A0A060VVF4_ONCMY Loading...

Transgelin

AlphaFold DB , UniProt , Accession A0A060VVF4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 197 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
1M38.2Very low64.5Low232 Ų232116.9 Ų116.9100%1.14368%0.675SS**  0104.10-58.4-178.6-151.700107.2N3M1-N3 PolarHBondContact O-N 3.1Å
2A43.8Very low66.2Low77 Ų77119.1 Ų119.164%0.63666%0.664SS**  trans-93.980.3177.600000108.5K4A2-K4 VanDerWaalsContact C-N 3.32Å; A2-K4 PolarHBondContact O-N 3.37Å
3N44.4Very low67.7Low157 Ų157115.3 Ų115.384%0.8465%0.645SS**  trans-70.194.4165.9-89.4-62.1000107.4M1M1-N3 PolarHBondContact O-N 3.1Å
4K60.4Low69Low169 Ų169112.1 Ų112.174%0.73563%0.63SS**PPolyproline II helixtrans-87.6120172.2-141.4172.8-174.4178.10107.6A2A2-K4 VanDerWaalsContact C-N 3.32Å; A2-K4 PolarHBondContact O-N 3.37Å
5G58.5Low70.1Confident57 Ų57107.9 Ų107.959%0.58860%0.603SS**PPolyproline II helixtrans-61.9165.7176.600000112.1S7G5-S7 PolarHBondContact O-N 3.44Å
6P61.8Low71.2Confident92 Ų92106.1 Ų106.160%0.59759%0.592SS**PPolyproline II helixtrans-54.9138.3-176.9-19.829.2000111.3Y8P6-Y8 HydrophobicContact CB-CE2 3.8Å; P6-Y8 HydrophobicContact CG-CE2 4.28Å; P6-Y8 WeakPolarHBondContact O-CD2 3.29Å; P6-Y8 WeakPolarHBondContact O-CE2 3.3Å
7S69.1Low72.2Confident54 Ų54107.8 Ų107.838%0.37859%0.591SS.*PPolyproline II helixtrans-72.2132.6171.634.40000109.5G5 R12G5-S7 PolarHBondContact O-N 3.44Å; S7-R12 WeakPolarHBondContact O-CB 3.47Å; S7-R12 WeakPolarHBondContact O-CD 3.49Å
8Y79.5Confident73Confident166 Ų166103.7 Ų103.765%0.65157%0.568SS**  trans-121.3156.6179.2-64.8-81.1000111.3P6 M10 S11P6-Y8 HydrophobicContact CB-CE2 3.8Å; P6-Y8 HydrophobicContact CG-CE2 4.28Å; P6-Y8 WeakPolarHBondContact O-CD2 3.29Å; P6-Y8 WeakPolarHBondContact O-CE2 3.3Å; Y8-M10 PolarHBondContact O-N 3.36Å; Y8-S11 PolarHBondContact O-N 3.42Å
9G86.9Confident73.7Confident57 Ų57101.4 Ų101.459%0.58856%0.555SS**THydrogen-bonded Turntrans60.1-131.8174.900000113.5S11 R12 V13G9-S11 VanDerWaalsContact C-N 3.26Å; G9-S11 PolarHBondContact O-N 3.35Å; G9-R12 PolarHBondContact O-N 2.9Å; G9-R12 VanDerWaalsContact O-N 3.11Å; G9-V13 PolarHBondContact O-N 3.25Å
10M84.1Confident74.5Confident146 Ų146105.1 Ų105.172%0.71957%0.566SS**Hα-helixtrans-56.2-38.3-178.1-172.461.472.300112.7Y8 R12 V13 V14Y8-M10 PolarHBondContact O-N 3.36Å; M10-R12 VanDerWaalsContact C-N 3.3Å; M10-R12 PolarHBondContact O-N 3.49Å; M10-V13 PolarHBondContact O-N 3.08Å; M10-V14 WeakPolarHBondContact O-CG2 3.37Å; M10-V14 PolarHBondContact O-N 3.43Å
11S82.6Confident75.3Confident79 Ų79106.6 Ų106.655%0.55257%0.567SS**Hα-helixtrans-63.9-35.1179.8-56.50000112.6Y8 G9 Q15Y8-S11 PolarHBondContact O-N 3.42Å; G9-S11 VanDerWaalsContact C-N 3.26Å; G9-S11 PolarHBondContact O-N 3.35Å; S11-Q15 PolarHBondContact O-N 3.34Å; S11-Q15 VanDerWaalsContact O-N 3.09Å
12R84.7Confident77.9Confident143 Ų14397.1 Ų97.154%0.5452%0.519SS..Hα-helixtrans-71.8-42.2175.7-172158.1124.4170.7-2111.7S7 G9 M10 V14 Q15 D16S7-R12 WeakPolarHBondContact O-CB 3.47Å; S7-R12 WeakPolarHBondContact O-CD 3.49Å; G9-R12 PolarHBondContact O-N 2.9Å; G9-R12 VanDerWaalsContact O-N 3.11Å; M10-R12 VanDerWaalsContact C-N 3.3Å; M10-R12 PolarHBondContact O-N 3.49Å; R12-V14 VanDerWaalsContact C-N 3.27Å; R12-V14 PolarHBondContact O-N 2.47Å; R12-Q15 PolarHBondContact O-N 3Å; R12-Q15 VanDerWaalsContact O-N 3.14Å; R12-D16 VanDerWaalsContact O-CG 3.31Å; R12-D16 PolarHBondContact O-N 3.02Å
13V86.4Confident80.3Confident70 Ų7096.8 Ų96.842%0.42451%0.506SS..Hα-helixtrans-61.2-38.1176.2177.10000111.5G9 M10 K17G9-V13 PolarHBondContact O-N 3.25Å; M10-V13 PolarHBondContact O-N 3.08Å; V13-K17 WeakPolarHBondContact O-CG 3.42Å; V13-K17 PolarHBondContact O-N 3.5Å; V13-K17 VanDerWaalsContact O-N 3.13Å
14V86.3Confident82.6Confident70 Ų7092.1 Ų92.142%0.42449%0.49SS..Hα-helixtrans-65.1-46.2174.1171.50000110.7M10 R12 D16 K17 I18M10-V14 WeakPolarHBondContact O-CG2 3.37Å; M10-V14 PolarHBondContact O-N 3.43Å; R12-V14 VanDerWaalsContact C-N 3.27Å; R12-V14 PolarHBondContact O-N 2.47Å; V14-D16 PolarHBondContact O-N 3.47Å; V14-K17 WeakPolarHBondContact O-CB 3.42Å; V14-K17 PolarHBondContact O-N 2.92Å; V14-I18 HydrophobicContact CG1-CD1 3.98Å; V14-I18 WeakPolarHBondContact O-CG1 3.35Å; V14-I18 PolarHBondContact O-N 3.11Å
15Q84.6Confident84.1Confident49 Ų4991.5 Ų91.523%0.22949%0.489CS..Hα-helixtrans-60.8-44.8177.4-167.262.652.600111.8S11 R12 K17 I18 D19 K119S11-Q15 PolarHBondContact O-N 3.34Å; S11-Q15 VanDerWaalsContact O-N 3.09Å; R12-Q15 PolarHBondContact O-N 3Å; R12-Q15 VanDerWaalsContact O-N 3.14Å; Q15-K17 VanDerWaalsContact C-N 3.25Å; Q15-K17 PolarHBondContact O-N 3.25Å; Q15-I18 WeakPolarHBondContact O-CB 3.2Å; Q15-I18 PolarHBondContact O-N 2.95Å; Q15-D19 PolarHBondContact NE2-OD1 2.88Å; Q15-D19 WeakPolarHBondContact O-CB 3.47Å; Q15-D19 VanDerWaalsContact O-CG 3.31Å; Q15-D19 PolarHBondContact O-N 3.47Å; Q15-K119 PolarHBondContact NE2-O 3.09Å
16D87.4Confident85.8Confident79 Ų7990.4 Ų90.442%0.42247%0.471SS..Hα-helixtrans-60.4-36177.3-69.1-12.6000111.8R12 V14 K20R12-D16 VanDerWaalsContact O-CG 3.31Å; R12-D16 PolarHBondContact O-N 3.02Å; V14-D16 PolarHBondContact O-N 3.47Å; D16-K20 WeakPolarHBondContact O-CB 3.17Å; D16-K20 VanDerWaalsContact O-CG 3.24Å; D16-K20 WeakPolarHBondContact O-CG 3.38Å; D16-K20 PolarHBondContact O-N 3.17Å
17K88.6Confident87.3Confident135 Ų13586.8 Ų86.859%0.58745%0.446SS*.Hα-helixtrans-70-35.5175.2-77.1178.7-179.7-178.70112.6V13 V14 Q15V13-K17 WeakPolarHBondContact O-CG 3.42Å; V13-K17 PolarHBondContact O-N 3.5Å; V13-K17 VanDerWaalsContact O-N 3.13Å; V14-K17 WeakPolarHBondContact O-CB 3.42Å; V14-K17 PolarHBondContact O-N 2.92Å; Q15-K17 VanDerWaalsContact C-N 3.25Å; Q15-K17 PolarHBondContact O-N 3.25Å
18I86.9Confident88.4Confident35 Ų3590 Ų9018%0.17946%0.456CS..Hα-helixtrans-67.8-47.4175-70.5167.9000109.3V14 Q15 K20 K21 D120V14-I18 HydrophobicContact CG1-CD1 3.98Å; V14-I18 WeakPolarHBondContact O-CG1 3.35Å; V14-I18 PolarHBondContact O-N 3.11Å; Q15-I18 WeakPolarHBondContact O-CB 3.2Å; Q15-I18 PolarHBondContact O-N 2.95Å; I18-K20 VanDerWaalsContact C-N 3.26Å; I18-K20 PolarHBondContact O-N 3.06Å; I18-K21 WeakPolarHBondContact O-CB 3.46Å; I18-K21 PolarHBondContact O-N 3.31Å; I18-D120 HydrophobicContact CG2-CB 3.86Å; I18-D120 VanDerWaalsContact CG2-CG 3.42Å; I18-D120 VanDerWaalsContact CG2-OD1 3.25Å; I18-D120 WeakPolarHBondContact CG2-OD1 3.4Å
19D85.4Confident89.1Confident60 Ų6084.1 Ų84.132%0.32144%0.435SS..Hα-helixtrans-63.2-33-178.8-71.9-0.1000112.1Q15 K21 Y22 K49Q15-D19 PolarHBondContact NE2-OD1 2.88Å; Q15-D19 WeakPolarHBondContact O-CB 3.47Å; Q15-D19 VanDerWaalsContact O-CG 3.31Å; Q15-D19 PolarHBondContact O-N 3.47Å; D19-K21 PolarHBondContact O-N 3.44Å; D19-Y22 WeakPolarHBondContact O-CB 3.14Å; D19-Y22 PolarHBondContact O-N 2.87Å; D19-Y22 VanDerWaalsContact O-N 3.08Å; D19-K49 IonicContact OD1-NZ 3.36Å; D19-K49 PolarHBondContact OD1-NZ 3.13Å; D19-K49 IonicContact OD2-NZ 4Å; D19-K49 PolarHBondContact OD2-NZ 3.19Å
20K90.4Very high89.5Confident175 Ų17581.4 Ų81.476%0.76141%0.407SS*.THydrogen-bonded Turntrans-64.5-19.4171.3-80.1174.5-178.1-176.70114.9D16 I18 Y22D16-K20 WeakPolarHBondContact O-CB 3.17Å; D16-K20 VanDerWaalsContact O-CG 3.24Å; D16-K20 WeakPolarHBondContact O-CG 3.38Å; D16-K20 PolarHBondContact O-N 3.17Å; I18-K20 VanDerWaalsContact C-N 3.26Å; I18-K20 PolarHBondContact O-N 3.06Å; K20-Y22 VanDerWaalsContact C-N 3.29Å
21K92Very high89.9Confident136 Ų13675.3 Ų75.359%0.59138%0.378SS*.THydrogen-bonded Turntrans-84.4-9.3174.8-62.3176.6-179-177.20112.2I18 D19 A122I18-K21 WeakPolarHBondContact O-CB 3.46Å; I18-K21 PolarHBondContact O-N 3.31Å; D19-K21 PolarHBondContact O-N 3.44Å; K21-A122 HydrophobicContact CB-CB 3.85Å
22Y92.4Very high90.4Very high34 Ų3476.4 Ų76.413%0.13337%0.374CS..  trans-74.7129.3174.9-167.8-91.6000109.1D19 K20 E27 K49 L121 Q125D19-Y22 WeakPolarHBondContact O-CB 3.14Å; D19-Y22 PolarHBondContact O-N 2.87Å; D19-Y22 VanDerWaalsContact O-N 3.08Å; K20-Y22 VanDerWaalsContact C-N 3.29Å; Y22-E27 HydrophobicContact CE1-CB 4.36Å; Y22-E27 WeakPolarHBondContact CE1-OE2 3.41Å; Y22-E27 VanDerWaalsContact OH-CD 3.28Å; Y22-E27 WeakPolarHBondContact OH-CG 3.26Å; Y22-E27 PolarHBondContact OH-OE2 2.91Å; Y22-K49 HydrophobicContact CD1-CD 4.48Å; Y22-K49 HydrophobicContact CD2-CD 4.38Å; Y22-K49 HydrophobicContact CD2-CG 4.43Å; Y22-K49 HydrophobicContact CE1-CB 3.98Å; Y22-K49 HydrophobicContact CE1-CG 4.28Å; Y22-K49 HydrophobicContact CE2-CG 4.11Å; Y22-K49 HydrophobicContact CG-CD 4.33Å; Y22-L121 HydrophobicContact CD2-CB 3.93Å; Y22-L121 HydrophobicContact CE2-CB 3.77Å; Y22-Q125 HydrophobicContact CD2-CG 4.29Å; Y22-Q125 VanDerWaalsContact CD2-OE1 3.29Å; Y22-Q125 HydrophobicContact CE2-CG 3.86Å
23D93.4Very high90.9Very high69 Ų6969.6 Ų69.637%0.36935%0.349SS..  trans-117.9122.6-176.4-169.6-29.2000109.9E25 V26 E27 Q125D23-E25 VanDerWaalsContact C-N 3.34Å; D23-E25 WeakPolarHBondContact OD1-CB 3.04Å; D23-E25 PolarHBondContact OD1-N 3.3Å; D23-V26 HydrophobicContact CB-CB 4Å; D23-V26 HydrophobicContact CB-CG2 3.77Å; D23-V26 PolarHBondContact O-N 2.95Å; D23-E27 PolarHBondContact O-N 2.77Å; D23-E27 VanDerWaalsContact O-N 3.09Å; D23-Q125 VanDerWaalsContact N-OE1 3.13Å; D23-Q125 PolarHBondContact O-NE2 3.03Å
24A92.7Very high91.2Very high60 Ų6066.3 Ų66.350%0.49633%0.328SS..Hα-helixtrans-69.1-32.9-17900000112.2V26 E27 E28A24-V26 VanDerWaalsContact C-N 3.32Å; A24-V26 PolarHBondContact O-N 3.44Å; A24-E27 WeakPolarHBondContact O-CB 3.35Å; A24-E27 PolarHBondContact O-N 3.37Å; A24-E28 PolarHBondContact O-N 2.87Å; A24-E28 VanDerWaalsContact O-N 3.08Å
25E92.8Very high91.5Very high156 Ų15664.3 Ų64.373%0.72932%0.317SS*.Hα-helixtrans-68.6-37.5178.4-60.1-174.5104.100110.4D23 E28 L29D23-E25 VanDerWaalsContact C-N 3.34Å; D23-E25 WeakPolarHBondContact OD1-CB 3.04Å; D23-E25 PolarHBondContact OD1-N 3.3Å; E25-E28 PolarHBondContact O-N 3.47Å; E25-L29 WeakPolarHBondContact O-CB 3.12Å; E25-L29 PolarHBondContact O-N 3.05Å
26V92.8Very high91.9Very high34 Ų3464 Ų6421%0.20632%0.322CS..Hα-helixtrans-67-37.6173.7177.90000111.3D23 A24 L29 L30 Q125 M129D23-V26 HydrophobicContact CB-CB 4Å; D23-V26 HydrophobicContact CB-CG2 3.77Å; D23-V26 PolarHBondContact O-N 2.95Å; A24-V26 VanDerWaalsContact C-N 3.32Å; A24-V26 PolarHBondContact O-N 3.44Å; V26-L29 PolarHBondContact O-N 3.41Å; V26-L30 HydrophobicContact CG1-CD1 3.89Å; V26-L30 HydrophobicContact CG1-CG 4.16Å; V26-L30 WeakPolarHBondContact O-CB 3.46Å; V26-L30 WeakPolarHBondContact O-CG 3.35Å; V26-L30 PolarHBondContact O-N 3.31Å; V26-Q125 HydrophobicContact CG1-CB 4.2Å; V26-Q125 HydrophobicContact CG1-CG 4.47Å; V26-M129 HydrophobicContact CG1-CG 3.72Å; V26-M129 HydrophobicContact CG1-SD 3.85Å
27E93.9Very high92.1Very high15 Ų1560.2 Ų60.27%0.0730%0.302CS..Hα-helixtrans-57-52.7173.5-177-171.4120.100110.5Y22 D23 A24 L29 L30 V31 G48 K49 F52Y22-E27 HydrophobicContact CE1-CB 4.36Å; Y22-E27 WeakPolarHBondContact CE1-OE2 3.41Å; Y22-E27 VanDerWaalsContact OH-CD 3.28Å; Y22-E27 WeakPolarHBondContact OH-CG 3.26Å; Y22-E27 PolarHBondContact OH-OE2 2.91Å; D23-E27 PolarHBondContact O-N 2.77Å; D23-E27 VanDerWaalsContact O-N 3.09Å; A24-E27 WeakPolarHBondContact O-CB 3.35Å; A24-E27 PolarHBondContact O-N 3.37Å; E27-L29 VanDerWaalsContact C-N 3.35Å; E27-L29 PolarHBondContact O-N 2.92Å; E27-L30 PolarHBondContact O-N 3.27Å; E27-V31 VanDerWaalsContact O-CG2 3.3Å; E27-V31 WeakPolarHBondContact O-CG2 3.32Å; E27-V31 PolarHBondContact O-N 3.07Å; E27-G48 WeakPolarHBondContact OE1-CA 3.5Å; E27-G48 PolarHBondContact OE1-N 3.38Å; E27-G48 VanDerWaalsContact OE1-N 3.1Å; E27-K49 PolarHBondContact OE2-N 3.23Å; E27-F52 HydrophobicContact CG-CB 4.12Å; E27-F52 HydrophobicContact CG-CD2 3.81Å; E27-F52 HydrophobicContact CG-CE2 4.39Å; E27-F52 HydrophobicContact CG-CG 3.97Å
28E93.1Very high92.1Very high123 Ų12355.3 Ų55.358%0.57528%0.284SS*.Hα-helixtrans-60.4-44.1-179.1-70.6-175.4-176.300112.3A24 E25 V31 Q32A24-E28 PolarHBondContact O-N 2.87Å; A24-E28 VanDerWaalsContact O-N 3.08Å; E25-E28 PolarHBondContact O-N 3.47Å; E28-V31 PolarHBondContact O-N 3.48Å; E28-Q32 VanDerWaalsContact O-CG 3.29Å; E28-Q32 WeakPolarHBondContact O-CG 3.19Å; E28-Q32 PolarHBondContact O-N 3.03Å
29L93.9Very high92.1Very high41 Ų4154.9 Ų54.922%0.21529%0.289CS..Hα-helixtrans-61-45.8176.2-179.9156000111.6E25 V26 E27 V31 Q32 W33 M129 W149 F150E25-L29 WeakPolarHBondContact O-CB 3.12Å; E25-L29 PolarHBondContact O-N 3.05Å; V26-L29 PolarHBondContact O-N 3.41Å; E27-L29 VanDerWaalsContact C-N 3.35Å; E27-L29 PolarHBondContact O-N 2.92Å; L29-V31 VanDerWaalsContact C-N 3.34Å; L29-V31 PolarHBondContact O-N 3.09Å; L29-Q32 PolarHBondContact O-N 2.95Å; L29-W33 WeakPolarHBondContact O-CB 3.42Å; L29-W33 PolarHBondContact O-N 3.44Å; L29-M129 HydrophobicContact CD2-CE 4.44Å; L29-M129 HydrophobicContact CD2-SD 3.91Å; L29-W149 HydrophobicContact CD1-CB 4.03Å; L29-W149 HydrophobicContact CD1-CG 4.26Å; L29-W149 HydrophobicContact CD2-CB 4.03Å; L29-W149 HydrophobicContact CG-CB 4.08Å; L29-W149 HydrophobicContact CG-CG 4.15Å; L29-F150 HydrophobicContact CD2-CE1 4.1Å; L29-F150 HydrophobicContact CD2-CZ 3.96Å
30L94.4Very high91.8Very high0 Ų057.5 Ų57.50%031%0.311CS..Hα-helixtrans-63.3-40.8178.3-74.2175.9000111.7V26 E27 W33 I34 F52 Q125 L128 M129 F150V26-L30 HydrophobicContact CG1-CD1 3.89Å; V26-L30 HydrophobicContact CG1-CG 4.16Å; V26-L30 WeakPolarHBondContact O-CB 3.46Å; V26-L30 WeakPolarHBondContact O-CG 3.35Å; V26-L30 PolarHBondContact O-N 3.31Å; E27-L30 PolarHBondContact O-N 3.27Å; L30-W33 HydrophobicContact CD2-CE3 4.07Å; L30-W33 HydrophobicContact CD2-CZ3 4.42Å; L30-W33 PolarHBondContact O-N 2.76Å; L30-I34 WeakPolarHBondContact O-CB 3.26Å; L30-I34 WeakPolarHBondContact O-CD1 3.49Å; L30-I34 WeakPolarHBondContact O-CG1 3.18Å; L30-I34 PolarHBondContact O-N 2.84Å; L30-F52 HydrophobicContact CB-CE2 4.5Å; L30-F52 HydrophobicContact CD1-CZ 4.36Å; L30-Q125 HydrophobicContact CD1-CB 4.06Å; L30-Q125 HydrophobicContact CD1-CG 4.04Å; L30-L128 HydrophobicContact CD1-CB 3.98Å; L30-L128 HydrophobicContact CD1-CD1 4.18Å; L30-L128 HydrophobicContact CD2-CB 3.68Å; L30-L128 HydrophobicContact CG-CB 4.46Å; L30-M129 HydrophobicContact CD1-CG 4.46Å; L30-M129 HydrophobicContact CD2-CG 4.17Å; L30-M129 HydrophobicContact CD2-SD 3.72Å; L30-M129 HydrophobicContact CG-SD 4.11Å; L30-F150 HydrophobicContact CD2-CE1 4.3Å
31V94.1Very high91.2Very high18 Ų1852.6 Ų52.611%0.10931%0.311CS..Hα-helixtrans-61.6-47.6175.4170.90000110.8E27 E28 L29 W33 I34 V35 P45 F52 W55E27-V31 VanDerWaalsContact O-CG2 3.3Å; E27-V31 WeakPolarHBondContact O-CG2 3.32Å; E27-V31 PolarHBondContact O-N 3.07Å; E28-V31 PolarHBondContact O-N 3.48Å; L29-V31 VanDerWaalsContact C-N 3.34Å; L29-V31 PolarHBondContact O-N 3.09Å; V31-W33 VanDerWaalsContact C-N 3.32Å; V31-W33 PolarHBondContact O-N 3.09Å; V31-I34 PolarHBondContact O-N 2.99Å; V31-V35 WeakPolarHBondContact O-CB 3.17Å; V31-V35 VanDerWaalsContact O-CG2 3.26Å; V31-V35 WeakPolarHBondContact O-CG2 3.32Å; V31-V35 PolarHBondContact O-N 3.36Å; V31-P45 HydrophobicContact CB-CG 4.4Å; V31-P45 HydrophobicContact CG1-CG 3.99Å; V31-P45 HydrophobicContact CG2-CG 3.45Å; V31-P45 VanDerWaalsContact CG2-CG 3.45Å; V31-F52 HydrophobicContact CG2-CD2 3.83Å; V31-F52 HydrophobicContact CG2-CE2 3.94Å; V31-W55 HydrophobicContact CG2-CZ3 4.02Å
32Q93.3Very high90.8Very high103 Ų10347 Ų4748%0.48129%0.288SS..Hα-helixtrans-60.2-43.8177.2-71.5177.833.900111.7E28 L29 A36 W149E28-Q32 VanDerWaalsContact O-CG 3.29Å; E28-Q32 WeakPolarHBondContact O-CG 3.19Å; E28-Q32 PolarHBondContact O-N 3.03Å; L29-Q32 PolarHBondContact O-N 2.95Å; Q32-A36 WeakPolarHBondContact O-CB 3.43Å; Q32-A36 PolarHBondContact O-N 3.46Å; Q32-W149 HydrophobicContact CB-CH2 4.3Å; Q32-W149 HydrophobicContact CB-CZ2 4.4Å
33W94Very high90.6Very high0 Ų047 Ų470%030%0.299CS..Hα-helixtrans-63.9-49.5177.7172.953.8000112.7L29 L30 V31 V35 A36 Q37 L65 L69 L131 Y143 W149 F150L29-W33 WeakPolarHBondContact O-CB 3.42Å; L29-W33 PolarHBondContact O-N 3.44Å; L30-W33 HydrophobicContact CD2-CE3 4.07Å; L30-W33 HydrophobicContact CD2-CZ3 4.42Å; L30-W33 PolarHBondContact O-N 2.76Å; V31-W33 VanDerWaalsContact C-N 3.32Å; V31-W33 PolarHBondContact O-N 3.09Å; W33-V35 VanDerWaalsContact C-N 3.27Å; W33-V35 PolarHBondContact O-N 3.33Å; W33-A36 PolarHBondContact O-N 3.08Å; W33-A36 VanDerWaalsContact O-N 3.11Å; W33-Q37 WeakPolarHBondContact O-CB 3.46Å; W33-Q37 PolarHBondContact O-N 3.29Å; W33-L65 HydrophobicContact CH2-CD1 4.01Å; W33-L65 HydrophobicContact CH2-CD2 4.04Å; W33-L65 HydrophobicContact CH2-CG 4.34Å; W33-L65 HydrophobicContact CZ2-CD1 4.13Å; W33-L65 HydrophobicContact CZ3-CD1 4.24Å; W33-L65 HydrophobicContact CZ3-CD2 3.89Å; W33-L69 HydrophobicContact CZ2-CD1 4.48Å; W33-L131 HydrophobicContact CH2-CD2 4.28Å; W33-L131 HydrophobicContact CH2-CG 4.24Å; W33-Y143 AromaticContact CD1-CE2 3.84Å; W33-Y143 AromaticContact CE2-CE2 3.98Å; W33-Y143 HydrophobicContact CZ2-CE2 4.43Å; W33-Y143 AromaticContact NE1-CD2 3.9Å; W33-Y143 AromaticContact NE1-CE2 3.18Å; W33-Y143 AromaticContact NE1-CZ 3.82Å; W33-W149 HydrophobicContact CB-CE3 3.86Å; W33-W149 HydrophobicContact CB-CZ3 4.02Å; W33-W149 HydrophobicContact CG-CE3 4.37Å; W33-F150 HydrophobicContact CB-CE2 4.04Å; W33-F150 HydrophobicContact CB-CZ 3.89Å; W33-F150 AromaticContact CD1-CE2 3.62Å; W33-F150 HydrophobicContact CD2-CE1 4.43Å; W33-F150 AromaticContact CD2-CE2 3.64Å; W33-F150 HydrophobicContact CD2-CE2 3.64Å; W33-F150 AromaticContact CD2-CZ 3.34Å; W33-F150 HydrophobicContact CD2-CZ 3.34Å; W33-F150 AromaticContact CE2-CE2 3.86Å; W33-F150 AromaticContact CE2-CZ 3.91Å; W33-F150 HydrophobicContact CE3-CE1 4.28Å; W33-F150 HydrophobicContact CE3-CE2 4.29Å; W33-F150 AromaticContact CE3-CZ 3.53Å; W33-F150 HydrophobicContact CE3-CZ 3.53Å; W33-F150 AromaticContact CG-CE2 3.47Å; W33-F150 HydrophobicContact CG-CE2 3.47Å; W33-F150 VanDerWaalsContact CG-CE2 3.47Å; W33-F150 AromaticContact CG-CZ 3.49Å; W33-F150 HydrophobicContact CG-CZ 3.49Å; W33-F150 VanDerWaalsContact CG-CZ 3.49Å; W33-F150 HydrophobicContact CZ3-CZ 4.19Å; W33-F150 AromaticContact NE1-CE2 3.86Å
34I93.6Very high90.3Very high0 Ų051.5 Ų51.50%032%0.315CS..Hα-helixtrans-59.5-41-179.7-68.4166.8000110.7L30 V31 Q37 C38 V42 W55 L56 V61 L65 L128L30-I34 WeakPolarHBondContact O-CB 3.26Å; L30-I34 WeakPolarHBondContact O-CD1 3.49Å; L30-I34 WeakPolarHBondContact O-CG1 3.18Å; L30-I34 PolarHBondContact O-N 2.84Å; V31-I34 PolarHBondContact O-N 2.99Å; I34-Q37 PolarHBondContact O-N 2.92Å; I34-C38 WeakPolarHBondContact O-CB 3.48Å; I34-C38 PolarHBondContact O-N 3.03Å; I34-V42 HydrophobicContact CG2-CG2 4.33Å; I34-W55 HydrophobicContact CB-CH2 3.86Å; I34-W55 HydrophobicContact CB-CZ3 4.47Å; I34-W55 HydrophobicContact CD1-CH2 4.19Å; I34-W55 HydrophobicContact CD1-CZ3 3.96Å; I34-W55 HydrophobicContact CG2-CH2 3.5Å; I34-W55 HydrophobicContact CG2-CZ2 4.04Å; I34-W55 HydrophobicContact CG2-CZ3 4.32Å; I34-L56 HydrophobicContact CD1-CD2 4.48Å; I34-V61 HydrophobicContact CG2-CG1 3.59Å; I34-L65 HydrophobicContact CD1-CD2 4.43Å; I34-L65 HydrophobicContact CG1-CD1 4.12Å; I34-L65 HydrophobicContact CG1-CD2 3.99Å; I34-L128 HydrophobicContact CD1-CD1 4.37Å
35V93.1Very high90.2Very high29 Ų2949.8 Ų49.818%0.17630%0.299CS..Hα-helixtrans-66.8-41.1176.11740000111.7V31 W33 Q37 G39 V42 G43 K44V31-V35 WeakPolarHBondContact O-CB 3.17Å; V31-V35 VanDerWaalsContact O-CG2 3.26Å; V31-V35 WeakPolarHBondContact O-CG2 3.32Å; V31-V35 PolarHBondContact O-N 3.36Å; W33-V35 VanDerWaalsContact C-N 3.27Å; W33-V35 PolarHBondContact O-N 3.33Å; V35-Q37 VanDerWaalsContact C-N 3.29Å; V35-Q37 PolarHBondContact O-N 3.35Å; V35-G39 CarbonylContact O-C 3.41Å; V35-G39 WeakPolarHBondContact O-CA 3.38Å; V35-G39 PolarHBondContact O-N 2.96Å; V35-V42 HydrophobicContact CG2-CG2 4.35Å; V35-G43 WeakPolarHBondContact CG2-O 3.34Å; V35-K44 HydrophobicContact CG2-CG 4.02Å
36A91.9Very high90Very high41 Ų4150 Ų5034%0.33930%0.3SS..Hα-helixtrans-65.7-34.7175.900000112.2Q32 W33 W149Q32-A36 WeakPolarHBondContact O-CB 3.43Å; Q32-A36 PolarHBondContact O-N 3.46Å; W33-A36 PolarHBondContact O-N 3.08Å; W33-A36 VanDerWaalsContact O-N 3.11Å; A36-W149 HydrophobicContact CB-CH2 4.3Å; A36-W149 HydrophobicContact CB-CZ3 4.14Å
37Q91.7Very high89.6Confident1 Ų154.2 Ų54.21%0.00533%0.331CS..Hα-helixtrans-79.8-48.9-175.8-174.562.244.300112.5W33 I34 V35 L65 S68 L69 N142 R144W33-Q37 WeakPolarHBondContact O-CB 3.46Å; W33-Q37 PolarHBondContact O-N 3.29Å; I34-Q37 PolarHBondContact O-N 2.92Å; V35-Q37 VanDerWaalsContact C-N 3.29Å; V35-Q37 PolarHBondContact O-N 3.35Å; Q37-L65 HydrophobicContact CB-CD1 4.02Å; Q37-L65 HydrophobicContact CG-CD1 3.68Å; Q37-S68 WeakPolarHBondContact CG-OG 3.24Å; Q37-S68 PolarHBondContact NE2-OG 3.3Å; Q37-L69 HydrophobicContact CG-CD2 4.26Å; Q37-N142 PolarHBondContact NE2-O 3.22Å; Q37-R144 PolarHBondContact OE1-O 2.91Å
38C89.1Confident89.3Confident31 Ų3155 Ų5521%0.20934%0.342CS..Hα-helixtrans-88.6-21-178.9-58.50000113.6I34 V42 L65I34-C38 WeakPolarHBondContact O-CB 3.48Å; I34-C38 PolarHBondContact O-N 3.03Å; C38-V42 HydrophobicContact CB-CB 4.44Å; C38-V42 HydrophobicContact CB-CG1 3.51Å; C38-V42 HydrophobicContact CB-CG2 4.02Å; C38-L65 WeakPolarHBondContact SG-CA 3.45Å; C38-L65 PolarHBondContact SG-N 2.83Å
39G87Confident89Confident27 Ų2751.6 Ų51.628%0.27833%0.326SS..  trans89.8-174.5-172.900000113.2V35 G41 V42V35-G39 CarbonylContact O-C 3.41Å; V35-G39 WeakPolarHBondContact O-CA 3.38Å; V35-G39 PolarHBondContact O-N 2.96Å; G39-G41 PolarHBondContact O-N 2.98Å; G39-V42 WeakPolarHBondContact O-CG2 3.37Å
40S78.3Confident88.8Confident114 Ų11455.6 Ų55.680%0.79735%0.347SS*.G310 helixtrans-71-8.8-175.457.20000114.9V42 G43S40-V42 VanDerWaalsContact C-N 3.33Å; S40-V42 PolarHBondContact O-N 3.36Å; S40-G43 PolarHBondContact O-N 2.68Å
41G77.9Confident88.7Confident73 Ų7356.2 Ų56.275%0.75335%0.353SS*.G310 helixtrans-68.3-26.7-177.400000114.4G39 G43G39-G41 PolarHBondContact O-N 2.98Å; G41-G43 VanDerWaalsContact C-N 3.27Å; G41-G43 PolarHBondContact O-N 2.84Å
42V83.8Confident88.7Confident17 Ų1755.3 Ų55.310%0.10335%0.348CS..G310 helixtrans-76.7-12.5178.5-68.20000113.5I34 V35 C38 G39 S40 W55 V61 E64I34-V42 HydrophobicContact CG2-CG2 4.33Å; V35-V42 HydrophobicContact CG2-CG2 4.35Å; C38-V42 HydrophobicContact CB-CB 4.44Å; C38-V42 HydrophobicContact CB-CG1 3.51Å; C38-V42 HydrophobicContact CB-CG2 4.02Å; G39-V42 WeakPolarHBondContact O-CG2 3.37Å; S40-V42 VanDerWaalsContact C-N 3.33Å; S40-V42 PolarHBondContact O-N 3.36Å; V42-W55 HydrophobicContact CB-CZ2 4.12Å; V42-W55 HydrophobicContact CG2-CZ2 4Å; V42-W55 PolarHBondContact O-NE1 3.37Å; V42-V61 HydrophobicContact CB-CG1 4.22Å; V42-V61 HydrophobicContact CB-CG2 4.26Å; V42-V61 HydrophobicContact CG1-CG1 4.17Å; V42-V61 HydrophobicContact CG1-CG2 4.41Å; V42-E64 HydrophobicContact CG1-CB 4.41Å; V42-E64 WeakPolarHBondContact CG1-OE2 3.05Å
43G87.3Confident88.7Confident36 Ų3651.2 Ų51.237%0.37133%0.328SS..  trans69.4-165.4-173.300000113.2V35 S40 G41V35-G43 WeakPolarHBondContact CG2-O 3.34Å; S40-G43 PolarHBondContact O-N 2.68Å; G41-G43 VanDerWaalsContact C-N 3.27Å; G41-G43 PolarHBondContact O-N 2.84Å
44K88.6Confident88.7Confident163 Ų16356 Ų5671%0.70935%0.354SS*.  trans-131.5141175.7-71.5-178.6178.4-177.60109V35V35-K44 HydrophobicContact CG2-CG 4.02Å
45P90.9Very high88.7Confident24 Ų2457.7 Ų57.716%0.15636%0.361CS..PPolyproline II helixtrans-68.9159.7175.630-33.3000111.2V31 F52 W55V31-P45 HydrophobicContact CB-CG 4.4Å; V31-P45 HydrophobicContact CG1-CG 3.99Å; V31-P45 HydrophobicContact CG2-CG 3.45Å; V31-P45 VanDerWaalsContact CG2-CG 3.45Å; P45-F52 HydrophobicContact CG-CD2 4.49Å; P45-W55 HydrophobicContact CB-CB 3.78Å; P45-W55 HydrophobicContact CB-CD2 4.02Å; P45-W55 HydrophobicContact CB-CE3 3.98Å; P45-W55 HydrophobicContact CB-CG 3.98Å; P45-W55 HydrophobicContact CG-CD2 4.1Å; P45-W55 HydrophobicContact CG-CE3 3.7Å; P45-W55 HydrophobicContact CG-CZ3 4.1Å
46E88.7Confident88.8Confident161 Ų16156.3 Ų56.375%0.75235%0.352SS*.PPolyproline II helixtrans-65.7148.4161.9-171175.6-173.700109.7G48E46-G48 PolarHBondContact O-N 3.02Å
47S84.4Confident88.8Confident122 Ų12257 Ų5785%0.85335%0.347SS*.SBendtrans-58.9131.4-178.6-62.20000111.9
48G86.8Confident88.7Confident30 Ų3058.5 Ų58.531%0.30936%0.356SS..SBendtrans101166.9172.700000114E27 E46 L50 G51 F52E27-G48 WeakPolarHBondContact OE1-CA 3.5Å; E27-G48 PolarHBondContact OE1-N 3.38Å; E27-G48 VanDerWaalsContact OE1-N 3.1Å; E46-G48 PolarHBondContact O-N 3.02Å; G48-L50 VanDerWaalsContact C-N 3.28Å; G48-L50 PolarHBondContact O-N 3.02Å; G48-L50 VanDerWaalsContact O-N 3.09Å; G48-G51 PolarHBondContact O-N 3.06Å; G48-F52 PolarHBondContact O-N 3.09Å
49K87.5Confident88.8Confident52 Ų5257 Ų5723%0.22635%0.346CS..Hα-helixtrans-50.9-39.8-170.4-178.3178178-175.40114.9D19 Y22 E27 Q53 L121D19-K49 IonicContact OD1-NZ 3.36Å; D19-K49 PolarHBondContact OD1-NZ 3.13Å; D19-K49 IonicContact OD2-NZ 4Å; D19-K49 PolarHBondContact OD2-NZ 3.19Å; Y22-K49 HydrophobicContact CD1-CD 4.48Å; Y22-K49 HydrophobicContact CD2-CD 4.38Å; Y22-K49 HydrophobicContact CD2-CG 4.43Å; Y22-K49 HydrophobicContact CE1-CB 3.98Å; Y22-K49 HydrophobicContact CE1-CG 4.28Å; Y22-K49 HydrophobicContact CE2-CG 4.11Å; Y22-K49 HydrophobicContact CG-CD 4.33Å; E27-K49 PolarHBondContact OE2-N 3.23Å; K49-Q53 WeakPolarHBondContact O-CB 3.18Å; K49-Q53 PolarHBondContact O-N 3.44Å; K49-L121 HydrophobicContact CD-CD1 4.03Å; K49-L121 HydrophobicContact CG-CB 4.4Å; K49-L121 HydrophobicContact CG-CD1 3.33Å; K49-L121 HydrophobicContact CG-CG 4.46Å
50L88.8Confident89Confident126 Ų12656.7 Ų56.766%0.6634%0.339SS*.Hα-helixtrans-71.7-42.7-180-67.6175.5000111.9G48 F52 Q53 D54G48-L50 VanDerWaalsContact C-N 3.28Å; G48-L50 PolarHBondContact O-N 3.02Å; G48-L50 VanDerWaalsContact O-N 3.09Å; L50-F52 VanDerWaalsContact C-N 3.34Å; L50-Q53 WeakPolarHBondContact O-CB 3.21Å; L50-Q53 PolarHBondContact O-N 3.28Å; L50-D54 PolarHBondContact O-N 3.48Å
51G92.3Very high89.8Confident12 Ų1251.8 Ų51.812%0.12430%0.304CS..Hα-helixtrans-64-41.3175.900000111.7G48 Q53 D54 W55G48-G51 PolarHBondContact O-N 3.06Å; G51-Q53 PolarHBondContact O-N 2.85Å; G51-D54 PolarHBondContact O-N 3.14Å; G51-W55 VanDerWaalsContact O-CB 3.32Å; G51-W55 WeakPolarHBondContact O-CB 3.48Å; G51-W55 PolarHBondContact O-N 3.27Å
52F93.5Very high90.6Very high0 Ų048.3 Ų48.30%027%0.268CS..Hα-helixtrans-60.8-43.5173.1-173.7-103.5000112.3E27 L30 V31 P45 G48 L50 W55 L56 V124 L128E27-F52 HydrophobicContact CG-CB 4.12Å; E27-F52 HydrophobicContact CG-CD2 3.81Å; E27-F52 HydrophobicContact CG-CE2 4.39Å; E27-F52 HydrophobicContact CG-CG 3.97Å; L30-F52 HydrophobicContact CB-CE2 4.5Å; L30-F52 HydrophobicContact CD1-CZ 4.36Å; V31-F52 HydrophobicContact CG2-CD2 3.83Å; V31-F52 HydrophobicContact CG2-CE2 3.94Å; P45-F52 HydrophobicContact CG-CD2 4.49Å; G48-F52 PolarHBondContact O-N 3.09Å; L50-F52 VanDerWaalsContact C-N 3.34Å; F52-W55 HydrophobicContact CD2-CE3 4.31Å; F52-W55 HydrophobicContact CE2-CE3 4.43Å; F52-W55 HydrophobicContact CE2-CZ3 4.35Å; F52-L56 HydrophobicContact CD1-CD1 4.14Å; F52-L56 HydrophobicContact CE1-CD1 3.51Å; F52-L56 HydrophobicContact CE2-CD1 3.94Å; F52-L56 HydrophobicContact CZ-CD1 3.4Å; F52-L56 VanDerWaalsContact CZ-CD1 3.4Å; F52-L56 PolarHBondContact O-N 3.11Å; F52-V124 HydrophobicContact CE1-CG1 4.46Å; F52-L128 HydrophobicContact CZ-CD1 4.03Å
53Q94.3Very high91Very high16 Ų1647.5 Ų47.58%0.07526%0.263CS..Hα-helixtrans-60.7-55175.8-178.1-177.6-7.400111.5K49 L50 G51 W55 L56 K57 L115 W116 L121K49-Q53 WeakPolarHBondContact O-CB 3.18Å; K49-Q53 PolarHBondContact O-N 3.44Å; L50-Q53 WeakPolarHBondContact O-CB 3.21Å; L50-Q53 PolarHBondContact O-N 3.28Å; G51-Q53 PolarHBondContact O-N 2.85Å; Q53-W55 PolarHBondContact O-N 3.22Å; Q53-L56 PolarHBondContact O-N 3.48Å; Q53-L56 VanDerWaalsContact O-N 3.09Å; Q53-K57 WeakPolarHBondContact O-CB 3.4Å; Q53-K57 PolarHBondContact O-N 2.81Å; Q53-L115 HydrophobicContact CG-CD1 4.4Å; Q53-L115 WeakPolarHBondContact CG-O 3.35Å; Q53-L115 PolarHBondContact NE2-O 3.36Å; Q53-W116 PolarHBondContact NE2-O 2.96Å; Q53-L121 HydrophobicContact CB-CD1 3.79Å; Q53-L121 HydrophobicContact CB-CD2 4.1Å; Q53-L121 HydrophobicContact CG-CD1 4.24Å; Q53-L121 HydrophobicContact CG-CD2 4.02Å
54D93.1Very high91.3Very high101 Ų10149.3 Ų49.354%0.5426%0.262SS..Hα-helixtrans-62.1-33.3-174.6-77.8-27.7000112.1L50 G51 K57L50-D54 PolarHBondContact O-N 3.48Å; G51-D54 PolarHBondContact O-N 3.14Å; D54-K57 IonicContact OD1-NZ 3.54Å
55W94.1Very high91.5Very high36 Ų3641.6 Ų41.614%0.13623%0.228CC..Hα-helixtrans-63.8-39.9174.5-177.149.8000113.4V31 I34 V42 P45 G51 F52 Q53 V61V31-W55 HydrophobicContact CG2-CZ3 4.02Å; I34-W55 HydrophobicContact CB-CH2 3.86Å; I34-W55 HydrophobicContact CB-CZ3 4.47Å; I34-W55 HydrophobicContact CD1-CH2 4.19Å; I34-W55 HydrophobicContact CD1-CZ3 3.96Å; I34-W55 HydrophobicContact CG2-CH2 3.5Å; I34-W55 HydrophobicContact CG2-CZ2 4.04Å; I34-W55 HydrophobicContact CG2-CZ3 4.32Å; V42-W55 HydrophobicContact CB-CZ2 4.12Å; V42-W55 HydrophobicContact CG2-CZ2 4Å; V42-W55 PolarHBondContact O-NE1 3.37Å; P45-W55 HydrophobicContact CB-CB 3.78Å; P45-W55 HydrophobicContact CB-CD2 4.02Å; P45-W55 HydrophobicContact CB-CE3 3.98Å; P45-W55 HydrophobicContact CB-CG 3.98Å; P45-W55 HydrophobicContact CG-CD2 4.1Å; P45-W55 HydrophobicContact CG-CE3 3.7Å; P45-W55 HydrophobicContact CG-CZ3 4.1Å; G51-W55 VanDerWaalsContact O-CB 3.32Å; G51-W55 WeakPolarHBondContact O-CB 3.48Å; G51-W55 PolarHBondContact O-N 3.27Å; F52-W55 HydrophobicContact CD2-CE3 4.31Å; F52-W55 HydrophobicContact CE2-CE3 4.43Å; F52-W55 HydrophobicContact CE2-CZ3 4.35Å; Q53-W55 PolarHBondContact O-N 3.22Å; W55-V61 HydrophobicContact CD2-CG1 4.47Å; W55-V61 HydrophobicContact CD2-CG2 4.44Å; W55-V61 HydrophobicContact CG-CG2 4.49Å; W55-V61 HydrophobicContact CH2-CG1 4.08Å; W55-V61 HydrophobicContact CZ2-CG1 3.77Å; W55-V61 HydrophobicContact CZ2-CG2 4.41Å
56L94.2Very high91.6Very high0 Ų040.4 Ų40.40%022%0.221CC..Hα-helixtrans-91-17.5-178.6-62.5-177.7000113.6I34 F52 Q53 D58 G59 V61 L62 L115 V124 L128I34-L56 HydrophobicContact CD1-CD2 4.48Å; F52-L56 HydrophobicContact CD1-CD1 4.14Å; F52-L56 HydrophobicContact CE1-CD1 3.51Å; F52-L56 HydrophobicContact CE2-CD1 3.94Å; F52-L56 HydrophobicContact CZ-CD1 3.4Å; F52-L56 VanDerWaalsContact CZ-CD1 3.4Å; F52-L56 PolarHBondContact O-N 3.11Å; Q53-L56 PolarHBondContact O-N 3.48Å; Q53-L56 VanDerWaalsContact O-N 3.09Å; L56-D58 VanDerWaalsContact C-N 3.31Å; L56-D58 PolarHBondContact O-N 3.17Å; L56-G59 WeakPolarHBondContact O-CA 3.28Å; L56-G59 PolarHBondContact O-N 3.36Å; L56-V61 HydrophobicContact CD2-CB 3.86Å; L56-V61 HydrophobicContact CD2-CG1 3.66Å; L56-L62 HydrophobicContact CB-CG 4.44Å; L56-L62 HydrophobicContact CD1-CD2 4.31Å; L56-L62 HydrophobicContact CD2-CD2 4.01Å; L56-L62 HydrophobicContact CD2-CG 4.21Å; L56-L115 HydrophobicContact CB-CD1 3.88Å; L56-L115 HydrophobicContact CB-CD2 4.11Å; L56-V124 HydrophobicContact CD1-CG1 4.29Å; L56-L128 HydrophobicContact CD1-CD1 4.07Å
57K92.6Very high91.8Very high55 Ų5533.4 Ų33.424%0.23919%0.189CC..Hα-helixtrans-61.6-30.6-170.3-179.5172.1-177.9173.60115.1Q53 D54 G59 I92 W116Q53-K57 WeakPolarHBondContact O-CB 3.4Å; Q53-K57 PolarHBondContact O-N 2.81Å; D54-K57 IonicContact OD1-NZ 3.54Å; K57-G59 PolarHBondContact O-N 3.45Å; K57-I92 WeakPolarHBondContact O-CD1 3.36Å; K57-W116 VanDerWaalsContact CE-O 3.26Å; K57-W116 WeakPolarHBondContact CE-O 3.37Å; K57-W116 HydrophobicContact CG-CG 4.39Å
58D89.9Confident92.1Very high33 Ų3329.2 Ų29.218%0.17616%0.159CC..THydrogen-bonded Turntrans-75.7-11.9175.8-166.243.2000112.3L56 C60 S81 S82 Q88L56-D58 VanDerWaalsContact C-N 3.31Å; L56-D58 PolarHBondContact O-N 3.17Å; D58-C60 PolarHBondContact O-N 2.85Å; D58-C60 VanDerWaalsContact O-N 3.15Å; D58-C60 PolarHBondContact OD2-SG 3.08Å; D58-S81 WeakPolarHBondContact OD2-CA 3.3Å; D58-S81 WeakPolarHBondContact OD2-CB 3.44Å; D58-S82 PolarHBondContact OD1-N 3.04Å; D58-Q88 WeakPolarHBondContact OD1-CG 3.48Å; D58-Q88 PolarHBondContact OD1-NE2 3.5Å
59G90.6Very high92.3Very high0 Ų027.9 Ų27.90%015%0.145CC..SBendtrans73.3-3.9179.200000114.5L56 K57 S63 Q91L56-G59 WeakPolarHBondContact O-CA 3.28Å; L56-G59 PolarHBondContact O-N 3.36Å; K57-G59 PolarHBondContact O-N 3.45Å; G59-S63 WeakPolarHBondContact O-CB 3.17Å; G59-S63 PolarHBondContact O-N 3.35Å; G59-S63 PolarHBondContact O-OG 3.43Å; G59-Q91 PolarHBondContact O-NE2 2.64Å
60C92Very high92.2Very high20 Ų2028 Ų2814%0.13515%0.146CC..Hα-helixtrans-62.4-53.9177.9-70.40000111.9D58 L62 S63 E64 I79 Q91D58-C60 PolarHBondContact O-N 2.85Å; D58-C60 VanDerWaalsContact O-N 3.15Å; D58-C60 PolarHBondContact OD2-SG 3.08Å; C60-L62 VanDerWaalsContact C-N 3.32Å; C60-L62 PolarHBondContact O-N 3.34Å; C60-S63 WeakPolarHBondContact O-CB 3.25Å; C60-S63 PolarHBondContact O-N 2.99Å; C60-E64 WeakPolarHBondContact O-CG 3.15Å; C60-E64 PolarHBondContact O-N 3.32Å; C60-I79 HydrophobicContact CB-CG2 3.96Å; C60-Q91 PolarHBondContact SG-NE2 2.88Å
61V94.3Very high91.6Very high11 Ų1128.3 Ų28.37%0.06714%0.142CC..Hα-helixtrans-58.8-43.41801790000111.6I34 V42 W55 L56 S63 E64 L65I34-V61 HydrophobicContact CG2-CG1 3.59Å; V42-V61 HydrophobicContact CB-CG1 4.22Å; V42-V61 HydrophobicContact CB-CG2 4.26Å; V42-V61 HydrophobicContact CG1-CG1 4.17Å; V42-V61 HydrophobicContact CG1-CG2 4.41Å; W55-V61 HydrophobicContact CD2-CG1 4.47Å; W55-V61 HydrophobicContact CD2-CG2 4.44Å; W55-V61 HydrophobicContact CG-CG2 4.49Å; W55-V61 HydrophobicContact CH2-CG1 4.08Å; W55-V61 HydrophobicContact CZ2-CG1 3.77Å; W55-V61 HydrophobicContact CZ2-CG2 4.41Å; L56-V61 HydrophobicContact CD2-CB 3.86Å; L56-V61 HydrophobicContact CD2-CG1 3.66Å; V61-S63 VanDerWaalsContact C-N 3.3Å; V61-S63 PolarHBondContact O-N 3.06Å; V61-E64 PolarHBondContact O-N 3.33Å; V61-L65 WeakPolarHBondContact O-CB 3.39Å; V61-L65 PolarHBondContact O-N 3.07Å
62L94.3Very high90.4Very high0 Ų035.2 Ų35.20%018%0.176CC..Hα-helixtrans-62.1-39.9176.4-67.8-179.7000112L56 C60 L65 I66 F95 F110 L115 L128L56-L62 HydrophobicContact CB-CG 4.44Å; L56-L62 HydrophobicContact CD1-CD2 4.31Å; L56-L62 HydrophobicContact CD2-CD2 4.01Å; L56-L62 HydrophobicContact CD2-CG 4.21Å; C60-L62 VanDerWaalsContact C-N 3.32Å; C60-L62 PolarHBondContact O-N 3.34Å; L62-L65 WeakPolarHBondContact O-CB 3.21Å; L62-L65 PolarHBondContact O-N 2.89Å; L62-I66 PolarHBondContact O-N 3.04Å; L62-F95 HydrophobicContact CB-CB 4.14Å; L62-F95 HydrophobicContact CB-CD1 4.23Å; L62-F95 HydrophobicContact CB-CD2 3.79Å; L62-F95 HydrophobicContact CB-CE2 4.24Å; L62-F95 HydrophobicContact CB-CG 3.77Å; L62-F95 HydrophobicContact CD1-CD1 4.05Å; L62-F95 HydrophobicContact CD1-CE1 4.4Å; L62-F95 HydrophobicContact CD1-CG 4.38Å; L62-F95 HydrophobicContact CD2-CE1 4.3Å; L62-F95 HydrophobicContact CD2-CE2 4.4Å; L62-F95 HydrophobicContact CD2-CZ 4.18Å; L62-F95 WeakPolarHBondContact O-CD2 3.43Å; L62-F110 HydrophobicContact CD1-CZ 4.11Å; L62-L115 HydrophobicContact CD1-CD2 3.49Å; L62-L115 VanDerWaalsContact CD1-CD2 3.49Å; L62-L128 HydrophobicContact CD2-CD2 3.87Å
63S93.5Very high89.7Confident0 Ų041 Ų410%021%0.207CC..Hα-helixtrans-70.3-38.1179.5-58.90000112G59 C60 V61 I66 N67 I76 Q91G59-S63 WeakPolarHBondContact O-CB 3.17Å; G59-S63 PolarHBondContact O-N 3.35Å; G59-S63 PolarHBondContact O-OG 3.43Å; C60-S63 WeakPolarHBondContact O-CB 3.25Å; C60-S63 PolarHBondContact O-N 2.99Å; V61-S63 VanDerWaalsContact C-N 3.3Å; V61-S63 PolarHBondContact O-N 3.06Å; S63-I66 WeakPolarHBondContact O-CG2 3.48Å; S63-N67 VanDerWaalsContact O-CB 3.22Å; S63-N67 WeakPolarHBondContact O-CB 3.48Å; S63-N67 PolarHBondContact O-N 3.13Å; S63-N67 PolarHBondContact O-ND2 3.15Å; S63-I76 WeakPolarHBondContact OG-CD1 3.35Å; S63-Q91 WeakPolarHBondContact OG-CG 3.46Å
64E92.5Very high89.2Confident74 Ų7445.7 Ų45.735%0.34623%0.227SC..Hα-helixtrans-65.6-41.1172.6-69.7-174.8-172.700111.5V42 C60 V61 N67 S68 I79V42-E64 HydrophobicContact CG1-CB 4.41Å; V42-E64 WeakPolarHBondContact CG1-OE2 3.05Å; C60-E64 WeakPolarHBondContact O-CG 3.15Å; C60-E64 PolarHBondContact O-N 3.32Å; V61-E64 PolarHBondContact O-N 3.33Å; E64-N67 PolarHBondContact O-N 2.87Å; E64-S68 WeakPolarHBondContact O-CB 3.2Å; E64-S68 PolarHBondContact O-N 3.34Å; E64-I79 HydrophobicContact CB-CD1 4.44Å; E64-I79 HydrophobicContact CG-CD1 3.61Å
65L93.7Very high88.8Confident0 Ų043.4 Ų43.40%022%0.218CC..Hα-helixtrans-57.5-56.3177.3-179.866.4000111.2W33 I34 Q37 C38 V61 L62 N67 S68 L69 L128 L131W33-L65 HydrophobicContact CH2-CD1 4.01Å; W33-L65 HydrophobicContact CH2-CD2 4.04Å; W33-L65 HydrophobicContact CH2-CG 4.34Å; W33-L65 HydrophobicContact CZ2-CD1 4.13Å; W33-L65 HydrophobicContact CZ3-CD1 4.24Å; W33-L65 HydrophobicContact CZ3-CD2 3.89Å; I34-L65 HydrophobicContact CD1-CD2 4.43Å; I34-L65 HydrophobicContact CG1-CD1 4.12Å; I34-L65 HydrophobicContact CG1-CD2 3.99Å; Q37-L65 HydrophobicContact CB-CD1 4.02Å; Q37-L65 HydrophobicContact CG-CD1 3.68Å; C38-L65 WeakPolarHBondContact SG-CA 3.45Å; C38-L65 PolarHBondContact SG-N 2.83Å; V61-L65 WeakPolarHBondContact O-CB 3.39Å; V61-L65 PolarHBondContact O-N 3.07Å; L62-L65 WeakPolarHBondContact O-CB 3.21Å; L62-L65 PolarHBondContact O-N 2.89Å; L65-N67 VanDerWaalsContact C-N 3.32Å; L65-N67 PolarHBondContact O-N 3.19Å; L65-S68 PolarHBondContact O-N 2.92Å; L65-S68 PolarHBondContact O-OG 3.23Å; L65-L69 PolarHBondContact O-N 3.06Å; L65-L128 HydrophobicContact CD2-CD2 3.76Å; L65-L131 HydrophobicContact CD2-CD2 4.16Å
66I93.2Very high88.5Confident0 Ų041.9 Ų41.90%021%0.212CC..Hα-helixtrans-64.1-40.4-179.6-165.861.6000111.1L62 S63 S68 L69 H70 P75 I76 F95 A98 F102 L131L62-I66 PolarHBondContact O-N 3.04Å; S63-I66 WeakPolarHBondContact O-CG2 3.48Å; I66-S68 VanDerWaalsContact C-N 3.29Å; I66-S68 PolarHBondContact O-N 3.26Å; I66-L69 HydrophobicContact CD1-CD1 4.35Å; I66-L69 WeakPolarHBondContact O-CB 3.35Å; I66-L69 PolarHBondContact O-N 2.88Å; I66-L69 VanDerWaalsContact O-N 3.1Å; I66-H70 PolarHBondContact O-CD2 3.47Å; I66-H70 VanDerWaalsContact O-CD2 3.25Å; I66-P75 HydrophobicContact CG1-CG 4.15Å; I66-P75 HydrophobicContact CG2-CG 4.21Å; I66-I76 HydrophobicContact CG2-CD1 3.8Å; I66-I76 HydrophobicContact CG2-CG1 4.43Å; I66-F95 HydrophobicContact CB-CD2 3.91Å; I66-F95 HydrophobicContact CB-CE2 4.09Å; I66-F95 HydrophobicContact CG2-CD2 3.96Å; I66-A98 HydrophobicContact CG1-CB 3.74Å; I66-A98 HydrophobicContact CG2-CB 4.24Å; I66-F102 HydrophobicContact CD1-CB 4.05Å; I66-F102 HydrophobicContact CD1-CD2 4.35Å; I66-F102 HydrophobicContact CD1-CG 4.14Å; I66-L131 HydrophobicContact CD1-CD1 3.91Å; I66-L131 HydrophobicContact CD1-CD2 4.33Å
67N92.8Very high88Confident14 Ų1450.8 Ų50.88%0.07525%0.251CS..Hα-helixtrans-62.3-34.4178-82.7-11.6000113.3S63 E64 L65 L69 H70 K74 P75 I76 I79S63-N67 VanDerWaalsContact O-CB 3.22Å; S63-N67 WeakPolarHBondContact O-CB 3.48Å; S63-N67 PolarHBondContact O-N 3.13Å; S63-N67 PolarHBondContact O-ND2 3.15Å; E64-N67 PolarHBondContact O-N 2.87Å; L65-N67 VanDerWaalsContact C-N 3.32Å; L65-N67 PolarHBondContact O-N 3.19Å; N67-L69 PolarHBondContact O-N 3.31Å; N67-H70 PolarHBondContact O-N 3.44Å; N67-H70 VanDerWaalsContact O-O 3.07Å; N67-K74 HydrophobicContact CB-CD 4.37Å; N67-K74 HydrophobicContact CB-CG 4.3Å; N67-P75 VanDerWaalsContact OD1-CD 3.23Å; N67-P75 WeakPolarHBondContact OD1-CD 3.45Å; N67-I76 PolarHBondContact ND2-O 3.45Å; N67-I76 PolarHBondContact OD1-N 3.29Å; N67-I76 VanDerWaalsContact OD1-N 3.07Å; N67-I76 PolarHBondContact OD1-O 3.37Å; N67-I79 WeakPolarHBondContact ND2-CD1 3.42Å
68S90.8Very high87.6Confident33 Ų3356.2 Ų56.223%0.23128%0.275CS..Hα-helixtrans-67.4-27.3177.376.50000112.6Q37 E64 L65 I66 H70Q37-S68 WeakPolarHBondContact CG-OG 3.24Å; Q37-S68 PolarHBondContact NE2-OG 3.3Å; E64-S68 WeakPolarHBondContact O-CB 3.2Å; E64-S68 PolarHBondContact O-N 3.34Å; L65-S68 PolarHBondContact O-N 2.92Å; L65-S68 PolarHBondContact O-OG 3.23Å; I66-S68 VanDerWaalsContact C-N 3.29Å; I66-S68 PolarHBondContact O-N 3.26Å; S68-H70 PolarHBondContact O-N 3.44Å
69L89.9Confident87.4Confident2 Ų257.2 Ų57.21%0.0128%0.28CS..THydrogen-bonded Turntrans-77.8-8.1177.3-63.4172.5000112.6W33 Q37 L65 I66 N67 F102 L131 A135 N142W33-L69 HydrophobicContact CZ2-CD1 4.48Å; Q37-L69 HydrophobicContact CG-CD2 4.26Å; L65-L69 PolarHBondContact O-N 3.06Å; I66-L69 HydrophobicContact CD1-CD1 4.35Å; I66-L69 WeakPolarHBondContact O-CB 3.35Å; I66-L69 PolarHBondContact O-N 2.88Å; I66-L69 VanDerWaalsContact O-N 3.1Å; N67-L69 PolarHBondContact O-N 3.31Å; L69-F102 HydrophobicContact CB-CE2 3.95Å; L69-F102 HydrophobicContact CB-CZ 4Å; L69-F102 HydrophobicContact CD1-CE1 4.39Å; L69-F102 HydrophobicContact CD1-CZ 4.33Å; L69-L131 HydrophobicContact CD1-CD1 4.14Å; L69-L131 HydrophobicContact CD1-CD2 4.14Å; L69-L131 HydrophobicContact CD1-CG 4.03Å; L69-A135 HydrophobicContact CD1-CB 4.34Å; L69-A135 HydrophobicContact CD2-CB 3.81Å; L69-N142 PolarHBondContact O-ND2 3.43Å
70H86.1Confident87.2Confident54 Ų5459.6 Ų59.625%0.2530%0.299CS..  trans-110.3133175.8-72.5-88.7000111.1I66 N67 S68 P75 F102I66-H70 PolarHBondContact O-CD2 3.47Å; I66-H70 VanDerWaalsContact O-CD2 3.25Å; N67-H70 PolarHBondContact O-N 3.44Å; N67-H70 VanDerWaalsContact O-O 3.07Å; S68-H70 PolarHBondContact O-N 3.44Å; H70-P75 VanDerWaalsContact CD2-CD 3.45Å; H70-P75 WeakPolarHBondContact CD2-CD 3.26Å; H70-F102 AromaticContact CE1-CD2 3.79Å; H70-F102 AromaticContact NE2-CD2 3.55Å
71K75.1Confident86.8Confident133 Ų13363.3 Ų63.358%0.57833%0.325SS*.SBendtrans-73.4-65.3176.6-65.6-170.3-173.5176.20111.9D140 N142K71-D140 WeakPolarHBondContact CE-O 3.26Å; K71-D140 PolarHBondContact NZ-O 3.2Å; K71-N142 WeakPolarHBondContact CD-OD1 3.43Å; K71-N142 WeakPolarHBondContact CE-OD1 3.39Å; K71-N142 WeakPolarHBondContact CG-ND2 3.24Å; K71-N142 WeakPolarHBondContact CG-OD1 3.48Å; K71-N142 PolarHBondContact N-ND2 3.33Å; K71-N142 VanDerWaalsContact N-ND2 3.14Å
72D68.2Low86.4Confident158 Ų15863.8 Ų63.885%0.84533%0.329SS*.SBendtrans-103.9-41.8-163.4-55-47.8000112.9
73N78.4Confident86.1Confident121 Ų12169.7 Ų69.765%0.64737%0.37SS*.  trans-107.485.5-177.4-166.514.8000111P75N73-P75 WeakPolarHBondContact O-CD 3.27Å
74K84.4Confident86Confident115 Ų11575 Ų7550%0.540%0.397SS..  trans-63.4118.3174.4-69.4-178.7-178.4-179.40109.5N67 I76N67-K74 HydrophobicContact CB-CD 4.37Å; N67-K74 HydrophobicContact CB-CG 4.3Å; K74-I76 PolarHBondContact O-N 3.46Å
75P84.6Confident85.8Confident53 Ų5373.4 Ų73.434%0.34440%0.396SS..SBendtrans-63.1-32.9-177.723.6-33.7000112.1I66 N67 H70 N73 A98I66-P75 HydrophobicContact CG1-CG 4.15Å; I66-P75 HydrophobicContact CG2-CG 4.21Å; N67-P75 VanDerWaalsContact OD1-CD 3.23Å; N67-P75 WeakPolarHBondContact OD1-CD 3.45Å; H70-P75 VanDerWaalsContact CD2-CD 3.45Å; H70-P75 WeakPolarHBondContact CD2-CD 3.26Å; N73-P75 WeakPolarHBondContact O-CD 3.27Å; P75-A98 HydrophobicContact CB-CB 3.64Å; P75-A98 HydrophobicContact CG-CB 3.75Å
76I87.4Confident85.7Confident3 Ų380.8 Ų80.82%0.01543%0.428CS..  trans-111.4101.6-177.3-56.4176000109.2S63 I66 N67 K74 I79 Q94 F95S63-I76 WeakPolarHBondContact OG-CD1 3.35Å; I66-I76 HydrophobicContact CG2-CD1 3.8Å; I66-I76 HydrophobicContact CG2-CG1 4.43Å; N67-I76 PolarHBondContact ND2-O 3.45Å; N67-I76 PolarHBondContact OD1-N 3.29Å; N67-I76 VanDerWaalsContact OD1-N 3.07Å; N67-I76 PolarHBondContact OD1-O 3.37Å; K74-I76 PolarHBondContact O-N 3.46Å; I76-I79 HydrophobicContact CG2-CG1 4.01Å; I76-Q94 HydrophobicContact CD1-CB 4.03Å; I76-Q94 HydrophobicContact CG1-CB 4.2Å; I76-F95 HydrophobicContact CD1-CB 4.33Å
77K83.8Confident85.6Confident188 Ų18885.8 Ų85.882%0.81745%0.45SS*.  trans-77.2-29.9-174-63.2-176.6-177.9-179.80113.8
78K84Confident85.6Confident169 Ų16986.5 Ų86.574%0.73545%0.453SS*.  trans-125.5102.2-173.4-170.1176.7-1771780109.7
79I86.5Confident85.7Confident54 Ų5487.6 Ų87.628%0.27746%0.455SS..  trans-99.7118.7172.5-56179000106.3C60 E64 N67 I76C60-I79 HydrophobicContact CB-CG2 3.96Å; E64-I79 HydrophobicContact CB-CD1 4.44Å; E64-I79 HydrophobicContact CG-CD1 3.61Å; N67-I79 WeakPolarHBondContact ND2-CD1 3.42Å; I76-I79 HydrophobicContact CG2-CG1 4.01Å
80A85.1Confident85.9Confident50 Ų5092.1 Ų92.141%0.41348%0.476SS..  trans-144.9120.2178.700000109.6S82 Q91A80-S82 PolarHBondContact O-N 3.3Å; A80-Q91 PolarHBondContact O-OE1 3.03Å
81S84.4Confident86.2Confident97 Ų9790.2 Ų90.268%0.67847%0.467SS*.  trans-62.7134.8175.261.40000110.4D58D58-S81 WeakPolarHBondContact OD2-CA 3.3Å; D58-S81 WeakPolarHBondContact OD2-CB 3.44Å
82S86.4Confident87.2Confident22 Ų2283.9 Ų83.915%0.15444%0.44CS..  trans-144.8130.8-177.8162.60000110.8D58 A80 M84 K87 Q88D58-S82 PolarHBondContact OD1-N 3.04Å; A80-S82 PolarHBondContact O-N 3.3Å; S82-M84 PolarHBondContact O-N 3.44Å; S82-M84 WeakPolarHBondContact OG-CB 3.34Å; S82-M84 PolarHBondContact OG-N 3.41Å; S82-K87 VanDerWaalsContact OG-CD 3.26Å; S82-K87 WeakPolarHBondContact OG-CD 3.47Å; S82-Q88 WeakPolarHBondContact O-CG 3.36Å; S82-Q88 PolarHBondContact O-NE2 3.34Å
83S87.7Confident88.4Confident123 Ų12379 Ų7986%0.8642%0.418SS*.SBendtrans-69.2-13.3172.659.40000113.9A85S83-A85 PolarHBondContact O-N 2.98Å
84M90.2Very high89.2Confident113 Ų11376.7 Ų76.756%0.55740%0.403SS*.  trans-75.8115.5179.1-54.5-176.589.900111.2S82 F86 K87 Q88S82-M84 PolarHBondContact O-N 3.44Å; S82-M84 WeakPolarHBondContact OG-CB 3.34Å; S82-M84 PolarHBondContact OG-N 3.41Å; M84-F86 VanDerWaalsContact C-N 3.27Å; M84-F86 PolarHBondContact O-N 2.98Å; M84-F86 VanDerWaalsContact O-N 3.14Å; M84-K87 HydrophobicContact CB-CB 4.41Å; M84-K87 HydrophobicContact CB-CD 4.26Å; M84-K87 HydrophobicContact CB-CG 4.3Å; M84-K87 PolarHBondContact O-N 3.14Å; M84-K87 HydrophobicContact SD-CD 4.08Å; M84-Q88 PolarHBondContact O-N 3.16Å
85A89.8Confident89.7Confident39 Ų3971.2 Ų71.232%0.32238%0.379SS..Hα-helixtrans-45.8-45.5178.700000114.3S83 K87 Q88 M89 W116S83-A85 PolarHBondContact O-N 2.98Å; A85-K87 VanDerWaalsContact C-N 3.35Å; A85-K87 PolarHBondContact O-N 3.02Å; A85-Q88 PolarHBondContact O-N 3.21Å; A85-M89 WeakPolarHBondContact O-CG 3.34Å; A85-M89 PolarHBondContact O-N 3.19Å; A85-W116 HydrophobicContact CB-CH2 3.87Å; A85-W116 HydrophobicContact CB-CZ2 3.3Å
86F90.9Very high90.2Very high155 Ų15569.6 Ų69.668%0.6837%0.368SS*.Hα-helixtrans-60.3-42.2-179.8177.9-96.1000112.6M84 M89 E90M84-F86 VanDerWaalsContact C-N 3.27Å; M84-F86 PolarHBondContact O-N 2.98Å; M84-F86 VanDerWaalsContact O-N 3.14Å; F86-M89 PolarHBondContact O-N 3.13Å; F86-E90 WeakPolarHBondContact O-CB 3.24Å; F86-E90 PolarHBondContact O-N 3.09Å
87K91.3Very high90.6Very high106 Ų10673.4 Ų73.446%0.46139%0.391SS..Hα-helixtrans-67.8-38.9178.9-71.7-179.1172.8173.70111.8S82 M84 A85 E90 Q91S82-K87 VanDerWaalsContact OG-CD 3.26Å; S82-K87 WeakPolarHBondContact OG-CD 3.47Å; M84-K87 HydrophobicContact CB-CB 4.41Å; M84-K87 HydrophobicContact CB-CD 4.26Å; M84-K87 HydrophobicContact CB-CG 4.3Å; M84-K87 PolarHBondContact O-N 3.14Å; M84-K87 HydrophobicContact SD-CD 4.08Å; A85-K87 VanDerWaalsContact C-N 3.35Å; A85-K87 PolarHBondContact O-N 3.02Å; K87-E90 PolarHBondContact O-N 2.84Å; K87-Q91 WeakPolarHBondContact O-CB 3.34Å; K87-Q91 PolarHBondContact O-N 2.78Å
88Q92.5Very high91.1Very high28 Ų2864.8 Ų64.813%0.13136%0.355CS..Hα-helixtrans-61.8-47.7175.1-60.7-175.7-39.700111.1D58 S82 M84 A85 E90 Q91 I92D58-Q88 WeakPolarHBondContact OD1-CG 3.48Å; D58-Q88 PolarHBondContact OD1-NE2 3.5Å; S82-Q88 WeakPolarHBondContact O-CG 3.36Å; S82-Q88 PolarHBondContact O-NE2 3.34Å; M84-Q88 PolarHBondContact O-N 3.16Å; A85-Q88 PolarHBondContact O-N 3.21Å; Q88-E90 VanDerWaalsContact C-N 3.34Å; Q88-E90 PolarHBondContact O-N 3.22Å; Q88-Q91 PolarHBondContact O-N 3.46Å; Q88-I92 WeakPolarHBondContact O-CG1 3.26Å; Q88-I92 PolarHBondContact O-N 3.41Å
89M92.9Very high91.5Very high56 Ų5656.7 Ų56.728%0.27632%0.32SS..Hα-helixtrans-61.2-41.9177.1-71.9-176.3-179.700112.5A85 F86 Q91 I92 S93 T112 W116A85-M89 WeakPolarHBondContact O-CG 3.34Å; A85-M89 PolarHBondContact O-N 3.19Å; F86-M89 PolarHBondContact O-N 3.13Å; M89-Q91 VanDerWaalsContact C-N 3.34Å; M89-I92 PolarHBondContact O-N 3.26Å; M89-S93 PolarHBondContact O-N 3.49Å; M89-T112 HydrophobicContact CB-CG2 3.64Å; M89-T112 HydrophobicContact CG-CG2 3.75Å; M89-T112 WeakPolarHBondContact O-CG2 3.4Å; M89-W116 HydrophobicContact CE-CD2 3.35Å; M89-W116 HydrophobicContact CE-CE3 3.09Å; M89-W116 HydrophobicContact CE-CG 4Å; M89-W116 HydrophobicContact CE-CH2 3.94Å; M89-W116 HydrophobicContact CE-CZ2 4.18Å; M89-W116 HydrophobicContact CE-CZ3 3.4Å; M89-W116 VanDerWaalsContact CE-CZ3 3.4Å; M89-W116 HydrophobicContact CG-CB 4.48Å; M89-W116 HydrophobicContact CG-CD2 4.25Å; M89-W116 HydrophobicContact CG-CG 4.04Å
90E93.6Very high91.9Very high97 Ų9757.8 Ų57.845%0.45332%0.324SS..Hα-helixtrans-62.3-41.7175.7-175.3-179.5-17000111.4F86 K87 Q88 S93 Q94F86-E90 WeakPolarHBondContact O-CB 3.24Å; F86-E90 PolarHBondContact O-N 3.09Å; K87-E90 PolarHBondContact O-N 2.84Å; Q88-E90 VanDerWaalsContact C-N 3.34Å; Q88-E90 PolarHBondContact O-N 3.22Å; E90-S93 WeakPolarHBondContact O-CB 3.49Å; E90-S93 PolarHBondContact O-N 3.42Å; E90-Q94 WeakPolarHBondContact O-CG 3.25Å; E90-Q94 PolarHBondContact O-N 3Å
91Q93.1Very high92.2Very high15 Ų1560.1 Ų60.17%0.0734%0.337CS..Hα-helixtrans-68.1-39.7179.5-165.5163.5-55.300112.4G59 C60 S63 A80 K87 Q88 M89 S93 Q94 F95G59-Q91 PolarHBondContact O-NE2 2.64Å; C60-Q91 PolarHBondContact SG-NE2 2.88Å; S63-Q91 WeakPolarHBondContact OG-CG 3.46Å; A80-Q91 PolarHBondContact O-OE1 3.03Å; K87-Q91 WeakPolarHBondContact O-CB 3.34Å; K87-Q91 PolarHBondContact O-N 2.78Å; Q88-Q91 PolarHBondContact O-N 3.46Å; M89-Q91 VanDerWaalsContact C-N 3.34Å; Q91-S93 VanDerWaalsContact C-N 3.3Å; Q91-S93 PolarHBondContact O-N 3.02Å; Q91-Q94 PolarHBondContact O-N 2.9Å; Q91-F95 PolarHBondContact O-N 3.32Å; Q91-F95 VanDerWaalsContact O-N 3.1Å
92I95.3Very high92.5Very high0 Ų055.8 Ų55.80%031%0.306CS..Hα-helixtrans-60.4-41.9170.5-65.7164.6000110.6K57 Q88 M89 Q94 F95 L96 F110 T112 L115 W116K57-I92 WeakPolarHBondContact O-CD1 3.36Å; Q88-I92 WeakPolarHBondContact O-CG1 3.26Å; Q88-I92 PolarHBondContact O-N 3.41Å; M89-I92 PolarHBondContact O-N 3.26Å; I92-Q94 VanDerWaalsContact C-N 3.34Å; I92-Q94 PolarHBondContact O-N 3.43Å; I92-F95 WeakPolarHBondContact O-CB 2.93Å; I92-F95 PolarHBondContact O-N 3.1Å; I92-L96 HydrophobicContact CG2-CD1 4.39Å; I92-L96 WeakPolarHBondContact O-CG 3.48Å; I92-L96 PolarHBondContact O-N 3.43Å; I92-F110 HydrophobicContact CG2-CE2 3.62Å; I92-F110 HydrophobicContact CG2-CZ 3.95Å; I92-T112 HydrophobicContact CB-CG2 4.07Å; I92-T112 HydrophobicContact CD1-CG2 4.25Å; I92-T112 HydrophobicContact CG2-CG2 4.07Å; I92-L115 HydrophobicContact CD1-CD2 3.93Å; I92-L115 HydrophobicContact CD1-CG 4.28Å; I92-L115 HydrophobicContact CG1-CD2 4.14Å; I92-L115 HydrophobicContact CG2-CD2 4.39Å; I92-W116 HydrophobicContact CD1-CB 4.22Å
93S94.4Very high92.7Very high55 Ų5556.7 Ų56.739%0.38532%0.319SS..Hα-helixtrans-63-38.9177.6-171.20000112.7M89 E90 Q91 F95 L96 T97M89-S93 PolarHBondContact O-N 3.49Å; E90-S93 WeakPolarHBondContact O-CB 3.49Å; E90-S93 PolarHBondContact O-N 3.42Å; Q91-S93 VanDerWaalsContact C-N 3.3Å; Q91-S93 PolarHBondContact O-N 3.02Å; S93-F95 VanDerWaalsContact C-N 3.34Å; S93-F95 PolarHBondContact O-N 3.41Å; S93-L96 PolarHBondContact O-N 3.05Å; S93-T97 PolarHBondContact O-N 2.66Å; S93-T97 PolarHBondContact O-OG1 3.24Å
94Q94.8Very high93Very high72 Ų7251.1 Ų51.134%0.33628%0.28SS..Hα-helixtrans-61.8-41.9173.5-72.1174.16400111.6I76 E90 Q91 I92 T97 A98I76-Q94 HydrophobicContact CD1-CB 4.03Å; I76-Q94 HydrophobicContact CG1-CB 4.2Å; E90-Q94 WeakPolarHBondContact O-CG 3.25Å; E90-Q94 PolarHBondContact O-N 3Å; Q91-Q94 PolarHBondContact O-N 2.9Å; I92-Q94 VanDerWaalsContact C-N 3.34Å; I92-Q94 PolarHBondContact O-N 3.43Å; Q94-T97 PolarHBondContact O-N 2.87Å; Q94-A98 WeakPolarHBondContact O-CB 3.41Å; Q94-A98 PolarHBondContact O-N 3.34Å
95F95.6Very high93Very high0 Ų050.1 Ų50.10%028%0.276CS..Hα-helixtrans-59.4-47.6172.8164.4-96.4000112L62 I66 I76 Q91 I92 S93 T97 A98 A99 F110 L128 L131L62-F95 HydrophobicContact CB-CB 4.14Å; L62-F95 HydrophobicContact CB-CD1 4.23Å; L62-F95 HydrophobicContact CB-CD2 3.79Å; L62-F95 HydrophobicContact CB-CE2 4.24Å; L62-F95 HydrophobicContact CB-CG 3.77Å; L62-F95 HydrophobicContact CD1-CD1 4.05Å; L62-F95 HydrophobicContact CD1-CE1 4.4Å; L62-F95 HydrophobicContact CD1-CG 4.38Å; L62-F95 HydrophobicContact CD2-CE1 4.3Å; L62-F95 HydrophobicContact CD2-CE2 4.4Å; L62-F95 HydrophobicContact CD2-CZ 4.18Å; L62-F95 WeakPolarHBondContact O-CD2 3.43Å; I66-F95 HydrophobicContact CB-CD2 3.91Å; I66-F95 HydrophobicContact CB-CE2 4.09Å; I66-F95 HydrophobicContact CG2-CD2 3.96Å; I76-F95 HydrophobicContact CD1-CB 4.33Å; Q91-F95 PolarHBondContact O-N 3.32Å; Q91-F95 VanDerWaalsContact O-N 3.1Å; I92-F95 WeakPolarHBondContact O-CB 2.93Å; I92-F95 PolarHBondContact O-N 3.1Å; S93-F95 VanDerWaalsContact C-N 3.34Å; S93-F95 PolarHBondContact O-N 3.41Å; F95-T97 VanDerWaalsContact C-N 3.31Å; F95-T97 PolarHBondContact O-N 3.32Å; F95-A98 PolarHBondContact O-N 3.45Å; F95-A98 VanDerWaalsContact O-N 3.16Å; F95-A99 HydrophobicContact CE1-CB 4.42Å; F95-A99 HydrophobicContact CZ-CB 4.25Å; F95-A99 WeakPolarHBondContact O-CB 3.46Å; F95-A99 PolarHBondContact O-N 2.94Å; F95-F110 HydrophobicContact CD1-CE1 4.3Å; F95-F110 HydrophobicContact CD1-CZ 4.17Å; F95-F110 AromaticContact CE1-CE1 3.8Å; F95-F110 HydrophobicContact CE1-CE1 3.8Å; F95-F110 HydrophobicContact CE1-CZ 4.13Å; F95-L128 HydrophobicContact CZ-CD2 4.02Å; F95-L131 HydrophobicContact CE2-CD2 3.96Å; F95-L131 HydrophobicContact CZ-CD2 4.01Å
96L95.4Very high93.1Very high19 Ų1954.9 Ų54.910%0.09929%0.289CS..Hα-helixtrans-59.9-42.7179.6-68173.1000111.8I92 S93 A98 A99 E100 F110I92-L96 HydrophobicContact CG2-CD1 4.39Å; I92-L96 WeakPolarHBondContact O-CG 3.48Å; I92-L96 PolarHBondContact O-N 3.43Å; S93-L96 PolarHBondContact O-N 3.05Å; L96-A98 VanDerWaalsContact C-N 3.33Å; L96-A98 PolarHBondContact O-N 2.74Å; L96-A99 PolarHBondContact O-N 3.15Å; L96-E100 PolarHBondContact O-N 3.07Å; L96-F110 HydrophobicContact CD1-CE2 4.33Å; L96-F110 WeakPolarHBondContact CD1-O 3.41Å; L96-F110 HydrophobicContact CD2-CD1 3.91Å; L96-F110 HydrophobicContact CD2-CD2 4.24Å; L96-F110 HydrophobicContact CD2-CE1 3.7Å; L96-F110 HydrophobicContact CD2-CE2 4.03Å; L96-F110 HydrophobicContact CD2-CG 4.16Å; L96-F110 HydrophobicContact CD2-CZ 3.74Å; L96-F110 WeakPolarHBondContact CD2-O 3.35Å; L96-F110 HydrophobicContact CG-CE2 4.43Å; L96-F110 HydrophobicContact CG-CZ 4.32Å
97T94.8Very high93.2Very high83 Ų8353.2 Ų53.251%0.50929%0.292SS..Hα-helixtrans-62.2-41.5176.5-54.90000111.7S93 Q94 F95 S101S93-T97 PolarHBondContact O-N 2.66Å; S93-T97 PolarHBondContact O-OG1 3.24Å; Q94-T97 PolarHBondContact O-N 2.87Å; F95-T97 VanDerWaalsContact C-N 3.31Å; F95-T97 PolarHBondContact O-N 3.32Å; T97-S101 PolarHBondContact O-N 3.03Å; T97-S101 VanDerWaalsContact O-N 3.13Å; T97-S101 PolarHBondContact O-OG 3.06Å
98A94.1Very high93.2Very high7 Ų750.6 Ų50.66%0.05828%0.283CS..Hα-helixtrans-69.3-39.8176.900000112I66 P75 Q94 F95 L96 S101 F102I66-A98 HydrophobicContact CG1-CB 3.74Å; I66-A98 HydrophobicContact CG2-CB 4.24Å; P75-A98 HydrophobicContact CB-CB 3.64Å; P75-A98 HydrophobicContact CG-CB 3.75Å; Q94-A98 WeakPolarHBondContact O-CB 3.41Å; Q94-A98 PolarHBondContact O-N 3.34Å; F95-A98 PolarHBondContact O-N 3.45Å; F95-A98 VanDerWaalsContact O-N 3.16Å; L96-A98 VanDerWaalsContact C-N 3.33Å; L96-A98 PolarHBondContact O-N 2.74Å; A98-S101 CarbonylContact O-C 3.6Å; A98-S101 PolarHBondContact O-N 3.26Å; A98-F102 WeakPolarHBondContact O-CB 3.47Å; A98-F102 PolarHBondContact O-N 3.5Å
99A94Very high93.3Very high0 Ų051.3 Ų51.30%029%0.287CS..Hα-helixtrans-65.6-40.6177.200000112.1F95 L96 F102 G103 V104F95-A99 HydrophobicContact CE1-CB 4.42Å; F95-A99 HydrophobicContact CZ-CB 4.25Å; F95-A99 WeakPolarHBondContact O-CB 3.46Å; F95-A99 PolarHBondContact O-N 2.94Å; L96-A99 PolarHBondContact O-N 3.15Å; A99-F102 WeakPolarHBondContact O-CB 3.5Å; A99-F102 PolarHBondContact O-N 3.39Å; A99-G103 PolarHBondContact O-N 3.4Å; A99-V104 HydrophobicContact CB-CB 4.48Å; A99-V104 HydrophobicContact CB-CG2 4.18Å; A99-V104 WeakPolarHBondContact O-CB 3.22Å; A99-V104 WeakPolarHBondContact O-CG2 3.16Å; A99-V104 PolarHBondContact O-N 3.06Å
100E94.1Very high93.4Very high76 Ų7648.9 Ų48.936%0.35528%0.275SS..Hα-helixtrans-58.7-50171.6-174.8-178.7160.800110.5L96 F102 G103 K106 M109L96-E100 PolarHBondContact O-N 3.07Å; E100-F102 PolarHBondContact O-N 3.39Å; E100-G103 PolarHBondContact O-N 3.3Å; E100-K106 WeakPolarHBondContact OE1-CE 3.47Å; E100-K106 IonicContact OE1-NZ 2.95Å; E100-K106 PolarHBondContact OE1-NZ 2.72Å; E100-M109 HydrophobicContact CB-CE 3.98Å; E100-M109 HydrophobicContact CB-SD 3.87Å; E100-M109 HydrophobicContact CG-CE 4.24Å
101S91.8Very high93.5Very high100 Ų10050.5 Ų50.570%0.69928%0.282SS*.Hα-helixtrans-63.5-28.2178.3-56.70000112.5T97 A98 G103T97-S101 PolarHBondContact O-N 3.03Å; T97-S101 VanDerWaalsContact O-N 3.13Å; T97-S101 PolarHBondContact O-OG 3.06Å; A98-S101 CarbonylContact O-C 3.6Å; A98-S101 PolarHBondContact O-N 3.26Å; S101-G103 VanDerWaalsContact C-N 3.27Å; S101-G103 PolarHBondContact O-N 2.94Å
102F90.8Very high93.5Very high5 Ų551.1 Ų51.12%0.02229%0.287CS..Hα-helixtrans-73.4-18.5174.4-166-98.8000112.4I66 L69 H70 A98 A99 E100 L131 V134 A135 K138I66-F102 HydrophobicContact CD1-CB 4.05Å; I66-F102 HydrophobicContact CD1-CD2 4.35Å; I66-F102 HydrophobicContact CD1-CG 4.14Å; L69-F102 HydrophobicContact CB-CE2 3.95Å; L69-F102 HydrophobicContact CB-CZ 4Å; L69-F102 HydrophobicContact CD1-CE1 4.39Å; L69-F102 HydrophobicContact CD1-CZ 4.33Å; H70-F102 AromaticContact CE1-CD2 3.79Å; H70-F102 AromaticContact NE2-CD2 3.55Å; A98-F102 WeakPolarHBondContact O-CB 3.47Å; A98-F102 PolarHBondContact O-N 3.5Å; A99-F102 WeakPolarHBondContact O-CB 3.5Å; A99-F102 PolarHBondContact O-N 3.39Å; E100-F102 PolarHBondContact O-N 3.39Å; F102-L131 HydrophobicContact CB-CD1 4.39Å; F102-L131 HydrophobicContact CD1-CD1 3.46Å; F102-L131 VanDerWaalsContact CD1-CD1 3.46Å; F102-L131 HydrophobicContact CE1-CD1 4Å; F102-L131 HydrophobicContact CG-CD1 4.14Å; F102-V134 HydrophobicContact CD1-CB 4.34Å; F102-V134 HydrophobicContact CD1-CG1 3.69Å; F102-V134 HydrophobicContact CE1-CB 4.27Å; F102-V134 HydrophobicContact CE1-CG1 3.71Å; F102-V134 WeakPolarHBondContact O-CG1 3.36Å; F102-A135 HydrophobicContact CE1-CB 4.03Å; F102-A135 HydrophobicContact CZ-CB 4.2Å; F102-K138 VanDerWaalsContact CD2-NZ 3.3Å; F102-K138 HydrophobicContact CE1-CD 4.21Å; F102-K138 HydrophobicContact CE2-CD 4.2Å; F102-K138 HydrophobicContact CZ-CD 3.86Å; F102-K138 WeakPolarHBondContact O-CE 3.43Å; F102-K138 PolarHBondContact O-NZ 2.95Å
103G90.3Very high93.4Very high42 Ų4253.4 Ų53.443%0.43330%0.301SS..THydrogen-bonded Turntrans113.114.5176.100000114.6A99 E100 S101A99-G103 PolarHBondContact O-N 3.4Å; E100-G103 PolarHBondContact O-N 3.3Å; S101-G103 VanDerWaalsContact C-N 3.27Å; S101-G103 PolarHBondContact O-N 2.94Å
104V92.9Very high93.3Very high5 Ų551.8 Ų51.83%0.0329%0.288CS..  trans-69.7134167.9-178.60000109.1A99 D108 M109 T127 L131A99-V104 HydrophobicContact CB-CB 4.48Å; A99-V104 HydrophobicContact CB-CG2 4.18Å; A99-V104 WeakPolarHBondContact O-CB 3.22Å; A99-V104 WeakPolarHBondContact O-CG2 3.16Å; A99-V104 PolarHBondContact O-N 3.06Å; V104-D108 HydrophobicContact CG1-CB 4.36Å; V104-M109 HydrophobicContact CG1-CG 4.03Å; V104-T127 HydrophobicContact CG1-CG2 4.22Å; V104-L131 HydrophobicContact CG2-CB 3.87Å; V104-L131 HydrophobicContact CG2-CD1 3.75Å; V104-L131 HydrophobicContact CG2-CG 4.43Å
105I91.4Very high93.3Very high93 Ų9348.3 Ų48.348%0.47727%0.272SS..  trans-75.3138.4-178.3-55172.8000108.7T107 D108 M109I105-T107 HydrophobicContact CG2-CG2 4.41Å; I105-T107 VanDerWaalsContact CG2-OG1 3.28Å; I105-T107 WeakPolarHBondContact CG2-OG1 3.44Å; I105-T107 PolarHBondContact O-N 3.31Å; I105-T107 VanDerWaalsContact O-N 3.1Å; I105-D108 PolarHBondContact O-N 2.9Å; I105-M109 PolarHBondContact O-N 3.42Å
106K91.6Very high93.2Very high138 Ų13850.6 Ų50.660%0.628%0.281SS*.G310 helixtrans-52.9-33.9179.9-65.4-172.5173.5-172.10114.2E100 D108 M109E100-K106 WeakPolarHBondContact OE1-CE 3.47Å; E100-K106 IonicContact OE1-NZ 2.95Å; E100-K106 PolarHBondContact OE1-NZ 2.72Å; K106-D108 PolarHBondContact O-N 3.22Å; K106-M109 HydrophobicContact CG-CE 4.24Å; K106-M109 PolarHBondContact O-N 3.28Å
107T91.8Very high92.9Very high120 Ų12053.3 Ų53.374%0.73629%0.293SS*.G310 helixtrans-64.3-26.4178.154.90000113.1I105I105-T107 HydrophobicContact CG2-CG2 4.41Å; I105-T107 VanDerWaalsContact CG2-OG1 3.28Å; I105-T107 WeakPolarHBondContact CG2-OG1 3.44Å; I105-T107 PolarHBondContact O-N 3.31Å; I105-T107 VanDerWaalsContact O-N 3.1Å
108D92.1Very high92.7Very high51 Ų5150 Ų5027%0.27328%0.275SS..G310 helixtrans-94.6-7-179.8-61-14000111.8V104 I105 K106 T127 S130V104-D108 HydrophobicContact CG1-CB 4.36Å; I105-D108 PolarHBondContact O-N 2.9Å; K106-D108 PolarHBondContact O-N 3.22Å; D108-T127 VanDerWaalsContact O-CA 3.29Å; D108-T127 WeakPolarHBondContact O-CA 3.3Å; D108-T127 WeakPolarHBondContact O-CB 3.43Å; D108-T127 PolarHBondContact O-N 3.07Å; D108-T127 PolarHBondContact O-OG1 3.31Å; D108-S130 WeakPolarHBondContact OD2-CB 2.7Å; D108-S130 PolarHBondContact OD2-OG 3.25Å
109M94.3Very high92.5Very high43 Ų4353 Ų5321%0.21229%0.287CS..PPolyproline II helixtrans-79.3131.9-178.8-67.9-150.5-61.200111.9E100 V104 I105 K106 T127E100-M109 HydrophobicContact CB-CE 3.98Å; E100-M109 HydrophobicContact CB-SD 3.87Å; E100-M109 HydrophobicContact CG-CE 4.24Å; V104-M109 HydrophobicContact CG1-CG 4.03Å; I105-M109 PolarHBondContact O-N 3.42Å; K106-M109 HydrophobicContact CG-CE 4.24Å; K106-M109 PolarHBondContact O-N 3.28Å; M109-T127 WeakPolarHBondContact CA-OG1 3.44Å
110F96Very high92.4Very high5 Ų554.1 Ų54.12%0.02229%0.293CS..PPolyproline II helixtrans-78163.2169.373.7-96.1000111.4L62 I92 F95 L96 D114 L115 A123 V124 T127L62-F110 HydrophobicContact CD1-CZ 4.11Å; I92-F110 HydrophobicContact CG2-CE2 3.62Å; I92-F110 HydrophobicContact CG2-CZ 3.95Å; F95-F110 HydrophobicContact CD1-CE1 4.3Å; F95-F110 HydrophobicContact CD1-CZ 4.17Å; F95-F110 AromaticContact CE1-CE1 3.8Å; F95-F110 HydrophobicContact CE1-CE1 3.8Å; F95-F110 HydrophobicContact CE1-CZ 4.13Å; L96-F110 HydrophobicContact CD1-CE2 4.33Å; L96-F110 WeakPolarHBondContact CD1-O 3.41Å; L96-F110 HydrophobicContact CD2-CD1 3.91Å; L96-F110 HydrophobicContact CD2-CD2 4.24Å; L96-F110 HydrophobicContact CD2-CE1 3.7Å; L96-F110 HydrophobicContact CD2-CE2 4.03Å; L96-F110 HydrophobicContact CD2-CG 4.16Å; L96-F110 HydrophobicContact CD2-CZ 3.74Å; L96-F110 WeakPolarHBondContact CD2-O 3.35Å; L96-F110 HydrophobicContact CG-CE2 4.43Å; L96-F110 HydrophobicContact CG-CZ 4.32Å; F110-D114 HydrophobicContact CB-CB 4.29Å; F110-L115 HydrophobicContact CD2-CB 4.18Å; F110-L115 HydrophobicContact CE2-CB 3.76Å; F110-L115 HydrophobicContact CE2-CD2 4.07Å; F110-L115 HydrophobicContact CZ-CB 4.47Å; F110-L115 HydrophobicContact CZ-CD2 4.05Å; F110-A123 HydrophobicContact CB-CB 3.79Å; F110-V124 HydrophobicContact CB-CG2 4.17Å; F110-V124 HydrophobicContact CD1-CB 4.25Å; F110-V124 HydrophobicContact CD1-CG1 4.29Å; F110-V124 HydrophobicContact CD1-CG2 4.06Å; F110-V124 HydrophobicContact CD2-CG2 3.97Å; F110-V124 HydrophobicContact CE1-CG1 4.16Å; F110-V124 HydrophobicContact CE1-CG2 4.46Å; F110-V124 HydrophobicContact CE2-CG2 4.4Å; F110-V124 HydrophobicContact CG-CB 4.47Å; F110-V124 HydrophobicContact CG-CG2 3.83Å; F110-T127 HydrophobicContact CD1-CG2 3.92Å; F110-T127 VanDerWaalsContact CD1-OG1 3.3Å; F110-T127 WeakPolarHBondContact CD1-OG1 3.49Å; F110-T127 HydrophobicContact CE1-CG2 4.24Å; F110-T127 PolarHBondContact N-OG1 3.06Å
111Q94.6Very high92.3Very high131 Ų13150.5 Ų50.561%0.61228%0.276SS*.PPolyproline II helixtrans-98.5150.7171.7-53.3-168.1-83.400110.7V113 D114Q111-V113 HydrophobicContact CB-CG2 4.16Å; Q111-V113 PolarHBondContact O-N 2.86Å; Q111-D114 WeakPolarHBondContact CB-OD2 3.43Å; Q111-D114 PolarHBondContact N-OD2 3.22Å; Q111-D114 WeakPolarHBondContact O-CA 3.15Å; Q111-D114 VanDerWaalsContact O-CB 3.24Å; Q111-D114 WeakPolarHBondContact O-CB 3.46Å; Q111-D114 PolarHBondContact O-N 2.99Å
112T94.1Very high92.4Very high28 Ų2845.9 Ų45.917%0.17224%0.244CC..Hα-helixtrans-49-35.7-178.9-54.90000114.5M89 I92 D114 W116M89-T112 HydrophobicContact CB-CG2 3.64Å; M89-T112 HydrophobicContact CG-CG2 3.75Å; M89-T112 WeakPolarHBondContact O-CG2 3.4Å; I92-T112 HydrophobicContact CB-CG2 4.07Å; I92-T112 HydrophobicContact CD1-CG2 4.25Å; I92-T112 HydrophobicContact CG2-CG2 4.07Å; T112-D114 VanDerWaalsContact C-N 3.31Å; T112-D114 PolarHBondContact O-N 3.3Å; T112-W116 VanDerWaalsContact O-CB 3.26Å; T112-W116 WeakPolarHBondContact O-CB 3.4Å; T112-W116 PolarHBondContact O-N 3.29Å
113V92Very high92.6Very high48 Ų4846 Ų4629%0.29125%0.246SC..Hα-helixtrans-69-26.4177.6-63.30000113.6Q111 L115 E117 K119Q111-V113 HydrophobicContact CB-CG2 4.16Å; Q111-V113 PolarHBondContact O-N 2.86Å; V113-L115 VanDerWaalsContact C-N 3.31Å; V113-L115 PolarHBondContact O-N 2.95Å; V113-E117 WeakPolarHBondContact O-CA 3.39Å; V113-E117 WeakPolarHBondContact O-CB 3.34Å; V113-E117 PolarHBondContact O-N 3.47Å; V113-K119 HydrophobicContact CG2-CD 4.37Å
114D93.6Very high92.9Very high21 Ų2144 Ų4411%0.11223%0.225CC..Hα-helixtrans-67-37.1-179.7-60-29.5000111.1F110 Q111 T112 G118 K119 D120F110-D114 HydrophobicContact CB-CB 4.29Å; Q111-D114 WeakPolarHBondContact CB-OD2 3.43Å; Q111-D114 PolarHBondContact N-OD2 3.22Å; Q111-D114 WeakPolarHBondContact O-CA 3.15Å; Q111-D114 VanDerWaalsContact O-CB 3.24Å; Q111-D114 WeakPolarHBondContact O-CB 3.46Å; Q111-D114 PolarHBondContact O-N 2.99Å; T112-D114 VanDerWaalsContact C-N 3.31Å; T112-D114 PolarHBondContact O-N 3.3Å; D114-G118 CarbonylContact O-C 3.29Å; D114-G118 VanDerWaalsContact O-C 3.29Å; D114-G118 WeakPolarHBondContact O-CA 3.48Å; D114-G118 PolarHBondContact O-N 3.23Å; D114-K119 PolarHBondContact O-N 3.45Å; D114-K119 VanDerWaalsContact O-N 3.09Å; D114-D120 HydrophobicContact CB-CB 4.15Å; D114-D120 PolarHBondContact O-N 3.1Å
115L93.8Very high92.9Very high0 Ų044.1 Ų44.10%023%0.225CC..Hα-helixtrans-86.5-51.2174.1177.957.6000112.3Q53 L56 L62 I92 F110 V113 G118 L121 V124Q53-L115 HydrophobicContact CG-CD1 4.4Å; Q53-L115 WeakPolarHBondContact CG-O 3.35Å; Q53-L115 PolarHBondContact NE2-O 3.36Å; L56-L115 HydrophobicContact CB-CD1 3.88Å; L56-L115 HydrophobicContact CB-CD2 4.11Å; L62-L115 HydrophobicContact CD1-CD2 3.49Å; L62-L115 VanDerWaalsContact CD1-CD2 3.49Å; I92-L115 HydrophobicContact CD1-CD2 3.93Å; I92-L115 HydrophobicContact CD1-CG 4.28Å; I92-L115 HydrophobicContact CG1-CD2 4.14Å; I92-L115 HydrophobicContact CG2-CD2 4.39Å; F110-L115 HydrophobicContact CD2-CB 4.18Å; F110-L115 HydrophobicContact CE2-CB 3.76Å; F110-L115 HydrophobicContact CE2-CD2 4.07Å; F110-L115 HydrophobicContact CZ-CB 4.47Å; F110-L115 HydrophobicContact CZ-CD2 4.05Å; V113-L115 VanDerWaalsContact C-N 3.31Å; V113-L115 PolarHBondContact O-N 2.95Å; L115-G118 PolarHBondContact O-N 3.4Å; L115-L121 HydrophobicContact CD1-CD2 3.99Å; L115-V124 HydrophobicContact CB-CG2 3.88Å; L115-V124 HydrophobicContact CD1-CG1 4.41Å; L115-V124 HydrophobicContact CD1-CG2 4.28Å
116W93.6Very high93.1Very high47 Ų4744.4 Ų44.418%0.17822%0.22CC..Hα-helixtrans-70.6-40.5-170.4-167.988000112.8Q53 K57 A85 M89 I92 T112Q53-W116 PolarHBondContact NE2-O 2.96Å; K57-W116 VanDerWaalsContact CE-O 3.26Å; K57-W116 WeakPolarHBondContact CE-O 3.37Å; K57-W116 HydrophobicContact CG-CG 4.39Å; A85-W116 HydrophobicContact CB-CH2 3.87Å; A85-W116 HydrophobicContact CB-CZ2 3.3Å; M89-W116 HydrophobicContact CE-CD2 3.35Å; M89-W116 HydrophobicContact CE-CE3 3.09Å; M89-W116 HydrophobicContact CE-CG 4Å; M89-W116 HydrophobicContact CE-CH2 3.94Å; M89-W116 HydrophobicContact CE-CZ2 4.18Å; M89-W116 HydrophobicContact CE-CZ3 3.4Å; M89-W116 VanDerWaalsContact CE-CZ3 3.4Å; M89-W116 HydrophobicContact CG-CB 4.48Å; M89-W116 HydrophobicContact CG-CD2 4.25Å; M89-W116 HydrophobicContact CG-CG 4.04Å; I92-W116 HydrophobicContact CD1-CB 4.22Å; T112-W116 VanDerWaalsContact O-CB 3.26Å; T112-W116 WeakPolarHBondContact O-CB 3.4Å; T112-W116 PolarHBondContact O-N 3.29Å
117E90.5Very high93.3Very high77 Ų7737.8 Ų37.836%0.3619%0.192SC..SBendtrans-92.2-9172.5-57.6-171.1153.600112.7V113 K119V113-E117 WeakPolarHBondContact O-CA 3.39Å; V113-E117 WeakPolarHBondContact O-CB 3.34Å; V113-E117 PolarHBondContact O-N 3.47Å; E117-K119 HydrophobicContact CB-CG 4.31Å; E117-K119 WeakPolarHBondContact OE2-CE 3.42Å; E117-K119 IonicContact OE2-NZ 2.68Å; E117-K119 PolarHBondContact OE2-NZ 3.31Å
118G89.6Confident93.5Very high13 Ų1332.1 Ų32.113%0.13416%0.157CC..  trans74.325.3178.600000114.3D114 L115D114-G118 CarbonylContact O-C 3.29Å; D114-G118 VanDerWaalsContact O-C 3.29Å; D114-G118 WeakPolarHBondContact O-CA 3.48Å; D114-G118 PolarHBondContact O-N 3.23Å; L115-G118 PolarHBondContact O-N 3.4Å
119K88.9Confident93.7Very high69 Ų6931.5 Ų31.530%0.315%0.153SC..SBendtrans-67.9-40-176.8-72.2-177.7178.9143.10113.9Q15 V113 D114 E117Q15-K119 PolarHBondContact NE2-O 3.09Å; V113-K119 HydrophobicContact CG2-CD 4.37Å; D114-K119 PolarHBondContact O-N 3.45Å; D114-K119 VanDerWaalsContact O-N 3.09Å; E117-K119 HydrophobicContact CB-CG 4.31Å; E117-K119 WeakPolarHBondContact OE2-CE 3.42Å; E117-K119 IonicContact OE2-NZ 2.68Å; E117-K119 PolarHBondContact OE2-NZ 3.31Å
120D92.6Very high93.7Very high25 Ų2529.7 Ų29.713%0.13414%0.144CC..  trans-145.678.5-179.3-172.1-6.5000110.3I18 D114 A122 A123 V124 R126I18-D120 HydrophobicContact CG2-CB 3.86Å; I18-D120 VanDerWaalsContact CG2-CG 3.42Å; I18-D120 VanDerWaalsContact CG2-OD1 3.25Å; I18-D120 WeakPolarHBondContact CG2-OD1 3.4Å; D114-D120 HydrophobicContact CB-CB 4.15Å; D114-D120 PolarHBondContact O-N 3.1Å; D120-A122 PolarHBondContact O-N 3.48Å; D120-A122 WeakPolarHBondContact OD1-CA 3.49Å; D120-A122 WeakPolarHBondContact OD1-CB 3.29Å; D120-A122 PolarHBondContact OD1-N 2.92Å; D120-A122 VanDerWaalsContact OD1-N 3.13Å; D120-A123 HydrophobicContact CB-CB 4.11Å; D120-A123 WeakPolarHBondContact O-CB 3.39Å; D120-A123 PolarHBondContact O-N 2.98Å; D120-A123 VanDerWaalsContact O-N 3.16Å; D120-A123 PolarHBondContact OD1-N 3.02Å; D120-V124 PolarHBondContact O-N 2.53Å; D120-R126 IonicContact OD1-NH2 2.76Å; D120-R126 IonicContact OD2-NH2 3.1Å; D120-R126 PolarHBondContact OD2-NH2 2.9Å
121L93.2Very high93.6Very high0 Ų029.5 Ų29.50%014%0.143CC..Hα-helixtrans-69.8-18.9175.3-64.2173.4000112.6Y22 K49 Q53 L115 A123 V124 Q125Y22-L121 HydrophobicContact CD2-CB 3.93Å; Y22-L121 HydrophobicContact CE2-CB 3.77Å; K49-L121 HydrophobicContact CD-CD1 4.03Å; K49-L121 HydrophobicContact CG-CB 4.4Å; K49-L121 HydrophobicContact CG-CD1 3.33Å; K49-L121 HydrophobicContact CG-CG 4.46Å; Q53-L121 HydrophobicContact CB-CD1 3.79Å; Q53-L121 HydrophobicContact CB-CD2 4.1Å; Q53-L121 HydrophobicContact CG-CD1 4.24Å; Q53-L121 HydrophobicContact CG-CD2 4.02Å; L115-L121 HydrophobicContact CD1-CD2 3.99Å; L121-A123 VanDerWaalsContact C-N 3.29Å; L121-V124 HydrophobicContact CD2-CG2 4.15Å; L121-V124 WeakPolarHBondContact O-CB 3.29Å; L121-V124 PolarHBondContact O-N 3Å; L121-Q125 PolarHBondContact O-N 2.79Å
122A93.7Very high93.6Very high2 Ų223.2 Ų23.22%0.01711%0.114CC..Hα-helixtrans-68.3-32.617200000110.8K21 D120 V124 Q125 R126K21-A122 HydrophobicContact CB-CB 3.85Å; D120-A122 PolarHBondContact O-N 3.48Å; D120-A122 WeakPolarHBondContact OD1-CA 3.49Å; D120-A122 WeakPolarHBondContact OD1-CB 3.29Å; D120-A122 PolarHBondContact OD1-N 2.92Å; D120-A122 VanDerWaalsContact OD1-N 3.13Å; A122-V124 VanDerWaalsContact C-N 3.34Å; A122-Q125 PolarHBondContact O-N 2.94Å; A122-R126 VanDerWaalsContact C-NH1 3.25Å; A122-R126 WeakPolarHBondContact O-CG 3.34Å; A122-R126 PolarHBondContact O-N 3.13Å; A122-R126 PolarHBondContact O-NH1 3.42Å
123A94.3Very high93.5Very high8 Ų821.9 Ų21.97%0.06611%0.106CC..Hα-helixtrans-62.7-42170.100000111.6F110 D120 L121 Q125 R126 T127F110-A123 HydrophobicContact CB-CB 3.79Å; D120-A123 HydrophobicContact CB-CB 4.11Å; D120-A123 WeakPolarHBondContact O-CB 3.39Å; D120-A123 PolarHBondContact O-N 2.98Å; D120-A123 VanDerWaalsContact O-N 3.16Å; D120-A123 PolarHBondContact OD1-N 3.02Å; L121-A123 VanDerWaalsContact C-N 3.29Å; A123-Q125 PolarHBondContact O-N 3.43Å; A123-R126 VanDerWaalsContact CA-CZ 3.49Å; A123-R126 VanDerWaalsContact CA-NH2 3.26Å; A123-R126 PolarHBondContact O-N 3.25Å; A123-T127 PolarHBondContact O-N 3.47Å; A123-T127 PolarHBondContact O-OG1 3.12Å
124V95.6Very high93.5Very high0 Ų020.2 Ų20.20%010%0.096CC..Hα-helixtrans-60-46.5176.5-176.50000110.9F52 L56 F110 L115 D120 L121 A122 R126 T127 L128F52-V124 HydrophobicContact CE1-CG1 4.46Å; L56-V124 HydrophobicContact CD1-CG1 4.29Å; F110-V124 HydrophobicContact CB-CG2 4.17Å; F110-V124 HydrophobicContact CD1-CB 4.25Å; F110-V124 HydrophobicContact CD1-CG1 4.29Å; F110-V124 HydrophobicContact CD1-CG2 4.06Å; F110-V124 HydrophobicContact CD2-CG2 3.97Å; F110-V124 HydrophobicContact CE1-CG1 4.16Å; F110-V124 HydrophobicContact CE1-CG2 4.46Å; F110-V124 HydrophobicContact CE2-CG2 4.4Å; F110-V124 HydrophobicContact CG-CB 4.47Å; F110-V124 HydrophobicContact CG-CG2 3.83Å; L115-V124 HydrophobicContact CB-CG2 3.88Å; L115-V124 HydrophobicContact CD1-CG1 4.41Å; L115-V124 HydrophobicContact CD1-CG2 4.28Å; D120-V124 PolarHBondContact O-N 2.53Å; L121-V124 HydrophobicContact CD2-CG2 4.15Å; L121-V124 WeakPolarHBondContact O-CB 3.29Å; L121-V124 PolarHBondContact O-N 3Å; A122-V124 VanDerWaalsContact C-N 3.34Å; V124-R126 PolarHBondContact O-N 3.45Å; V124-T127 PolarHBondContact O-N 2.93Å; V124-L128 HydrophobicContact CG1-CD1 4.09Å; V124-L128 WeakPolarHBondContact O-CG 3.35Å; V124-L128 PolarHBondContact O-N 3.4Å
125Q94.9Very high93.4Very high7 Ų719.3 Ų19.33%0.0339%0.091CC..Hα-helixtrans-57.9-46.5174.6-70-174.8-46.200111.7Y22 D23 V26 L30 L121 A122 A123 T127 L128 M129Y22-Q125 HydrophobicContact CD2-CG 4.29Å; Y22-Q125 VanDerWaalsContact CD2-OE1 3.29Å; Y22-Q125 HydrophobicContact CE2-CG 3.86Å; D23-Q125 VanDerWaalsContact N-OE1 3.13Å; D23-Q125 PolarHBondContact O-NE2 3.03Å; V26-Q125 HydrophobicContact CG1-CB 4.2Å; V26-Q125 HydrophobicContact CG1-CG 4.47Å; L30-Q125 HydrophobicContact CD1-CB 4.06Å; L30-Q125 HydrophobicContact CD1-CG 4.04Å; L121-Q125 PolarHBondContact O-N 2.79Å; A122-Q125 PolarHBondContact O-N 2.94Å; A123-Q125 PolarHBondContact O-N 3.43Å; Q125-T127 PolarHBondContact O-N 2.84Å; Q125-L128 PolarHBondContact O-N 3.42Å; Q125-M129 WeakPolarHBondContact O-CB 3.41Å; Q125-M129 VanDerWaalsContact O-CG 3.27Å; Q125-M129 WeakPolarHBondContact O-CG 3.17Å; Q125-M129 PolarHBondContact O-N 3.14Å
126R94.8Very high93.3Very high99 Ų9919.7 Ų19.737%0.3749%0.094SC..Hα-helixtrans-59.7-44.4177.9-73.1-173.4-58.7-86.85.1112.4D120 A122 A123 V124 M129 S130D120-R126 IonicContact OD1-NH2 2.76Å; D120-R126 IonicContact OD2-NH2 3.1Å; D120-R126 PolarHBondContact OD2-NH2 2.9Å; A122-R126 VanDerWaalsContact C-NH1 3.25Å; A122-R126 WeakPolarHBondContact O-CG 3.34Å; A122-R126 PolarHBondContact O-N 3.13Å; A122-R126 PolarHBondContact O-NH1 3.42Å; A123-R126 VanDerWaalsContact CA-CZ 3.49Å; A123-R126 VanDerWaalsContact CA-NH2 3.26Å; A123-R126 PolarHBondContact O-N 3.25Å; V124-R126 PolarHBondContact O-N 3.45Å; R126-M129 PolarHBondContact O-N 3.08Å; R126-S130 VanDerWaalsContact O-CB 3.29Å; R126-S130 WeakPolarHBondContact O-CB 3.46Å; R126-S130 PolarHBondContact O-N 3.22Å
127T96.2Very high93Very high0 Ų018.4 Ų18.40%09%0.091CC..Hα-helixtrans-62.5-45.1178.2-51.40000111.5V104 D108 M109 F110 A123 V124 Q125 S130 L131V104-T127 HydrophobicContact CG1-CG2 4.22Å; D108-T127 VanDerWaalsContact O-CA 3.29Å; D108-T127 WeakPolarHBondContact O-CA 3.3Å; D108-T127 WeakPolarHBondContact O-CB 3.43Å; D108-T127 PolarHBondContact O-N 3.07Å; D108-T127 PolarHBondContact O-OG1 3.31Å; M109-T127 WeakPolarHBondContact CA-OG1 3.44Å; F110-T127 HydrophobicContact CD1-CG2 3.92Å; F110-T127 VanDerWaalsContact CD1-OG1 3.3Å; F110-T127 WeakPolarHBondContact CD1-OG1 3.49Å; F110-T127 HydrophobicContact CE1-CG2 4.24Å; F110-T127 PolarHBondContact N-OG1 3.06Å; A123-T127 PolarHBondContact O-N 3.47Å; A123-T127 PolarHBondContact O-OG1 3.12Å; V124-T127 PolarHBondContact O-N 2.93Å; Q125-T127 PolarHBondContact O-N 2.84Å; T127-S130 PolarHBondContact O-N 2.9Å; T127-L131 WeakPolarHBondContact O-CB 2.98Å; T127-L131 PolarHBondContact O-N 3.38Å
128L95.9Very high92.8Very high0 Ų018.9 Ų18.90%09%0.092CC..Hα-helixtrans-67.6-40.5-179.8-68.3174.2000112.2L30 I34 F52 L56 L62 L65 F95 V124 Q125 S130 L131 G132L30-L128 HydrophobicContact CD1-CB 3.98Å; L30-L128 HydrophobicContact CD1-CD1 4.18Å; L30-L128 HydrophobicContact CD2-CB 3.68Å; L30-L128 HydrophobicContact CG-CB 4.46Å; I34-L128 HydrophobicContact CD1-CD1 4.37Å; F52-L128 HydrophobicContact CZ-CD1 4.03Å; L56-L128 HydrophobicContact CD1-CD1 4.07Å; L62-L128 HydrophobicContact CD2-CD2 3.87Å; L65-L128 HydrophobicContact CD2-CD2 3.76Å; F95-L128 HydrophobicContact CZ-CD2 4.02Å; V124-L128 HydrophobicContact CG1-CD1 4.09Å; V124-L128 WeakPolarHBondContact O-CG 3.35Å; V124-L128 PolarHBondContact O-N 3.4Å; Q125-L128 PolarHBondContact O-N 3.42Å; L128-S130 VanDerWaalsContact C-N 3.35Å; L128-L131 WeakPolarHBondContact O-CB 3.21Å; L128-L131 PolarHBondContact O-N 2.81Å; L128-G132 PolarHBondContact O-N 3.03Å
129M95.1Very high92.2Very high38 Ų3824.7 Ų24.719%0.18712%0.12CC..Hα-helixtrans-60.6-45.3172.1-72-61.4-71.700111.2V26 L29 L30 Q125 R126 L131 G132 S133 F150V26-M129 HydrophobicContact CG1-CG 3.72Å; V26-M129 HydrophobicContact CG1-SD 3.85Å; L29-M129 HydrophobicContact CD2-CE 4.44Å; L29-M129 HydrophobicContact CD2-SD 3.91Å; L30-M129 HydrophobicContact CD1-CG 4.46Å; L30-M129 HydrophobicContact CD2-CG 4.17Å; L30-M129 HydrophobicContact CD2-SD 3.72Å; L30-M129 HydrophobicContact CG-SD 4.11Å; Q125-M129 WeakPolarHBondContact O-CB 3.41Å; Q125-M129 VanDerWaalsContact O-CG 3.27Å; Q125-M129 WeakPolarHBondContact O-CG 3.17Å; Q125-M129 PolarHBondContact O-N 3.14Å; R126-M129 PolarHBondContact O-N 3.08Å; M129-L131 VanDerWaalsContact C-N 3.31Å; M129-L131 PolarHBondContact O-N 3.3Å; M129-G132 PolarHBondContact O-N 3.03Å; M129-S133 PolarHBondContact O-N 3.3Å; M129-S133 PolarHBondContact O-OG 2.79Å; M129-F150 HydrophobicContact CE-CD1 4.19Å; M129-F150 HydrophobicContact CE-CE1 4.31Å; M129-F150 HydrophobicContact SD-CD1 4.15Å; M129-F150 HydrophobicContact SD-CE1 3.7Å
130S94.4Very high91.9Very high6 Ų624 Ų244%0.04212%0.119CC..Hα-helixtrans-62.2-39.3177.1-161.50000111.4D108 R126 T127 L128 V134 K153D108-S130 WeakPolarHBondContact OD2-CB 2.7Å; D108-S130 PolarHBondContact OD2-OG 3.25Å; R126-S130 VanDerWaalsContact O-CB 3.29Å; R126-S130 WeakPolarHBondContact O-CB 3.46Å; R126-S130 PolarHBondContact O-N 3.22Å; T127-S130 PolarHBondContact O-N 2.9Å; L128-S130 VanDerWaalsContact C-N 3.35Å; S130-V134 VanDerWaalsContact O-CG2 3.24Å; S130-V134 WeakPolarHBondContact O-CG2 3.45Å; S130-V134 PolarHBondContact O-N 3.16Å; S130-K153 PolarHBondContact OG-NZ 3.21Å
131L94.6Very high91.3Very high0 Ų025.9 Ų25.90%015%0.145CC..Hα-helixtrans-63.7-47.5174.8-179.264.9000111.9W33 L65 I66 L69 F95 F102 V104 T127 L128 M129 V134 A135W33-L131 HydrophobicContact CH2-CD2 4.28Å; W33-L131 HydrophobicContact CH2-CG 4.24Å; L65-L131 HydrophobicContact CD2-CD2 4.16Å; I66-L131 HydrophobicContact CD1-CD1 3.91Å; I66-L131 HydrophobicContact CD1-CD2 4.33Å; L69-L131 HydrophobicContact CD1-CD1 4.14Å; L69-L131 HydrophobicContact CD1-CD2 4.14Å; L69-L131 HydrophobicContact CD1-CG 4.03Å; F95-L131 HydrophobicContact CE2-CD2 3.96Å; F95-L131 HydrophobicContact CZ-CD2 4.01Å; F102-L131 HydrophobicContact CB-CD1 4.39Å; F102-L131 HydrophobicContact CD1-CD1 3.46Å; F102-L131 VanDerWaalsContact CD1-CD1 3.46Å; F102-L131 HydrophobicContact CE1-CD1 4Å; F102-L131 HydrophobicContact CG-CD1 4.14Å; V104-L131 HydrophobicContact CG2-CB 3.87Å; V104-L131 HydrophobicContact CG2-CD1 3.75Å; V104-L131 HydrophobicContact CG2-CG 4.43Å; T127-L131 WeakPolarHBondContact O-CB 2.98Å; T127-L131 PolarHBondContact O-N 3.38Å; L128-L131 WeakPolarHBondContact O-CB 3.21Å; L128-L131 PolarHBondContact O-N 2.81Å; M129-L131 VanDerWaalsContact C-N 3.31Å; M129-L131 PolarHBondContact O-N 3.3Å; L131-V134 PolarHBondContact O-N 2.6Å; L131-A135 WeakPolarHBondContact O-CB 3.34Å; L131-A135 PolarHBondContact O-N 3.01Å
132G93.6Very high91Very high0 Ų026.7 Ų26.70%015%0.149CC..Hα-helixtrans-60.3-45.2176.700000112.3L128 M129 V134 A135 V136L128-G132 PolarHBondContact O-N 3.03Å; M129-G132 PolarHBondContact O-N 3.03Å; G132-V134 VanDerWaalsContact C-N 3.34Å; G132-V134 PolarHBondContact O-N 3.2Å; G132-A135 WeakPolarHBondContact O-CB 3.47Å; G132-A135 PolarHBondContact O-N 3.22Å; G132-A135 VanDerWaalsContact O-N 3.15Å; G132-V136 WeakPolarHBondContact O-CG2 3.36Å; G132-V136 PolarHBondContact O-N 3.45Å
133S93.1Very high90.7Very high0 Ų028.3 Ų28.30%016%0.155CC..Hα-helixtrans-58.5-42.8173.4-69.70000112.4M129 T137 F151M129-S133 PolarHBondContact O-N 3.3Å; M129-S133 PolarHBondContact O-OG 2.79Å; S133-T137 WeakPolarHBondContact O-CB 3.45Å; S133-T137 PolarHBondContact O-N 3.39Å; S133-T137 VanDerWaalsContact O-N 3.08Å; S133-T137 PolarHBondContact O-OG1 3Å; S133-F151 WeakPolarHBondContact CA-O 3.34Å; S133-F151 WeakPolarHBondContact CB-O 3.28Å; S133-F151 WeakPolarHBondContact OG-CE1 3.41Å; S133-F151 WeakPolarHBondContact OG-CZ 3.23Å; S133-F151 PolarHBondContact OG-O 3.31Å; S133-F151 VanDerWaalsContact OG-O 3.06Å
134V92.1Very high90.4Very high13 Ų1335.4 Ų35.48%0.07918%0.18CC..Hα-helixtrans-64.2-41.9176.2173.30000110.7F102 S130 L131 G132 T137 K138 K153F102-V134 HydrophobicContact CD1-CB 4.34Å; F102-V134 HydrophobicContact CD1-CG1 3.69Å; F102-V134 HydrophobicContact CE1-CB 4.27Å; F102-V134 HydrophobicContact CE1-CG1 3.71Å; F102-V134 WeakPolarHBondContact O-CG1 3.36Å; S130-V134 VanDerWaalsContact O-CG2 3.24Å; S130-V134 WeakPolarHBondContact O-CG2 3.45Å; S130-V134 PolarHBondContact O-N 3.16Å; L131-V134 PolarHBondContact O-N 2.6Å; G132-V134 VanDerWaalsContact C-N 3.34Å; G132-V134 PolarHBondContact O-N 3.2Å; V134-T137 PolarHBondContact O-N 3.41Å; V134-K138 HydrophobicContact CG1-CD 4.42Å; V134-K138 PolarHBondContact O-N 3.49Å; V134-K153 HydrophobicContact CG2-CD 3.88Å
135A91.1Very high89.9Confident1 Ų137.1 Ų37.11%0.00820%0.198CC..Hα-helixtrans-62-47.7178.900000112.2L69 F102 L131 G132 T137 K138 Y143L69-A135 HydrophobicContact CD1-CB 4.34Å; L69-A135 HydrophobicContact CD2-CB 3.81Å; F102-A135 HydrophobicContact CE1-CB 4.03Å; F102-A135 HydrophobicContact CZ-CB 4.2Å; L131-A135 WeakPolarHBondContact O-CB 3.34Å; L131-A135 PolarHBondContact O-N 3.01Å; G132-A135 WeakPolarHBondContact O-CB 3.47Å; G132-A135 PolarHBondContact O-N 3.22Å; G132-A135 VanDerWaalsContact O-N 3.15Å; A135-T137 PolarHBondContact O-N 3Å; A135-K138 PolarHBondContact O-N 3.2Å; A135-Y143 HydrophobicContact CB-CD2 3.86Å
136V91.6Very high89.5Confident9 Ų939.8 Ų39.86%0.05521%0.212CC..Hα-helixtrans-64.3-28.9176.41770000112.1G132 Y143 P147 F150 K152G132-V136 WeakPolarHBondContact O-CG2 3.36Å; G132-V136 PolarHBondContact O-N 3.45Å; V136-Y143 HydrophobicContact CG2-CD1 4.06Å; V136-Y143 HydrophobicContact CG2-CD2 3.67Å; V136-Y143 HydrophobicContact CG2-CE1 3.82Å; V136-Y143 HydrophobicContact CG2-CE2 3.37Å; V136-Y143 HydrophobicContact CG2-CG 4Å; V136-Y143 VanDerWaalsContact CG2-CZ 3.48Å; V136-P147 HydrophobicContact CG1-CB 4.11Å; V136-F150 HydrophobicContact CG2-CB 4.03Å; V136-F150 HydrophobicContact CG2-CD2 4.06Å; V136-F150 HydrophobicContact CG2-CG 4.44Å; V136-K152 HydrophobicContact CG1-CG 3.86Å
137T88.1Confident89Confident20 Ų2038.4 Ų38.412%0.12322%0.216CC..Hα-helixtrans-76.3-32.4179.7-55.90000112.8S133 V134 A135 D139 K152 K153 Q155S133-T137 WeakPolarHBondContact O-CB 3.45Å; S133-T137 PolarHBondContact O-N 3.39Å; S133-T137 VanDerWaalsContact O-N 3.08Å; S133-T137 PolarHBondContact O-OG1 3Å; V134-T137 PolarHBondContact O-N 3.41Å; A135-T137 PolarHBondContact O-N 3Å; T137-D139 VanDerWaalsContact C-N 3.34Å; T137-K152 WeakPolarHBondContact OG1-CA 3.18Å; T137-K153 HydrophobicContact CG2-CB 4.26Å; T137-K153 VanDerWaalsContact CG2-O 3.26Å; T137-K153 WeakPolarHBondContact CG2-O 2.7Å; T137-K153 PolarHBondContact OG1-N 2.92Å; T137-Q155 HydrophobicContact CG2-CG 3.6Å; T137-Q155 PolarHBondContact O-NE2 3.27Å; T137-Q155 VanDerWaalsContact O-NE2 3.12Å
138K84.9Confident88.6Confident87 Ų8745.1 Ų45.138%0.37825%0.252SS..Hα-helixtrans-71-27.5-178.4-79.8-176.9178.3177.90113.8F102 V134 A135 D140F102-K138 VanDerWaalsContact CD2-NZ 3.3Å; F102-K138 HydrophobicContact CE1-CD 4.21Å; F102-K138 HydrophobicContact CE2-CD 4.2Å; F102-K138 HydrophobicContact CZ-CD 3.86Å; F102-K138 WeakPolarHBondContact O-CE 3.43Å; F102-K138 PolarHBondContact O-NZ 2.95Å; V134-K138 HydrophobicContact CG1-CD 4.42Å; V134-K138 PolarHBondContact O-N 3.49Å; A135-K138 PolarHBondContact O-N 3.2Å; K138-D140 PolarHBondContact O-N 3.46Å; K138-D140 VanDerWaalsContact O-N 3.13Å
139D78.6Confident88.3Confident134 Ų13448.1 Ų48.172%0.71726%0.263SS*.  trans49.837.4177.8-157.733.4000113.7T137 G141T137-D139 VanDerWaalsContact C-N 3.34Å; D139-G141 VanDerWaalsContact C-N 3.25Å; D139-G141 PolarHBondContact O-N 2.82Å
140D81.6Confident88.1Confident55 Ų5546.7 Ų46.729%0.29426%0.256SS..SBendtrans-81.8-3-178.154.413.1000113.6K71 K138 N142K71-D140 WeakPolarHBondContact CE-O 3.26Å; K71-D140 PolarHBondContact NZ-O 3.2Å; K138-D140 PolarHBondContact O-N 3.46Å; K138-D140 VanDerWaalsContact O-N 3.13Å; D140-N142 VanDerWaalsContact C-N 3.33Å; D140-N142 WeakPolarHBondContact OD1-CB 3.45Å; D140-N142 PolarHBondContact OD1-N 2.71Å
141G80.9Confident87.6Confident65 Ų6552.8 Ų52.867%0.6728%0.282SS*.SBendtrans78.69.7-176.400000114.5D139D139-G141 VanDerWaalsContact C-N 3.25Å; D139-G141 PolarHBondContact O-N 2.82Å
142N85.3Confident87.1Confident16 Ų1659.4 Ų59.49%0.08631%0.311CS..  trans-91.2-24.1176.8-77.153.9000113.5Q37 L69 K71 D140Q37-N142 PolarHBondContact NE2-O 3.22Å; L69-N142 PolarHBondContact O-ND2 3.43Å; K71-N142 WeakPolarHBondContact CD-OD1 3.43Å; K71-N142 WeakPolarHBondContact CE-OD1 3.39Å; K71-N142 WeakPolarHBondContact CG-ND2 3.24Å; K71-N142 WeakPolarHBondContact CG-OD1 3.48Å; K71-N142 PolarHBondContact N-ND2 3.33Å; K71-N142 VanDerWaalsContact N-ND2 3.14Å; D140-N142 VanDerWaalsContact C-N 3.33Å; D140-N142 WeakPolarHBondContact OD1-CB 3.45Å; D140-N142 PolarHBondContact OD1-N 2.71Å
143Y88.4Confident86.4Confident36 Ų3661.7 Ų61.714%0.14132%0.321CS..  trans-64.6134.8176-178.9-91.1000110.6W33 A135 V136 D146 P147 F150W33-Y143 AromaticContact CD1-CE2 3.84Å; W33-Y143 AromaticContact CE2-CE2 3.98Å; W33-Y143 HydrophobicContact CZ2-CE2 4.43Å; W33-Y143 AromaticContact NE1-CD2 3.9Å; W33-Y143 AromaticContact NE1-CE2 3.18Å; W33-Y143 AromaticContact NE1-CZ 3.82Å; A135-Y143 HydrophobicContact CB-CD2 3.86Å; V136-Y143 HydrophobicContact CG2-CD1 4.06Å; V136-Y143 HydrophobicContact CG2-CD2 3.67Å; V136-Y143 HydrophobicContact CG2-CE1 3.82Å; V136-Y143 HydrophobicContact CG2-CE2 3.37Å; V136-Y143 HydrophobicContact CG2-CG 4Å; V136-Y143 VanDerWaalsContact CG2-CZ 3.48Å; Y143-D146 PolarHBondContact OH-O 3.1Å; Y143-D146 VanDerWaalsContact OH-O 3.07Å; Y143-P147 HydrophobicContact CE1-CG 4.36Å; Y143-F150 AromaticContact CE2-CD2 3.94Å; Y143-F150 HydrophobicContact CE2-CD2 3.94Å; Y143-F150 HydrophobicContact CE2-CE2 4.01Å; Y143-F150 AromaticContact CZ-CD2 3.96Å; Y143-F150 VanDerWaalsContact OH-CD2 3.25Å; Y143-F150 WeakPolarHBondContact OH-CD2 3.37Å; Y143-F150 VanDerWaalsContact OH-CE2 3.3Å; Y143-F150 WeakPolarHBondContact OH-CE2 3.4Å
144R86.8Confident85.4Confident157 Ų15766.8 Ų66.859%0.59236%0.363SS*.  trans-131140.2177-58.1175.2179.3-171.3-2108.6Q37Q37-R144 PolarHBondContact OE1-O 2.91Å
145G86.8Confident84.2Confident36 Ų3672.9 Ų72.937%0.37139%0.39SS..SBendtrans119-175.6-173.600000111.6P147G145-P147 WeakPolarHBondContact O-CD 3.36Å
146D86.6Confident83.3Confident64 Ų6479.4 Ų79.434%0.34242%0.421SS..  trans-79.9117.4176.3-172.1-16.7000109.9Y143 N148 W149Y143-D146 PolarHBondContact OH-O 3.1Å; Y143-D146 VanDerWaalsContact OH-O 3.07Å; D146-N148 PolarHBondContact O-N 2.67Å; D146-N148 VanDerWaalsContact OD1-CB 3.28Å; D146-N148 WeakPolarHBondContact OD1-CB 3.44Å; D146-N148 VanDerWaalsContact OD1-CG 3.3Å; D146-N148 PolarHBondContact OD1-N 3.49Å; D146-N148 PolarHBondContact OD1-ND2 2.94Å; D146-W149 HydrophobicContact CB-CD2 3.83Å; D146-W149 HydrophobicContact CB-CE3 4.3Å; D146-W149 HydrophobicContact CB-CG 4.17Å; D146-W149 HydrophobicContact CB-CZ2 4.03Å; D146-W149 WeakPolarHBondContact O-CB 3.36Å; D146-W149 PolarHBondContact O-N 3.27Å; D146-W149 VanDerWaalsContact O-N 3.08Å
147P84.4Confident82.4Confident69 Ų6984.7 Ų84.745%0.44845%0.449SS..G310 helixtrans-57.4-21.7176.7-2435.3000113.9V136 Y143 G145 W149 F150V136-P147 HydrophobicContact CG1-CB 4.11Å; Y143-P147 HydrophobicContact CE1-CG 4.36Å; G145-P147 WeakPolarHBondContact O-CD 3.36Å; P147-W149 PolarHBondContact O-N 2.83Å; P147-F150 PolarHBondContact O-N 3.31Å
148N87.6Confident81.6Confident142 Ų14292.6 Ų92.676%0.75948%0.476SS*.G310 helixtrans-70.2-15.1178.9-61.3-43.2000113.4D146 F150D146-N148 PolarHBondContact O-N 2.67Å; D146-N148 VanDerWaalsContact OD1-CB 3.28Å; D146-N148 WeakPolarHBondContact OD1-CB 3.44Å; D146-N148 VanDerWaalsContact OD1-CG 3.3Å; D146-N148 PolarHBondContact OD1-N 3.49Å; D146-N148 PolarHBondContact OD1-ND2 2.94Å; N148-F150 PolarHBondContact O-N 2.89Å
149W88.5Confident81.1Confident62 Ų6297.1 Ų97.124%0.23549%0.491CS..G310 helixtrans-66.2-22.5174.6-66.2-22.3000113L29 Q32 W33 A36 D146 P147L29-W149 HydrophobicContact CD1-CB 4.03Å; L29-W149 HydrophobicContact CD1-CG 4.26Å; L29-W149 HydrophobicContact CD2-CB 4.03Å; L29-W149 HydrophobicContact CG-CB 4.08Å; L29-W149 HydrophobicContact CG-CG 4.15Å; Q32-W149 HydrophobicContact CB-CH2 4.3Å; Q32-W149 HydrophobicContact CB-CZ2 4.4Å; W33-W149 HydrophobicContact CB-CE3 3.86Å; W33-W149 HydrophobicContact CB-CZ3 4.02Å; W33-W149 HydrophobicContact CG-CE3 4.37Å; A36-W149 HydrophobicContact CB-CH2 4.3Å; A36-W149 HydrophobicContact CB-CZ3 4.14Å; D146-W149 HydrophobicContact CB-CD2 3.83Å; D146-W149 HydrophobicContact CB-CE3 4.3Å; D146-W149 HydrophobicContact CB-CG 4.17Å; D146-W149 HydrophobicContact CB-CZ2 4.03Å; D146-W149 WeakPolarHBondContact O-CB 3.36Å; D146-W149 PolarHBondContact O-N 3.27Å; D146-W149 VanDerWaalsContact O-N 3.08Å; P147-W149 PolarHBondContact O-N 2.83Å
150F90.9Very high81.1Confident9 Ų999.7 Ų99.74%0.03950%0.499CS..SBendtrans-130.1144.5-178.8-53.8-82.1000111.2L29 L30 W33 M129 V136 Y143 P147 N148L29-F150 HydrophobicContact CD2-CE1 4.1Å; L29-F150 HydrophobicContact CD2-CZ 3.96Å; L30-F150 HydrophobicContact CD2-CE1 4.3Å; W33-F150 HydrophobicContact CB-CE2 4.04Å; W33-F150 HydrophobicContact CB-CZ 3.89Å; W33-F150 AromaticContact CD1-CE2 3.62Å; W33-F150 HydrophobicContact CD2-CE1 4.43Å; W33-F150 AromaticContact CD2-CE2 3.64Å; W33-F150 HydrophobicContact CD2-CE2 3.64Å; W33-F150 AromaticContact CD2-CZ 3.34Å; W33-F150 HydrophobicContact CD2-CZ 3.34Å; W33-F150 AromaticContact CE2-CE2 3.86Å; W33-F150 AromaticContact CE2-CZ 3.91Å; W33-F150 HydrophobicContact CE3-CE1 4.28Å; W33-F150 HydrophobicContact CE3-CE2 4.29Å; W33-F150 AromaticContact CE3-CZ 3.53Å; W33-F150 HydrophobicContact CE3-CZ 3.53Å; W33-F150 AromaticContact CG-CE2 3.47Å; W33-F150 HydrophobicContact CG-CE2 3.47Å; W33-F150 VanDerWaalsContact CG-CE2 3.47Å; W33-F150 AromaticContact CG-CZ 3.49Å; W33-F150 HydrophobicContact CG-CZ 3.49Å; W33-F150 VanDerWaalsContact CG-CZ 3.49Å; W33-F150 HydrophobicContact CZ3-CZ 4.19Å; W33-F150 AromaticContact NE1-CE2 3.86Å; M129-F150 HydrophobicContact CE-CD1 4.19Å; M129-F150 HydrophobicContact CE-CE1 4.31Å; M129-F150 HydrophobicContact SD-CD1 4.15Å; M129-F150 HydrophobicContact SD-CE1 3.7Å; V136-F150 HydrophobicContact CG2-CB 4.03Å; V136-F150 HydrophobicContact CG2-CD2 4.06Å; V136-F150 HydrophobicContact CG2-CG 4.44Å; Y143-F150 AromaticContact CE2-CD2 3.94Å; Y143-F150 HydrophobicContact CE2-CD2 3.94Å; Y143-F150 HydrophobicContact CE2-CE2 4.01Å; Y143-F150 AromaticContact CZ-CD2 3.96Å; Y143-F150 VanDerWaalsContact OH-CD2 3.25Å; Y143-F150 WeakPolarHBondContact OH-CD2 3.37Å; Y143-F150 VanDerWaalsContact OH-CE2 3.3Å; Y143-F150 WeakPolarHBondContact OH-CE2 3.4Å; P147-F150 PolarHBondContact O-N 3.31Å; N148-F150 PolarHBondContact O-N 2.89Å
151F85.1Confident81.1Confident133 Ų133103 Ų10358%0.58351%0.511SS*.PPolyproline II helixtrans-80.4141.7171.559.1-87.9000110.4S133 K153S133-F151 WeakPolarHBondContact CA-O 3.34Å; S133-F151 WeakPolarHBondContact CB-O 3.28Å; S133-F151 WeakPolarHBondContact OG-CE1 3.41Å; S133-F151 WeakPolarHBondContact OG-CZ 3.23Å; S133-F151 PolarHBondContact OG-O 3.31Å; S133-F151 VanDerWaalsContact OG-O 3.06Å; F151-K153 HydrophobicContact CE2-CG 4.23Å; F151-K153 PolarHBondContact O-N 3.13Å
152K82.8Confident81.3Confident140 Ų140103.5 Ų103.561%0.60950%0.501SS*.PPolyproline II helixtrans-70.4128.4170.4-71.4-175.6177.5-170.30109.8V136 T137V136-K152 HydrophobicContact CG1-CG 3.86Å; T137-K152 WeakPolarHBondContact OG1-CA 3.18Å
153K79.9Confident81.2Confident48 Ų48108.7 Ų108.721%0.20953%0.529CS..PPolyproline II helixtrans-72.9146.9171.6-65.5-164.1178.7-175.20109.5S130 V134 T137 F151 Q155S130-K153 PolarHBondContact OG-NZ 3.21Å; V134-K153 HydrophobicContact CG2-CD 3.88Å; T137-K153 HydrophobicContact CG2-CB 4.26Å; T137-K153 VanDerWaalsContact CG2-O 3.26Å; T137-K153 WeakPolarHBondContact CG2-O 2.7Å; T137-K153 PolarHBondContact OG1-N 2.92Å; F151-K153 HydrophobicContact CE2-CG 4.23Å; F151-K153 PolarHBondContact O-N 3.13Å; K153-Q155 PolarHBondContact O-N 2.95Å
154A71.4Confident80.9Confident107 Ų107112.9 Ų112.988%0.88455%0.553SS**PPolyproline II helixtrans-65.9127.1173.600000109.9
155Q66.5Low80.7Confident140 Ų140110.4 Ų110.465%0.65455%0.549SS*.PPolyproline II helixtrans-93.8138.4173.1-69.6-177.9-32.300110T137 K153 N157T137-Q155 HydrophobicContact CG2-CG 3.6Å; T137-Q155 PolarHBondContact O-NE2 3.27Å; T137-Q155 VanDerWaalsContact O-NE2 3.12Å; K153-Q155 PolarHBondContact O-N 2.95Å; Q155-N157 PolarHBondContact O-N 3.22Å
156E72.1Confident80.5Confident139 Ų139113 Ų11365%0.6555%0.554SS**PPolyproline II helixtrans-65.7116.3174.8-171.1-173.8177.100109.4R158E156-R158 HydrophobicContact CG-CG 3.89Å; E156-R158 PolarHBondContact O-N 3.27Å; E156-R158 VanDerWaalsContact OE1-CG 3.25Å; E156-R158 WeakPolarHBondContact OE1-CG 3.25Å; E156-R158 IonicContact OE1-CZ 3.99Å; E156-R158 IonicContact OE1-NE 2.86Å; E156-R158 PolarHBondContact OE1-NE 3.1Å; E156-R158 IonicContact OE1-NH2 3.43Å; E156-R158 PolarHBondContact OE1-NH2 2.95Å; E156-R158 IonicContact OE2-CZ 3.32Å; E156-R158 IonicContact OE2-NE 2.64Å; E156-R158 PolarHBondContact OE2-NE 2.76Å; E156-R158 VanDerWaalsContact OE2-NE 3.1Å; E156-R158 IonicContact OE2-NH2 3.43Å; E156-R158 PolarHBondContact OE2-NH2 2.86Å
157N72.3Confident80.4Confident120 Ų120116.6 Ų116.664%0.64257%0.566SS**  trans-8982.5172.3-174.10.8000109.4Q155 R159Q155-N157 PolarHBondContact O-N 3.22Å; N157-R159 PolarHBondContact O-N 3.43Å
158R72.6Confident80.2Confident186 Ų186116.2 Ų116.270%0.70257%0.569SS**  trans-71.4110.7171.4-72-166.9-178.6169.513109.2E156E156-R158 HydrophobicContact CG-CG 3.89Å; E156-R158 PolarHBondContact O-N 3.27Å; E156-R158 VanDerWaalsContact OE1-CG 3.25Å; E156-R158 WeakPolarHBondContact OE1-CG 3.25Å; E156-R158 IonicContact OE1-CZ 3.99Å; E156-R158 IonicContact OE1-NE 2.86Å; E156-R158 PolarHBondContact OE1-NE 3.1Å; E156-R158 IonicContact OE1-NH2 3.43Å; E156-R158 PolarHBondContact OE1-NH2 2.95Å; E156-R158 IonicContact OE2-CZ 3.32Å; E156-R158 IonicContact OE2-NE 2.64Å; E156-R158 PolarHBondContact OE2-NE 2.76Å; E156-R158 VanDerWaalsContact OE2-NE 3.1Å; E156-R158 IonicContact OE2-NH2 3.43Å; E156-R158 PolarHBondContact OE2-NH2 2.86Å
159R74.4Confident79.8Confident181 Ų181111.4 Ų111.468%0.68355%0.553SS**  trans-88.4111.6172.9-63.3179.9-176.8179.7-0.2108.4N157 F161N157-R159 PolarHBondContact O-N 3.43Å; R159-F161 HydrophobicContact CB-CE2 4.15Å; R159-F161 HydrophobicContact CB-CZ 4.18Å
160E77.8Confident79.4Confident189 Ų189117.2 Ų117.288%0.88358%0.58SS**PPolyproline II helixtrans-84116.1168.7-64.5-171.411200108.2
161F82.4Confident78.6Confident123 Ų123119.7 Ų119.754%0.53961%0.608SS.*PPolyproline II helixtrans-90138.6171.9-62.2-79.5000108.6R159 Q165 L166R159-F161 HydrophobicContact CB-CE2 4.15Å; R159-F161 HydrophobicContact CB-CZ 4.18Å; F161-Q165 HydrophobicContact CB-CB 4.36Å; F161-L166 HydrophobicContact CB-CD2 3.81Å; F161-L166 HydrophobicContact CB-CG 3.84Å; F161-L166 HydrophobicContact CD2-CD2 4.43Å; F161-L166 HydrophobicContact CG-CD2 4.36Å
162T85Confident77.9Confident76 Ų76118.5 Ų118.547%0.46661%0.611SS.*PPolyproline II helixtrans-67.2156.2174.364.90000110.7D164 Q165 L166T162-D164 PolarHBondContact O-N 3.48Å; T162-Q165 VanDerWaalsContact N-OE1 3.14Å; T162-Q165 WeakPolarHBondContact O-CB 3.41Å; T162-Q165 PolarHBondContact O-N 3.48Å; T162-Q165 WeakPolarHBondContact OG1-CB 3.44Å; T162-Q165 VanDerWaalsContact OG1-CG 3.26Å; T162-Q165 WeakPolarHBondContact OG1-CG 3.49Å; T162-Q165 PolarHBondContact OG1-N 3.15Å; T162-Q165 VanDerWaalsContact OG1-N 3.15Å; T162-L166 WeakPolarHBondContact O-CG 3.45Å; T162-L166 PolarHBondContact O-N 2.88Å
163D83.6Confident77.1Confident125 Ų125119 Ų11967%0.66862%0.619SS**Hα-helixtrans-58.2-38.7177.6-165.7-105.3000111.4Q165 L166 K167D163-Q165 PolarHBondContact O-N 3.01Å; D163-L166 PolarHBondContact O-N 3.28Å; D163-K167 VanDerWaalsContact O-CB 3.25Å; D163-K167 WeakPolarHBondContact O-CB 3.26Å; D163-K167 PolarHBondContact O-N 2.91Å
164D82.1Confident76.6Confident124 Ų124119.2 Ų119.266%0.66364%0.635SS**Hα-helixtrans-62.4-39.5172.4-76.1-73.5000113.3T162 K167 A168T162-D164 PolarHBondContact O-N 3.48Å; D164-K167 PolarHBondContact O-N 3.29Å; D164-A168 VanDerWaalsContact O-CB 3.23Å; D164-A168 WeakPolarHBondContact O-CB 3.25Å; D164-A168 PolarHBondContact O-N 3.06Å
165Q81.4Confident76.2Confident105 Ų105122.4 Ų122.449%0.49164%0.636SS.*Hα-helixtrans-66.9-41.7174.5-80.3174.5-20.700111.9F161 T162 D163 K167 A168 G169F161-Q165 HydrophobicContact CB-CB 4.36Å; T162-Q165 VanDerWaalsContact N-OE1 3.14Å; T162-Q165 WeakPolarHBondContact O-CB 3.41Å; T162-Q165 PolarHBondContact O-N 3.48Å; T162-Q165 WeakPolarHBondContact OG1-CB 3.44Å; T162-Q165 VanDerWaalsContact OG1-CG 3.26Å; T162-Q165 WeakPolarHBondContact OG1-CG 3.49Å; T162-Q165 PolarHBondContact OG1-N 3.15Å; T162-Q165 VanDerWaalsContact OG1-N 3.15Å; D163-Q165 PolarHBondContact O-N 3.01Å; Q165-K167 VanDerWaalsContact C-N 3.33Å; Q165-A168 PolarHBondContact O-N 3.01Å; Q165-G169 PolarHBondContact O-N 2.87Å
166L83.9Confident75.8Confident91 Ų91123.6 Ų123.648%0.47664%0.642SS.*Hα-helixtrans-63.7-41175.2-68.8172.5000111F161 T162 D163 G169 K170F161-L166 HydrophobicContact CB-CD2 3.81Å; F161-L166 HydrophobicContact CB-CG 3.84Å; F161-L166 HydrophobicContact CD2-CD2 4.43Å; F161-L166 HydrophobicContact CG-CD2 4.36Å; T162-L166 WeakPolarHBondContact O-CG 3.45Å; T162-L166 PolarHBondContact O-N 2.88Å; D163-L166 PolarHBondContact O-N 3.28Å; L166-G169 PolarHBondContact O-N 2.77Å; L166-K170 WeakPolarHBondContact O-CG 3.23Å; L166-K170 PolarHBondContact O-N 2.81Å
167K83.5Confident74.9Confident139 Ų139126.6 Ų126.660%0.60466%0.658SS**Hα-helixtrans-68.3-43.1177.2-170.5178.3-177.6-178.60112.1D163 D164 Q165 G169 K170D163-K167 VanDerWaalsContact O-CB 3.25Å; D163-K167 WeakPolarHBondContact O-CB 3.26Å; D163-K167 PolarHBondContact O-N 2.91Å; D164-K167 PolarHBondContact O-N 3.29Å; Q165-K167 VanDerWaalsContact C-N 3.33Å; K167-G169 VanDerWaalsContact C-N 3.28Å; K167-G169 PolarHBondContact O-N 3.06Å; K167-K170 WeakPolarHBondContact O-CB 3.46Å; K167-K170 PolarHBondContact O-N 3.49Å
168A81.3Confident74Confident62 Ų62123.6 Ų123.651%0.51266%0.656SS.*Hα-helixtrans-61.2-39.4172.600000111.1D164 Q165 K170 G171 V172D164-A168 VanDerWaalsContact O-CB 3.23Å; D164-A168 WeakPolarHBondContact O-CB 3.25Å; D164-A168 PolarHBondContact O-N 3.06Å; Q165-A168 PolarHBondContact O-N 3.01Å; A168-K170 VanDerWaalsContact C-N 3.3Å; A168-K170 PolarHBondContact O-N 2.69Å; A168-G171 PolarHBondContact O-N 3.43Å; A168-V172 PolarHBondContact O-N 3.13Å
169G79.4Confident72.9Confident41 Ų41119.4 Ų119.442%0.42366%0.655SS.*Hα-helixtrans-60-34.2174.700000113.9Q165 L166 K167 G171 V172Q165-G169 PolarHBondContact O-N 2.87Å; L166-G169 PolarHBondContact O-N 2.77Å; K167-G169 VanDerWaalsContact C-N 3.28Å; K167-G169 PolarHBondContact O-N 3.06Å; G169-G171 PolarHBondContact O-N 3.32Å; G169-V172 PolarHBondContact O-N 3.4Å; G169-V172 VanDerWaalsContact O-N 3.13Å
170K78.6Confident72Confident183 Ų183117.2 Ų117.280%0.79666%0.657SS**Hα-helixtrans-64.3-25.8174.8-65.6176.5-173.3-1800113L166 K167 A168L166-K170 WeakPolarHBondContact O-CG 3.23Å; L166-K170 PolarHBondContact O-N 2.81Å; K167-K170 WeakPolarHBondContact O-CB 3.46Å; K167-K170 PolarHBondContact O-N 3.49Å; A168-K170 VanDerWaalsContact C-N 3.3Å; A168-K170 PolarHBondContact O-N 2.69Å
171G74.9Confident70.6Confident61 Ų61117.9 Ų117.963%0.62966%0.657SS**Hα-helixtrans-85.5-13.8176.100000113.9A168 G169 I173A168-G171 PolarHBondContact O-N 3.43Å; G169-G171 PolarHBondContact O-N 3.32Å; G171-I173 PolarHBondContact O-N 2.83Å; G171-I173 VanDerWaalsContact O-N 3.16Å
172V71.1Confident69.4Low108 Ų108115.6 Ų115.666%0.65567%0.668SS**  trans-80.996.4175.4-178.50000108.2A168 G169 G174A168-V172 PolarHBondContact O-N 3.13Å; G169-V172 PolarHBondContact O-N 3.4Å; G169-V172 VanDerWaalsContact O-N 3.13Å; V172-G174 PolarHBondContact O-N 3.16Å
173I65.8Low67.9Low152 Ų152115.1 Ų115.178%0.77967%0.672SS**  trans-64.7106165.9-61.4168.2000106G171G171-I173 PolarHBondContact O-N 2.83Å; G171-I173 VanDerWaalsContact O-N 3.16Å
174G68.8Low66.8Low52 Ų52113.4 Ų113.454%0.53667%0.67SS.*  trans-52.5148172.300000109.5V172 Q176V172-G174 PolarHBondContact O-N 3.16Å; G174-Q176 PolarHBondContact O-N 3.06Å
175L63.5Low65.6Low174 Ų174114.7 Ų114.791%0.91167%0.672SS**  trans-42.1105.4174.8-99.3137.5000108.8M177L175-M177 PolarHBondContact O-N 3.3Å
176Q57.5Low64Low164 Ų164115.2 Ų115.277%0.76668%0.682SS**  trans-53.8122.8166.3-100.3-163.5-24.900104.6G174 G178G174-Q176 PolarHBondContact O-N 3.06Å; Q176-G178 PolarHBondContact O-N 3.36Å
177M52.3Low62.8Low202 Ų202114.5 Ų114.5100%0.99570%0.697SS**SBendtrans-58.288.2172.6-79.8-80.2-79.700107.7L175L175-M177 PolarHBondContact O-N 3.3Å
178G54Low61.6Low57 Ų57113 Ų11359%0.58869%0.693SS**  trans176.578.3-163.400000108.1Q176 N180Q176-G178 PolarHBondContact O-N 3.36Å; G178-N180 PolarHBondContact O-N 3.19Å
179S50.3Low60.5Low99 Ų99115.4 Ų115.469%0.69271%0.706SS**  trans-58.9112.7169.6-174.40000108.4K181S179-K181 PolarHBondContact O-N 3.46Å; S179-K181 WeakPolarHBondContact OG-CB 3.49Å; S179-K181 PolarHBondContact OG-N 3.22Å
180N55.1Low59.5Low135 Ų135122.6 Ų122.672%0.72272%0.722SS**  trans-8012.6170.8-126.75.8000112G178 G182G178-N180 PolarHBondContact O-N 3.19Å; N180-G182 PolarHBondContact O-N 3.36Å
181K48.9Very low58.7Low202 Ų202117.2 Ų117.288%0.87872%0.718SS**SBendtrans-73.337.9174.5-73.7-173.1168.9-178.60113S179S179-K181 PolarHBondContact O-N 3.46Å; S179-K181 WeakPolarHBondContact OG-CB 3.49Å; S179-K181 PolarHBondContact OG-N 3.22Å
182G55.9Low58.2Low75 Ų75118.9 Ų118.977%0.77373%0.726SS**SBendtrans-160.4-22.3179.200000114.9N180N180-G182 PolarHBondContact O-N 3.36Å
183A55.3Low57.8Low66 Ų66120.1 Ų120.155%0.54573%0.734SS.*  trans-101.978.2175.300000109.9Q185A183-Q185 PolarHBondContact O-N 2.7Å
184S59.4Low57.5Low90 Ų90124 Ų12463%0.62974%0.739SS**  trans-64.7113.5162.9-177.90000107.8T186S184-T186 WeakPolarHBondContact CB-OG1 3.46Å; S184-T186 PolarHBondContact O-N 3.18Å; S184-T186 PolarHBondContact OG-OG1 3.24Å
185Q56.4Low57Low150 Ų150130.4 Ų130.470%0.70176%0.755SS**  trans-70.840.7171.5-159.5-175.12000111.6A183 M188A183-Q185 PolarHBondContact O-N 2.7Å; Q185-M188 HydrophobicContact CG-CB 4.47Å; Q185-M188 HydrophobicContact CG-CG 4.01Å; Q185-M188 HydrophobicContact CG-SD 3.46Å; Q185-M188 WeakPolarHBondContact CG-SD 3.43Å; Q185-M188 PolarHBondContact NE2-SD 2.83Å
186T48.4Very low57Low117 Ų117130 Ų13072%0.71875%0.752SS**  trans-88.5108.6170.332.90000108S184S184-T186 WeakPolarHBondContact CB-OG1 3.46Å; S184-T186 PolarHBondContact O-N 3.18Å; S184-T186 PolarHBondContact OG-OG1 3.24Å
187G59.4Low56.7Low75 Ų75134.6 Ų134.677%0.77377%0.774SS**  trans120.85.7172.400000116.7S189G187-S189 PolarHBondContact O-N 3.01Å
188M57.3Low56.9Low107 Ų107131.3 Ų131.353%0.52776%0.763SS.*  trans-75.391.8171.6-69.2-175.280.800110.6Q185 Y190Q185-M188 HydrophobicContact CG-CB 4.47Å; Q185-M188 HydrophobicContact CG-CG 4.01Å; Q185-M188 HydrophobicContact CG-SD 3.46Å; Q185-M188 WeakPolarHBondContact CG-SD 3.43Å; Q185-M188 PolarHBondContact NE2-SD 2.83Å; M188-Y190 HydrophobicContact CB-CD2 4.42Å; M188-Y190 HydrophobicContact CB-CE2 4.12Å; M188-Y190 HydrophobicContact CE-CE2 3.71Å; M188-Y190 WeakPolarHBondContact CE-OH 3.12Å
189S58.7Low57Low113 Ų113135.2 Ų135.279%0.7977%0.772SS**  trans-84.5104.7169.7-177.50000109.8G187G187-S189 PolarHBondContact O-N 3.01Å
190Y57.4Low57.4Low192 Ų192137.2 Ų137.275%0.75378%0.776SS**  trans-87114170.1-77.9-89.4000110M188M188-Y190 HydrophobicContact CB-CD2 4.42Å; M188-Y190 HydrophobicContact CB-CE2 4.12Å; M188-Y190 HydrophobicContact CE-CE2 3.71Å; M188-Y190 WeakPolarHBondContact CE-OH 3.12Å
191G63.2Low57.6Low70 Ų70137.3 Ų137.372%0.72278%0.779SS**  trans111.991.5162.700000115.2
192A62.8Low58.1Low96 Ų96133.3 Ų133.379%0.79377%0.773SS**  trans-119.5113150.200000107.5R194A192-R194 PolarHBondContact O-N 3.29Å
193T63.7Low58.2Low135 Ų135137.1 Ų137.183%0.82877%0.773SS**  trans-66.7118.6177.2-42.30000109Q195T193-Q195 PolarHBondContact O-N 3.33Å
194R59.3Low58.5Low234 Ų234142.2 Ų142.288%0.88379%0.789SS**  trans-73.7111.6173.3-75.1-173.7178.3-129.81.5109.3A192A192-R194 PolarHBondContact O-N 3.29Å
195Q58Low58.4Low185 Ų185146.2 Ų146.286%0.86480%0.802SS**  trans-76.4125.4163.9-69.7-90.4-24.900107.8T193T193-Q195 PolarHBondContact O-N 3.33Å
196I63.4Low58.5Low165 Ų165145.9 Ų145.985%0.84681%0.81SS**  trans-102.9127.1174.5-19.4177.1000106
197Q50.9Low59.5Low262 Ų262148.5 Ų148.5100%1.22482%0.819SS**  trans-98.90174.6-173.9161.519.700110.3

Retrieved 197 of 197 residues in 333.7 ms (Link to these results)

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