG2-CB 3.84Å; I276-N282 VanDerWaalsContact CG2-N 3.32Å; I276-L285 HydrophobicContact CD1-CB 4.3Å; I276-L285 HydrophobicContact CD1-CD2 3.86Å; I276-L285 HydrophobicContact CD1-CG 3.84Å; I276-L285 HydrophobicContact CG1-CD2 3.97Å; I276-L285 HydrophobicContact CG1-CG 4.48Å; I276-E286 HydrophobicContact CD1-CG 4.22Å; I276-E286 HydrophobicContact CG2-CG 3.95Å; I276-E286 WeakPolarHBondContact CG2-OE1 3.42Å; I276-I289 HydrophobicContact CD1-CD1 3.47Å; I276-I289 VanDerWaalsContact CD1-CD1 3.47Å
277T97.8Very high97.1Very high97 Ų9752.5 Ų52.560%0.59530%0.299SS*.Hα-helixtrans-62.4-42.1178.3-57.60000111.2Y273 R274 L275 L279 G280Y273-T277 WeakPolarHBondContact O-CB 3.46Å; Y273-T277 PolarHBondContact O-N 3.44Å; Y273-T277 PolarHBondContact O-OG1 3.4Å; R274-T277 WeakPolarHBondContact O-CB 3.36Å; R274-T277 PolarHBondContact O-N 3.29Å; R274-T277 VanDerWaalsContact O-N 3.17Å; L275-T277 VanDerWaalsContact C-N 3.32Å; L275-T277 PolarHBondContact O-N 3.17Å; T277-L279 VanDerWaalsContact C-N 3.27Å; T277-L279 PolarHBondContact O-N 2.9Å; T277-G280 PolarHBondContact O-N 3.5Å
278E97.2Very high96.8Very high120 Ų12049 Ų4956%0.56128%0.281SS*.Hα-helixtrans-63.8-31.9177-72.6179.4169.700113.1R274 L275 I276 G280R274-E278 IonicContact CZ-OE1 3.23Å; R274-E278 IonicContact CZ-OE2 2.9Å; R274-E278 IonicContact NH1-OE1 2.72Å; R274-E278 PolarHBondContact NH1-OE1 3.03Å; R274-E278 IonicContact NH1-OE2 3.82Å; R274-E278 PolarHBondContact NH1-OE2 3.18Å; R274-E278 IonicContact NH2-OE2 3.92Å; R274-E278 WeakPolarHBondContact O-CG 3.39Å; R274-E278 PolarHBondContact O-N 2.99Å; L275-E278 PolarHBondContact O-N 2.92Å; I276-E278 VanDerWaalsContact C-N 3.34Å; I276-E278 PolarHBondContact O-N 3.25Å; E278-G280 PolarHBondContact O-N 3.05Å
279L97Very high96.5Very high18 Ų1848.4 Ų48.49%0.09428%0.278CS..THydrogen-bonded Turntrans-79.74.2174.1-66167.5000113.4W39 W170 Q172 L174 L177 L275 I276 T277W39-L279 HydrophobicContact CH2-CB 4.24Å; W39-L279 HydrophobicContact CH2-CD1 3.75Å; W39-L279 HydrophobicContact CZ2-CB 3.66Å; W39-L279 HydrophobicContact CZ2-CD1 4.06Å; W39-L279 HydrophobicContact CZ3-CD1 4.12Å; W39-L279 PolarHBondContact NE1-O 3.12Å; W170-L279 HydrophobicContact CZ2-CD2 4.25Å; Q172-L279 HydrophobicContact CB-CD2 4.16Å; L174-L279 HydrophobicContact CD2-CD1 3.72Å; L174-L279 HydrophobicContact CD2-CD2 4.18Å; L177-L279 HydrophobicContact CD2-CD1 3.73Å; L275-L279 VanDerWaalsContact O-CG 3.32Å; L275-L279 WeakPolarHBondContact O-CG 3.18Å; L275-L279 PolarHBondContact O-N 2.9Å; L275-L279 VanDerWaalsContact O-N 3.09Å; I276-L279 PolarHBondContact O-N 3.26Å; T277-L279 VanDerWaalsContact C-N 3.27Å; T277-L279 PolarHBondContact O-N 2.9Å
280G96.3Very high96.3Very high71 Ų7153.8 Ų53.873%0.73230%0.301SS*.THydrogen-bonded Turntrans94.212.8178.200000115.1I276 T277 E278I276-G280 PolarHBondContact O-N 2.89Å; T277-G280 PolarHBondContact O-N 3.5Å; E278-G280 PolarHBondContact O-N 3.05Å
281G97Very high95.9Very high16 Ų1655.6 Ų55.617%0.16530%0.299CS..  trans87.2154.1178.600000113.6W39 I276W39-G281 PolarHBondContact NE1-O 3.27Å; I276-G281 WeakPolarHBondContact O-CA 3.42Å; I276-G281 PolarHBondContact O-N 3.34Å
282N97.8Very high95.3Very high0 Ų052.9 Ų52.90%029%0.286CS..  trans-157.991.3175.4-172.4-30.7000110.9A35 W39 I276 Q284 L285 E286A35-N282 PolarHBondContact O-ND2 3.16Å; W39-N282 HydrophobicContact CH2-CB 3.78Å; W39-N282 HydrophobicContact CZ2-CB 3.36Å; I276-N282 HydrophobicContact CG2-CB 3.84Å; I276-N282 VanDerWaalsContact CG2-N 3.32Å; N282-Q284 PolarHBondContact O-N 3.45Å; N282-Q284 VanDerWaalsContact O-N 3.14Å; N282-Q284 PolarHBondContact OD1-N 3.32Å; N282-L285 HydrophobicContact CB-CB 4.01Å; N282-L285 PolarHBondContact O-N 3.47Å; N282-L285 VanDerWaalsContact O-N 3.14Å; N282-L285 PolarHBondContact OD1-N 3.13Å; N282-E286 VanDerWaalsContact O-CG 3.3Å; N282-E286 WeakPolarHBondContact O-CG 3.34Å; N282-E286 PolarHBondContact O-N 3.31Å
283P95.7Very high94.8Very high86 Ų8652.9 Ų52.956%0.55829%0.286SS*.Hα-helixtrans-59.9-30.9-173.7-2634.6000114S287P283-S287 VanDerWaalsContact O-CB 3.3Å; P283-S287 WeakPolarHBondContact O-CB 3.26Å; P283-S287 PolarHBondContact O-N 3.21Å
284Q94.9Very high94.1Very high109 Ų10956.3 Ų56.351%0.50930%0.298SS..Hα-helixtrans-70.5-45.4179.2-66.8-177.8-13.900111Q34 A35 N282 S287 L288Q34-Q284 PolarHBondContact O-OE1 3Å; A35-Q284 HydrophobicContact CB-CB 3.94Å; N282-Q284 PolarHBondContact O-N 3.45Å; N282-Q284 VanDerWaalsContact O-N 3.14Å; N282-Q284 PolarHBondContact OD1-N 3.32Å; Q284-S287 PolarHBondContact O-N 3.43Å; Q284-L288 PolarHBondContact O-N 3.35Å
285L95.3Very high93.1Very high1 Ų152.7 Ų52.71%0.00529%0.287CS..Hα-helixtrans-68.3-41.9178.4-170.654.8000111.3A35 F36 W39 L177 L181 I276 N282 S287 L288 I289A35-L285 HydrophobicContact CB-CB 3.99Å; A35-L285 HydrophobicContact CB-CD1 4.26Å; F36-L285 HydrophobicContact CE2-CD1 4.37Å; F36-L285 HydrophobicContact CE2-CD2 4.1Å; F36-L285 HydrophobicContact CZ-CD2 4.22Å; W39-L285 HydrophobicContact CH2-CD2 3.98Å; W39-L285 HydrophobicContact CZ3-CD2 3.99Å; L177-L285 HydrophobicContact CD2-CD2 3.86Å; L181-L285 HydrophobicContact CD1-CD1 4.16Å; L181-L285 HydrophobicContact CD1-CD2 4.29Å; I276-L285 HydrophobicContact CD1-CB 4.3Å; I276-L285 HydrophobicContact CD1-CD2 3.86Å; I276-L285 HydrophobicContact CD1-CG 3.84Å; I276-L285 HydrophobicContact CG1-CD2 3.97Å; I276-L285 HydrophobicContact CG1-CG 4.48Å; N282-L285 HydrophobicContact CB-CB 4.01Å; N282-L285 PolarHBondContact O-N 3.47Å; N282-L285 VanDerWaalsContact O-N 3.14Å; N282-L285 PolarHBondContact OD1-N 3.13Å; L285-S287 VanDerWaalsContact C-N 3.35Å; L285-S287 PolarHBondContact O-N 3.09Å; L285-L288 HydrophobicContact CD1-CD2 4.49Å; L285-L288 WeakPolarHBondContact O-CB 3.26Å; L285-L288 PolarHBondContact O-N 3.43Å; L285-L288 VanDerWaalsContact O-N 3.15Å; L285-I289 HydrophobicContact CG-CD1 4.17Å; L285-I289 WeakPolarHBondContact O-CG1 3.5Å; L285-I289 PolarHBondContact O-N 3.08Å
286E95.9Very high92Very high64 Ų6452 Ų5230%0.29928%0.283SS..Hα-helixtrans-58.7-45.8175-70.5168.9-166.700111.7Y273 I276 N282 L288 I289 K290Y273-E286 HydrophobicContact CD1-CB 4.46Å; Y273-E286 HydrophobicContact CD1-CG 4.01Å; Y273-E286 HydrophobicContact CE1-CB 4.04Å; Y273-E286 HydrophobicContact CE1-CG 4.1Å; I276-E286 HydrophobicContact CD1-CG 4.22Å; I276-E286 HydrophobicContact CG2-CG 3.95Å; I276-E286 WeakPolarHBondContact CG2-OE1 3.42Å; N282-E286 VanDerWaalsContact O-CG 3.3Å; N282-E286 WeakPolarHBondContact O-CG 3.34Å; N282-E286 PolarHBondContact O-N 3.31Å; E286-L288 VanDerWaalsContact C-N 3.29Å; E286-L288 PolarHBondContact O-N 3.21Å; E286-I289 PolarHBondContact O-N 2.94Å; E286-K290 WeakPolarHBondContact O-CB 3.2Å; E286-K290 PolarHBondContact O-N 3.2Å
287S93.7Very high90.8Very high79 Ų7954.9 Ų54.955%0.55230%0.298SS*.Hα-helixtrans-63.8-35.3176.8-176.60000112.4P283 Q284 L285 H291P283-S287 VanDerWaalsContact O-CB 3.3Å; P283-S287 WeakPolarHBondContact O-CB 3.26Å; P283-S287 PolarHBondContact O-N 3.21Å; Q284-S287 PolarHBondContact O-N 3.43Å; L285-S287 VanDerWaalsContact C-N 3.35Å; L285-S287 PolarHBondContact O-N 3.09Å; S287-H291 WeakPolarHBondContact O-CB 3.18Å; S287-H291 PolarHBondContact O-N 2.67Å
288L92.3Very high89.3Confident17 Ų1756 Ų569%0.08930%0.297CS..Hα-helixtrans-67.2-47.9177.1179.960.8000110.9K31 L32 Q284 L285 E286 H291 L292K31-L288 HydrophobicContact CB-CD1 4.49Å; K31-L288 HydrophobicContact CB-CD2 4.32Å; K31-L288 HydrophobicContact CD-CD1 4.41Å; L32-L288 HydrophobicContact CB-CD2 4.21Å; Q284-L288 PolarHBondContact O-N 3.35Å; L285-L288 HydrophobicContact CD1-CD2 4.49Å; L285-L288 WeakPolarHBondContact O-CB 3.26Å; L285-L288 PolarHBondContact O-N 3.43Å; L285-L288 VanDerWaalsContact O-N 3.15Å; E286-L288 VanDerWaalsContact C-N 3.29Å; E286-L288 PolarHBondContact O-N 3.21Å; L288-H291 PolarHBondContact O-N 2.74Å; L288-L292 HydrophobicContact CD1-CD1 4.1Å; L288-L292 HydrophobicContact CD1-CG 4.45Å; L288-L292 HydrophobicContact CG-CD1 4Å; L288-L292 WeakPolarHBondContact O-CD1 3.36Å; L288-L292 VanDerWaalsContact O-CG 3.28Å; L288-L292 WeakPolarHBondContact O-CG 3.4Å; L288-L292 PolarHBondContact O-N 3.48Å; L288-L292 VanDerWaalsContact O-N 3.07Å
289I92.9Very high87.5Confident3 Ų352 Ų522%0.01528%0.284CS..Hα-helixtrans-58.3-52.7176.7-65.1164.1000109.5L181 E269 A272 Y273 I276 L285 E286 H291 L292 S293L181-I289 HydrophobicContact CD2-CD1 3.88Å; L181-I289 HydrophobicContact CD2-CG1 3.94Å; E269-I289 HydrophobicContact CG-CG2 3.95Å; A272-I289 HydrophobicContact CB-CD1 3.9Å; Y273-I289 HydrophobicContact CE1-CB 4.31Å; Y273-I289 HydrophobicContact CE1-CG2 4.25Å; Y273-I289 HydrophobicContact CE2-CG2 4.4Å; I276-I289 HydrophobicContact CD1-CD1 3.47Å; I276-I289 VanDerWaalsContact CD1-CD1 3.47Å; L285-I289 HydrophobicContact CG-CD1 4.17Å; L285-I289 WeakPolarHBondContact O-CG1 3.5Å; L285-I289 PolarHBondContact O-N 3.08Å; E286-I289 PolarHBondContact O-N 2.94Å; I289-H291 VanDerWaalsContact C-N 3.25Å; I289-H291 PolarHBondContact O-N 2.9Å; I289-L292 WeakPolarHBondContact O-CA 3.3Å; I289-L292 WeakPolarHBondContact O-CB 3.36Å; I289-L292 PolarHBondContact O-N 2.88Å; I289-S293 PolarHBondContact O-N 3.22Å; I289-S293 PolarHBondContact O-OG 3.01Å
290K91.8Very high85.7Confident136 Ų13652.5 Ų52.559%0.59129%0.286SS*.Hα-helixtrans-54.2-40.2178.3-175.5174.6-177.1173.20113.1Y273 E286Y273-K290 WeakPolarHBondContact OH-CA 3.28Å; Y273-K290 PolarHBondContact OH-N 2.98Å; E286-K290 WeakPolarHBondContact O-CB 3.2Å; E286-K290 PolarHBondContact O-N 3.2Å
291H88.6Confident83.8Confident98 Ų9852 Ų5245%0.45427%0.274SS..Hα-helixtrans-65.2-41.7176.7176.268.4000111.8S287 L288 I289S287-H291 WeakPolarHBondContact O-CB 3.18Å; S287-H291 PolarHBondContact O-N 2.67Å; L288-H291 PolarHBondContact O-N 2.74Å; I289-H291 VanDerWaalsContact C-N 3.25Å; I289-H291 PolarHBondContact O-N 2.9Å
292L85.8Confident81.9Confident8 Ų854.4 Ų54.44%0.04229%0.289CS..Hα-helixtrans-71.5-30.6-179.7-66.7164.1000112.7F184 F185 R188 L288 I289 R294F184-L292 HydrophobicContact CE1-CB 3.95Å; F184-L292 HydrophobicContact CE1-CD1 4.47Å; F184-L292 HydrophobicContact CZ-CB 4.36Å; F185-L292 HydrophobicContact CD1-CD1 4.36Å; F185-L292 HydrophobicContact CE1-CD1 3.25Å; F185-L292 HydrophobicContact CE1-CD2 4.19Å; F185-L292 HydrophobicContact CE1-CG 4.33Å; F185-L292 HydrophobicContact CE2-CD1 4.34Å; F185-L292 HydrophobicContact CZ-CD1 3.24Å; R188-L292 PolarHBondContact NE-O 2.87Å; L288-L292 HydrophobicContact CD1-CD1 4.1Å; L288-L292 HydrophobicContact CD1-CG 4.45Å; L288-L292 HydrophobicContact CG-CD1 4Å; L288-L292 WeakPolarHBondContact O-CD1 3.36Å; L288-L292 VanDerWaalsContact O-CG 3.28Å; L288-L292 WeakPolarHBondContact O-CG 3.4Å; L288-L292 PolarHBondContact O-N 3.48Å; L288-L292 VanDerWaalsContact O-N 3.07Å; I289-L292 WeakPolarHBondContact O-CA 3.3Å; I289-L292 WeakPolarHBondContact O-CB 3.36Å; I289-L292 PolarHBondContact O-N 2.88Å; L292-R294 VanDerWaalsContact C-N 3.31Å; L292-R294 PolarHBondContact O-N 3.39Å
293S87.3Confident80Confident1 Ų155.5 Ų55.51%0.00730%0.298CS..Hα-helixtrans-71.6-19.5-179.7-53.90000114.6E269 I289 M295 H296 N297E269-S293 VanDerWaalsContact OE1-CB 3.24Å; E269-S293 WeakPolarHBondContact OE1-CB 3.33Å; E269-S293 PolarHBondContact OE1-OG 3.35Å; E269-S293 WeakPolarHBondContact OE2-CB 3.41Å; E269-S293 PolarHBondContact OE2-OG 2.87Å; I289-S293 PolarHBondContact O-N 3.22Å; I289-S293 PolarHBondContact O-OG 3.01Å; S293-M295 PolarHBondContact O-N 3.46Å; S293-M295 VanDerWaalsContact O-N 3.11Å; S293-H296 WeakPolarHBondContact CA-CE1 3.49Å; S293-H296 VanDerWaalsContact CB-CE1 3.42Å; S293-H296 WeakPolarHBondContact CB-CE1 3.3Å; S293-H296 PolarHBondContact O-CE1 3.04Å; S293-H296 PolarHBondContact O-N 3.31Å; S293-H296 PolarHBondContact O-ND1 3.46Å; S293-N297 PolarHBondContact O-N 3.22Å; S293-N297 PolarHBondContact O-ND2 2.8Å
294R84.4Confident78.2Confident134 Ų13456.3 Ų56.351%0.50630%0.295SS..Hα-helixtrans-50.7-40.3179.9-68.7-176.2-175.3180-1.1112.9L292 H296 N297 E298L292-R294 VanDerWaalsContact C-N 3.31Å; L292-R294 PolarHBondContact O-N 3.39Å; R294-H296 PolarHBondContact O-N 3.5Å; R294-N297 PolarHBondContact O-N 2.8Å; R294-E298 WeakPolarHBondContact O-CB 3.44Å; R294-E298 WeakPolarHBondContact O-CG 3.43Å; R294-E298 PolarHBondContact O-N 2.79Å
295M76.9Confident75.9Confident32 Ų3254.1 Ų54.116%0.15829%0.291CS..Hα-helixtrans-56.7-43.4-177.9178.7-179.4-81.800113.9R188 A192 Y199 S293R188-M295 HydrophobicContact CG-SD 4.36Å; R188-M295 VanDerWaalsContact NH2-CE 3.27Å; A192-M295 HydrophobicContact CB-CE 4.08Å; A192-M295 HydrophobicContact CB-SD 3.52Å; A192-M295 VanDerWaalsContact CB-SD 3.52Å; Y199-M295 HydrophobicContact CD2-CE 4.09Å; Y199-M295 HydrophobicContact CE2-CE 3.87Å; S293-M295 PolarHBondContact O-N 3.46Å; S293-M295 VanDerWaalsContact O-N 3.11Å
296H74.8Confident73.8Confident1 Ų158.8 Ų58.81%0.00532%0.316CS..Hα-helixtrans-88.9-21.2-178.563.7-99.7000112.6F184 Y191 R262 L265 E269 S293 R294F184-H296 AromaticContact CE2-CE1 3.87Å; Y191-H296 HydrophobicContact CE1-CB 4.42Å; R262-H296 WeakPolarHBondContact CD-O 3.36Å; R262-H296 HydrophobicContact CG-CB 4.17Å; L265-H296 HydrophobicContact CD1-CB 4.07Å; E269-H296 IonicContact OE2-NE2 3.05Å; S293-H296 WeakPolarHBondContact CA-CE1 3.49Å; S293-H296 VanDerWaalsContact CB-CE1 3.42Å; S293-H296 WeakPolarHBondContact CB-CE1 3.3Å; S293-H296 PolarHBondContact O-CE1 3.04Å; S293-H296 PolarHBondContact O-N 3.31Å; S293-H296 PolarHBondContact O-ND1 3.46Å; R294-H296 PolarHBondContact O-N 3.5Å
297N73.1Confident71.9Confident61 Ų6163.3 Ų63.333%0.32633%0.33SS..Hα-helixtrans-78.7-39.4175.8-71-33.7000112.7S293 R294 E300 A301S293-N297 PolarHBondContact O-N 3.22Å; S293-N297 PolarHBondContact O-ND2 2.8Å; R294-N297 PolarHBondContact O-N 2.8Å; N297-E300 PolarHBondContact O-N 3.35Å; N297-A301 PolarHBondContact O-N 3.33Å
298E66.2Low69.6Low122 Ų12266 Ų6657%0.5733%0.334SS*.Hα-helixtrans-71.3-34.5178.1-70.4169.7-170.100112.4R294 E300 A301 S302R294-E298 WeakPolarHBondContact O-CB 3.44Å; R294-E298 WeakPolarHBondContact O-CG 3.43Å; R294-E298 PolarHBondContact O-N 2.79Å; E298-E300 VanDerWaalsContact C-N 3.25Å; E298-E300 PolarHBondContact O-N 3.23Å; E298-A301 PolarHBondContact O-N 3.07Å; E298-S302 PolarHBondContact O-N 2.87Å; E298-S302 VanDerWaalsContact O-N 3.16Å; E298-S302 PolarHBondContact O-OG 2.99Å
299A60.3Low67.4Low34 Ų3468.3 Ų68.328%0.28135%0.349SS..Hα-helixtrans-62.5-33.417500000112.3A303A299-A303 WeakPolarHBondContact O-CB 3.44Å; A299-A303 PolarHBondContact O-N 3.5Å
300E59.3Low65.3Low30 Ų3075.3 Ų75.314%0.1438%0.379CS..Hα-helixtrans-78.1-42.7178.9-165.7164.8138.700112.8R262 R266 N297 E298 S302 A303 E304R262-E300 IonicContact NE-OE2 2.86Å; R266-E300 IonicContact CZ-OE1 2.68Å; R266-E300 IonicContact CZ-OE2 2.81Å; R266-E300 IonicContact NE-OE2 2.71Å; R266-E300 VanDerWaalsContact NH1-CD 3.29Å; R266-E300 IonicContact NH1-OE1 2.77Å; R266-E300 PolarHBondContact NH1-OE1 3.03Å; R266-E300 IonicContact NH1-OE2 2.82Å; R266-E300 PolarHBondContact NH1-OE2 3.47Å; R266-E300 VanDerWaalsContact NH1-OE2 3.13Å; R266-E300 IonicContact NH2-OE1 2.85Å; R266-E300 PolarHBondContact NH2-OE1 3.15Å; R266-E300 IonicContact NH2-OE2 3.15Å; R266-E300 PolarHBondContact NH2-OE2 3.02Å; N297-E300 PolarHBondContact O-N 3.35Å; E298-E300 VanDerWaalsContact C-N 3.25Å; E298-E300 PolarHBondContact O-N 3.23Å; E300-S302 PolarHBondContact O-N 3.5Å; E300-A303 CarbonylContact O-C 3.47Å; E300-A303 WeakPolarHBondContact O-CA 3.24Å; E300-A303 PolarHBondContact O-N 2.94Å; E300-E304 HydrophobicContact CG-CG 4.23Å; E300-E304 WeakPolarHBondContact O-CB 3.33Å; E300-E304 WeakPolarHBondContact O-CG 3.49Å; E300-E304 PolarHBondContact O-N 3.22Å
301A55.2Low63.2Low59 Ų5972.5 Ų72.549%0.48838%0.377SS..Hα-helixtrans-54.8-37.4172.100000111.4N297 E298 S305N297-A301 PolarHBondContact O-N 3.33Å; E298-A301 PolarHBondContact O-N 3.07Å; A301-S305 WeakPolarHBondContact O-CB 3.28Å; A301-S305 PolarHBondContact O-N 3.33Å
302S58.4Low61.3Low67 Ų6772.1 Ų72.147%0.46939%0.385SS..Hα-helixtrans-69.7-40174-55.20000112.7E298 E300 N306E298-S302 PolarHBondContact O-N 2.87Å; E298-S302 VanDerWaalsContact O-N 3.16Å; E298-S302 PolarHBondContact O-OG 2.99Å; E300-S302 PolarHBondContact O-N 3.5Å; S302-N306 WeakPolarHBondContact O-CB 3.37Å; S302-N306 VanDerWaalsContact O-CG 3.27Å; S302-N306 PolarHBondContact O-N 3.49Å; S302-N306 PolarHBondContact O-ND2 3.5Å
303A57.7Low59.2Low24 Ų2479 Ų7920%0.19842%0.417CS..Hα-helixtrans-69.5-39.5177.600000112.8A299 E300 N306 R307A299-A303 WeakPolarHBondContact O-CB 3.44Å; A299-A303 PolarHBondContact O-N 3.5Å; E300-A303 CarbonylContact O-C 3.47Å; E300-A303 WeakPolarHBondContact O-CA 3.24Å; E300-A303 PolarHBondContact O-N 2.94Å; A303-N306 PolarHBondContact O-N 3.04Å; A303-R307 WeakPolarHBondContact O-CG 3.36Å; A303-R307 PolarHBondContact O-N 2.93Å
304E56.7Low57Low103 Ų10385.6 Ų85.648%0.48145%0.453SS..Hα-helixtrans-66.7-48.1175.3-71.8-179.5157.300110.8E300 N306 R307 E308E300-E304 HydrophobicContact CG-CG 4.23Å; E300-E304 WeakPolarHBondContact O-CB 3.33Å; E300-E304 WeakPolarHBondContact O-CG 3.49Å; E300-E304 PolarHBondContact O-N 3.22Å; E304-N306 VanDerWaalsContact C-N 3.27Å; E304-N306 PolarHBondContact O-N 3.36Å; E304-R307 PolarHBondContact O-N 3.42Å; E304-E308 PolarHBondContact O-N 3.5Å
305S47.8Very low54.8Low62 Ų6292.5 Ų92.543%0.43448%0.48SS..Hα-helixtrans-55.8-41.1173.1-178.80000112A301 T309A301-S305 WeakPolarHBondContact O-CB 3.28Å; A301-S305 PolarHBondContact O-N 3.33Å; S305-T309 WeakPolarHBondContact O-CB 3.31Å; S305-T309 PolarHBondContact O-N 3.46Å; S305-T309 PolarHBondContact O-OG1 2.68Å
306N51.9Low53.7Low100 Ų10095.5 Ų95.554%0.53550%0.497SS..Hα-helixtrans-70.7-32.3177.5-79.8-26.7000113.2S302 A303 E304 K310S302-N306 WeakPolarHBondContact O-CB 3.37Å; S302-N306 VanDerWaalsContact O-CG 3.27Å; S302-N306 PolarHBondContact O-N 3.49Å; S302-N306 PolarHBondContact O-ND2 3.5Å; A303-N306 PolarHBondContact O-N 3.04Å; E304-N306 VanDerWaalsContact C-N 3.27Å; E304-N306 PolarHBondContact O-N 3.36Å; N306-K310 WeakPolarHBondContact O-CB 3.45Å; N306-K310 WeakPolarHBondContact O-CG 3.4Å; N306-K310 PolarHBondContact O-N 2.93Å; N306-K310 VanDerWaalsContact O-N 3.09Å
307R54.4Low52.6Low158 Ų158100.5 Ų100.560%0.59652%0.522SS*.Hα-helixtrans-70.2-39.7173.7-77177.4-178.1-1741.8111.8A303 E304 S311A303-R307 WeakPolarHBondContact O-CG 3.36Å; A303-R307 PolarHBondContact O-N 2.93Å; E304-R307 PolarHBondContact O-N 3.42Å; R307-S311 WeakPolarHBondContact O-CB 3.29Å; R307-S311 PolarHBondContact O-N 3.45Å; R307-S311 PolarHBondContact O-OG 3.42Å
308E46.4Very low51.5Low135 Ų135102.7 Ų102.763%0.63153%0.533SS*.Hα-helixtrans-66.9-41.5175-71.2-177.216800111.7E304 S311 S312E304-E308 PolarHBondContact O-N 3.5Å; E308-S311 PolarHBondContact O-N 3.36Å; E308-S312 WeakPolarHBondContact O-CB 3.17Å; E308-S312 PolarHBondContact O-N 2.96Å; E308-S312 PolarHBondContact O-OG 3.22Å
309T46.3Very low50.6Low66 Ų66101.5 Ų101.541%0.40553%0.531SS..Hα-helixtrans-65.6-41.3177.8-49.10000112S305 S312 Q313S305-T309 WeakPolarHBondContact O-CB 3.31Å; S305-T309 PolarHBondContact O-N 3.46Å; S305-T309 PolarHBondContact O-OG1 2.68Å; T309-S312 PolarHBondContact O-N 3.07Å; T309-Q313 PolarHBondContact O-N 2.95Å
310K48.3Very low50Low150 Ų150105.8 Ų105.865%0.65255%0.547SS*.Hα-helixtrans-69.7-29.9175-75.6-179.6179.3179.50113.3N306 S312 N314N306-K310 WeakPolarHBondContact O-CB 3.45Å; N306-K310 WeakPolarHBondContact O-CG 3.4Å; N306-K310 PolarHBondContact O-N 2.93Å; N306-K310 VanDerWaalsContact O-N 3.09Å; K310-S312 VanDerWaalsContact C-N 3.34Å; K310-N314 PolarHBondContact O-ND2 3.04Å
311S48.2Very low49.4Very low77 Ų77110.8 Ų110.854%0.53857%0.574SS.*Hα-helixtrans-74.5-27.8174.5-58.80000112.2R307 E308R307-S311 WeakPolarHBondContact O-CB 3.29Å; R307-S311 PolarHBondContact O-N 3.45Å; R307-S311 PolarHBondContact O-OG 3.42Å; E308-S311 PolarHBondContact O-N 3.36Å
312S47.3Very low49Very low90 Ų90114.5 Ų114.563%0.62958%0.58SS**Hα-helixtrans-82.2-16.5179.3-53.10000114.1E308 T309 K310E308-S312 WeakPolarHBondContact O-CB 3.17Å; E308-S312 PolarHBondContact O-N 2.96Å; E308-S312 PolarHBondContact O-OG 3.22Å; T309-S312 PolarHBondContact O-N 3.07Å; K310-S312 VanDerWaalsContact C-N 3.34Å
313Q42.7Very low48.3Very low153 Ų153118.2 Ų118.272%0.71559%0.589SS**THydrogen-bonded Turntrans-91.9-2.1175.5-74-178.9-15.400113.7T309T309-Q313 PolarHBondContact O-N 2.95Å
314N41.1Very low47.5Very low140 Ų140126 Ų12675%0.74962%0.621SS**  trans-101.920.4176.9-78.3-28.6000113.2K310K310-N314 PolarHBondContact O-ND2 3.04Å
315Y38.9Very low46.7Very low278 Ų278128.1 Ų128.1100%1.0963%0.634SS**  trans-123.60169.8-86.3-84.5000110.7

Retrieved 315 of 315 residues in 279 ms (Link to these results)

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