A0A455BDV6_PHYMC Loading...

Ribosomal protein L15

Component of the large ribosomal subunit. The ribosome is a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell.

AlphaFold DB , UniProt , Accession A0A455BDV6, Species PHYMC (Physeter macrocephalus, Sperm whale), Gene RPL15, Length 204 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
1M62.1Low92.4Very high172 Ų17279.3 Ų79.385%0.84741%0.409SS*.  0119.70-161180-63.700108.2K5 Y6M1-K5 HydrophobicContact CG-CB 4.11Å; M1-K5 HydrophobicContact CG-CG 3.76Å; M1-K5 HydrophobicContact SD-CG 4.06Å; M1-Y6 HydrophobicContact CB-CE2 4.06Å; M1-Y6 HydrophobicContact CG-CE2 4.09Å; M1-Y6 HydrophobicContact SD-CE1 4.15Å; M1-Y6 HydrophobicContact SD-CE2 4.25Å
2G91.8Very high92.7Very high50 Ų5084.3 Ų84.352%0.51542%0.419SS..  trans-81.8155.6-171.700000114.7Y4 K5G2-Y4 VanDerWaalsContact C-N 3.25Å; G2-Y4 PolarHBondContact O-N 3.22Å; G2-Y4 VanDerWaalsContact O-N 3.09Å; G2-K5 VanDerWaalsContact O-CB 3.24Å; G2-K5 WeakPolarHBondContact O-CB 3.26Å; G2-K5 PolarHBondContact O-N 3.25Å
3A95.1Very high93Very high72 Ų7289.9 Ų89.960%0.59544%0.439SS*.Hα-helixtrans-50.3-38.7-177.100000114.5K5 Y6 I7A3-K5 PolarHBondContact O-N 3.49Å; A3-Y6 PolarHBondContact O-N 3.36Å; A3-I7 WeakPolarHBondContact O-CG1 3.44Å; A3-I7 PolarHBondContact O-N 3.24Å; A3-I7 VanDerWaalsContact O-N 3.15Å
4Y95.6Very high93.2Very high114 Ų11489.4 Ų89.445%0.44743%0.434SS..Hα-helixtrans-61.6-28.4177.5-68.6-62.8000114G2 I7 Q8 P45 D46G2-Y4 VanDerWaalsContact C-N 3.25Å; G2-Y4 PolarHBondContact O-N 3.22Å; G2-Y4 VanDerWaalsContact O-N 3.09Å; Y4-I7 HydrophobicContact CD1-CD1 4.48Å; Y4-Q8 WeakPolarHBondContact O-CB 3.48Å; Y4-Q8 PolarHBondContact O-N 3.07Å; Y4-P45 HydrophobicContact CE1-CB 4.32Å; Y4-D46 HydrophobicContact CD1-CB 4.09Å
5K96Very high93.4Very high82 Ų8295.2 Ų95.236%0.35746%0.46SS..Hα-helixtrans-67.7-45.7176.6-178.961172.1165.30110.4M1 G2 A3 Q8 E9M1-K5 HydrophobicContact CG-CB 4.11Å; M1-K5 HydrophobicContact CG-CG 3.76Å; M1-K5 HydrophobicContact SD-CG 4.06Å; G2-K5 VanDerWaalsContact O-CB 3.24Å; G2-K5 WeakPolarHBondContact O-CB 3.26Å; G2-K5 PolarHBondContact O-N 3.25Å; A3-K5 PolarHBondContact O-N 3.49Å; K5-Q8 WeakPolarHBondContact O-CB 3.49Å; K5-Q8 PolarHBondContact O-N 2.98Å; K5-E9 VanDerWaalsContact CE-OE1 3.3Å; K5-E9 WeakPolarHBondContact CE-OE1 3.48Å; K5-E9 IonicContact NZ-OE1 3.78Å; K5-E9 PolarHBondContact NZ-OE1 2.84Å; K5-E9 WeakPolarHBondContact O-CG 3.41Å; K5-E9 PolarHBondContact O-N 2.91Å
6Y96.4Very high93.7Very high141 Ų14192.2 Ų92.255%0.55345%0.452SS*.Hα-helixtrans-61.8-45.1176.3-66.1-82.5000112.1M1 A3 Q8 E9 L10M1-Y6 HydrophobicContact CB-CE2 4.06Å; M1-Y6 HydrophobicContact CG-CE2 4.09Å; M1-Y6 HydrophobicContact SD-CE1 4.15Å; M1-Y6 HydrophobicContact SD-CE2 4.25Å; A3-Y6 PolarHBondContact O-N 3.36Å; Y6-Q8 VanDerWaalsContact C-N 3.26Å; Y6-Q8 PolarHBondContact O-N 3.42Å; Y6-E9 PolarHBondContact O-N 3.36Å; Y6-E9 VanDerWaalsContact O-N 3.15Å; Y6-L10 PolarHBondContact O-N 2.9Å
7I95.6Very high94Very high55 Ų5594.2 Ų94.228%0.28247%0.465SS..Hα-helixtrans-57.1-44.4174.9-63.3170.7000110.1A3 Y4 E9 L10 W11 D46A3-I7 WeakPolarHBondContact O-CG1 3.44Å; A3-I7 PolarHBondContact O-N 3.24Å; A3-I7 VanDerWaalsContact O-N 3.15Å; Y4-I7 HydrophobicContact CD1-CD1 4.48Å; I7-E9 PolarHBondContact O-N 3.17Å; I7-L10 PolarHBondContact O-N 2.93Å; I7-W11 PolarHBondContact O-N 3.34Å; I7-D46 HydrophobicContact CB-CB 4.2Å; I7-D46 HydrophobicContact CG2-CB 3.79Å; I7-D46 WeakPolarHBondContact CG2-OD1 3.38Å
8Q95.9Very high94.1Very high32 Ų3294.5 Ų94.515%0.1547%0.472CS..Hα-helixtrans-61.4-44.3177.3175.9-177.6-500112.6Y4 K5 Y6 W11 R12 R50Y4-Q8 WeakPolarHBondContact O-CB 3.48Å; Y4-Q8 PolarHBondContact O-N 3.07Å; K5-Q8 WeakPolarHBondContact O-CB 3.49Å; K5-Q8 PolarHBondContact O-N 2.98Å; Y6-Q8 VanDerWaalsContact C-N 3.26Å; Y6-Q8 PolarHBondContact O-N 3.42Å; Q8-W11 PolarHBondContact O-N 3.5Å; Q8-R12 WeakPolarHBondContact O-CG 3.23Å; Q8-R12 PolarHBondContact O-N 2.92Å; Q8-R50 VanDerWaalsContact NE2-NH1 3.17Å
9E95.9Very high94.3Very high65 Ų6589.5 Ų89.530%0.30445%0.448SS..Hα-helixtrans-64.8-39.8178.8-63.1-49.7145.900111.7K5 Y6 I7 W11 R12 K13K5-E9 VanDerWaalsContact CE-OE1 3.3Å; K5-E9 WeakPolarHBondContact CE-OE1 3.48Å; K5-E9 IonicContact NZ-OE1 3.78Å; K5-E9 PolarHBondContact NZ-OE1 2.84Å; K5-E9 WeakPolarHBondContact O-CG 3.41Å; K5-E9 PolarHBondContact O-N 2.91Å; Y6-E9 PolarHBondContact O-N 3.36Å; Y6-E9 VanDerWaalsContact O-N 3.15Å; I7-E9 PolarHBondContact O-N 3.17Å; E9-W11 VanDerWaalsContact C-N 3.35Å; E9-W11 PolarHBondContact O-N 3.34Å; E9-R12 VanDerWaalsContact CD-NH1 3.27Å; E9-R12 WeakPolarHBondContact O-CB 3.43Å; E9-R12 PolarHBondContact O-N 3.04Å; E9-R12 IonicContact OE1-CZ 2.93Å; E9-R12 IonicContact OE1-NH1 3.86Å; E9-R12 PolarHBondContact OE1-NH1 3.43Å; E9-R12 WeakPolarHBondContact OE2-CD 3.33Å; E9-R12 IonicContact OE2-CZ 3.04Å; E9-R12 IonicContact OE2-NE 2.8Å; E9-R12 IonicContact OE2-NH1 2.71Å; E9-R12 PolarHBondContact OE2-NH1 3.39Å; E9-K13 PolarHBondContact O-N 2.89Å
10L95.6Very high94.5Very high79 Ų7993.1 Ų93.141%0.41446%0.455SS..Hα-helixtrans-58.8-46.1173.5-172.5119.4000111.2Y6 I7 R12 K13 M19Y6-L10 PolarHBondContact O-N 2.9Å; I7-L10 PolarHBondContact O-N 2.93Å; L10-R12 PolarHBondContact O-N 2.65Å; L10-K13 PolarHBondContact O-N 3.13Å; L10-M19 HydrophobicContact CD2-CG 4.33Å; L10-M19 HydrophobicContact CD2-SD 3.24Å; L10-M19 WeakPolarHBondContact CD2-SD 3.49Å; L10-M19 HydrophobicContact CG-CG 4.25Å; L10-M19 HydrophobicContact CG-SD 3.79Å
11W96.2Very high94.6Very high10 Ų1095.6 Ų95.64%0.03846%0.464CS..Hα-helixtrans-69.7-13.6175.2-81.2105.3000114.6I7 Q8 E9 K14 M19 L23 R44 W120I7-W11 PolarHBondContact O-N 3.34Å; Q8-W11 PolarHBondContact O-N 3.5Å; E9-W11 VanDerWaalsContact C-N 3.35Å; E9-W11 PolarHBondContact O-N 3.34Å; W11-K14 VanDerWaalsContact O-CE 3.28Å; W11-K14 WeakPolarHBondContact O-CE 3.47Å; W11-K14 WeakPolarHBondContact O-CG 3.35Å; W11-K14 PolarHBondContact O-NZ 3.49Å; W11-M19 HydrophobicContact CD2-CE 3.76Å; W11-M19 HydrophobicContact CE3-CE 3.43Å; W11-M19 VanDerWaalsContact CE3-CE 3.43Å; W11-M19 HydrophobicContact CH2-CE 4.05Å; W11-M19 HydrophobicContact CZ2-CE 4.31Å; W11-M19 HydrophobicContact CZ3-CE 3.6Å; W11-L23 HydrophobicContact CH2-CD2 4Å; W11-L23 HydrophobicContact CZ3-CD2 3.89Å; W11-R44 HydrophobicContact CD2-CG 4.25Å; W11-R44 VanDerWaalsContact CD2-NE 3.34Å; W11-R44 HydrophobicContact CH2-CG 3.86Å; W11-R44 HydrophobicContact CZ2-CG 3.31Å; W11-W120 HydrophobicContact CZ3-CZ3 4Å
12R95.8Very high96.3Very high139 Ų13990.2 Ų90.253%0.52544%0.439SS..Hα-helixtrans-76.2-42.5171.1-76.3167.8167.4-173.3-5.9110.2Q8 E9 L10 K14Q8-R12 WeakPolarHBondContact O-CG 3.23Å; Q8-R12 PolarHBondContact O-N 2.92Å; E9-R12 VanDerWaalsContact CD-NH1 3.27Å; E9-R12 WeakPolarHBondContact O-CB 3.43Å; E9-R12 PolarHBondContact O-N 3.04Å; E9-R12 IonicContact OE1-CZ 2.93Å; E9-R12 IonicContact OE1-NH1 3.86Å; E9-R12 PolarHBondContact OE1-NH1 3.43Å; E9-R12 WeakPolarHBondContact OE2-CD 3.33Å; E9-R12 IonicContact OE2-CZ 3.04Å; E9-R12 IonicContact OE2-NE 2.8Å; E9-R12 IonicContact OE2-NH1 2.71Å; E9-R12 PolarHBondContact OE2-NH1 3.39Å; L10-R12 PolarHBondContact O-N 2.65Å; R12-K14 VanDerWaalsContact C-N 3.3Å; R12-K14 PolarHBondContact O-N 3.12Å
13K96.9Very high96.6Very high158 Ų15888.9 Ų88.969%0.68742%0.419SS*.  trans-83.457.3178.1-62-173.6178-175.60113E9 L10 Q15 S16E9-K13 PolarHBondContact O-N 2.89Å; L10-K13 PolarHBondContact O-N 3.13Å; K13-Q15 PolarHBondContact O-N 3.28Å; K13-Q15 VanDerWaalsContact O-N 3.16Å; K13-S16 PolarHBondContact O-N 3.42Å; K13-S16 PolarHBondContact O-OG 3.08Å
14K95.8Very high96.7Very high83 Ų8395.1 Ų95.136%0.36143%0.428SS..THydrogen-bonded Turntrans-65.2-19.4-174.9-59.9-179.1-169.158.60115.1W11 R12 M19 W120W11-K14 VanDerWaalsContact O-CE 3.28Å; W11-K14 WeakPolarHBondContact O-CE 3.47Å; W11-K14 WeakPolarHBondContact O-CG 3.35Å; W11-K14 PolarHBondContact O-NZ 3.49Å; R12-K14 VanDerWaalsContact C-N 3.3Å; R12-K14 PolarHBondContact O-N 3.12Å; K14-M19 WeakPolarHBondContact O-CB 3.38Å; K14-W120 HydrophobicContact CD-CH2 4.2Å; K14-W120 HydrophobicContact CD-CZ3 3.93Å
15Q97.1Very high96.8Very high176 Ų17693 Ų9382%0.82243%0.427SS*.THydrogen-bonded Turntrans-84.9-7.9179.5-74.6178.9-38.300113.3K13 R20K13-Q15 PolarHBondContact O-N 3.28Å; K13-Q15 VanDerWaalsContact O-N 3.16Å; Q15-R20 WeakPolarHBondContact O-CD 3.4Å
16S97.8Very high96.9Very high47 Ų4791.5 Ų91.533%0.32942%0.419SS..SBendtrans-62.9152.1174.168.10000111.4K13 V18 M19 R20K13-S16 PolarHBondContact O-N 3.42Å; K13-S16 PolarHBondContact O-OG 3.08Å; S16-V18 VanDerWaalsContact C-N 3.29Å; S16-V18 PolarHBondContact O-N 2.86Å; S16-M19 PolarHBondContact O-N 2.85Å; S16-M19 PolarHBondContact OG-N 3Å; S16-R20 WeakPolarHBondContact O-CG 3.46Å; S16-R20 PolarHBondContact O-N 3.43Å
17D97.9Very high96.9Very high126 Ų12685 Ų8567%0.67439%0.394SS*.Hα-helixtrans-60-40.7-175.8-60.4-43.3000112.3M19 R20 F21D17-M19 VanDerWaalsContact C-N 3.35Å; D17-M19 PolarHBondContact O-N 2.93Å; D17-R20 PolarHBondContact O-N 2.83Å; D17-F21 VanDerWaalsContact O-CB 3.29Å; D17-F21 WeakPolarHBondContact O-CB 3.32Å; D17-F21 PolarHBondContact O-N 3.43Å
18V97Very high97Very high100 Ų10090 Ų9061%0.60641%0.409SS*.Hα-helixtrans-56.2-48.1174.2179.20000111.3S16 L22S16-V18 VanDerWaalsContact C-N 3.29Å; S16-V18 PolarHBondContact O-N 2.86Å; V18-L22 WeakPolarHBondContact O-CB 3.35Å; V18-L22 PolarHBondContact O-N 2.97Å
19M97.1Very high97.1Very high0 Ų092.9 Ų92.90%042%0.423CS..Hα-helixtrans-71.3-38.9-178.8-78.8-57.4-56.800112.3L10 W11 K14 S16 D17 L22 L23L10-M19 HydrophobicContact CD2-CG 4.33Å; L10-M19 HydrophobicContact CD2-SD 3.24Å; L10-M19 WeakPolarHBondContact CD2-SD 3.49Å; L10-M19 HydrophobicContact CG-CG 4.25Å; L10-M19 HydrophobicContact CG-SD 3.79Å; W11-M19 HydrophobicContact CD2-CE 3.76Å; W11-M19 HydrophobicContact CE3-CE 3.43Å; W11-M19 VanDerWaalsContact CE3-CE 3.43Å; W11-M19 HydrophobicContact CH2-CE 4.05Å; W11-M19 HydrophobicContact CZ2-CE 4.31Å; W11-M19 HydrophobicContact CZ3-CE 3.6Å; K14-M19 WeakPolarHBondContact O-CB 3.38Å; S16-M19 PolarHBondContact O-N 2.85Å; S16-M19 PolarHBondContact OG-N 3Å; D17-M19 VanDerWaalsContact C-N 3.35Å; D17-M19 PolarHBondContact O-N 2.93Å; M19-L22 PolarHBondContact O-N 3.16Å; M19-L22 HydrophobicContact SD-CD2 4.5Å; M19-L23 HydrophobicContact CE-CD1 4.27Å; M19-L23 HydrophobicContact CE-CG 4.3Å; M19-L23 VanDerWaalsContact O-CB 3.28Å; M19-L23 WeakPolarHBondContact O-CB 3.32Å; M19-L23 VanDerWaalsContact O-CG 3.23Å; M19-L23 WeakPolarHBondContact O-CG 3.21Å; M19-L23 PolarHBondContact O-N 2.82Å
20R97.6Very high97.2Very high160 Ų16090 Ų9060%0.60441%0.409SS*.Hα-helixtrans-63.3-46.1176.6-73.7179.863.7-178.5-1.1111.2Q15 S16 D17 L23 R24Q15-R20 WeakPolarHBondContact O-CD 3.4Å; S16-R20 WeakPolarHBondContact O-CG 3.46Å; S16-R20 PolarHBondContact O-N 3.43Å; D17-R20 PolarHBondContact O-N 2.83Å; R20-L23 PolarHBondContact O-N 2.84Å; R20-R24 WeakPolarHBondContact O-CB 3.42Å; R20-R24 PolarHBondContact O-N 2.88Å
21F98Very high97.2Very high147 Ų14791.8 Ų91.865%0.64541%0.41SS*.Hα-helixtrans-58.2-52.9175.5176.8-99.1000111D17 L23 R24 V25D17-F21 VanDerWaalsContact O-CB 3.29Å; D17-F21 WeakPolarHBondContact O-CB 3.32Å; D17-F21 PolarHBondContact O-N 3.43Å; F21-L23 VanDerWaalsContact C-N 3.34Å; F21-L23 PolarHBondContact O-N 2.91Å; F21-R24 WeakPolarHBondContact O-CB 3.34Å; F21-R24 PolarHBondContact O-N 3.3Å; F21-R24 VanDerWaalsContact O-N 3.14Å; F21-V25 HydrophobicContact CE1-CG2 4.26Å; F21-V25 HydrophobicContact CE2-CG2 4.32Å; F21-V25 HydrophobicContact CZ-CG2 4.08Å; F21-V25 PolarHBondContact O-N 3.01Å; F21-V25 VanDerWaalsContact O-N 3.08Å
22L97.4Very high97.3Very high58 Ų5897.9 Ų97.930%0.30444%0.439SS..Hα-helixtrans-59.5-42.7179.9-178.463.5000112.6V18 M19 R26V18-L22 WeakPolarHBondContact O-CB 3.35Å; V18-L22 PolarHBondContact O-N 2.97Å; M19-L22 PolarHBondContact O-N 3.16Å; M19-L22 HydrophobicContact SD-CD2 4.5Å; L22-R26 WeakPolarHBondContact O-CB 3.47Å; L22-R26 WeakPolarHBondContact O-CG 3.42Å; L22-R26 PolarHBondContact O-N 3.21Å; L22-R26 VanDerWaalsContact O-N 3.09Å
23L97.4Very high97.3Very high22 Ų2294.4 Ų94.412%0.11543%0.431CS..Hα-helixtrans-68.7-35.4178-74.2173.8000112.2W11 M19 R20 F21 R26 C27 W120 V121W11-L23 HydrophobicContact CH2-CD2 4Å; W11-L23 HydrophobicContact CZ3-CD2 3.89Å; M19-L23 HydrophobicContact CE-CD1 4.27Å; M19-L23 HydrophobicContact CE-CG 4.3Å; M19-L23 VanDerWaalsContact O-CB 3.28Å; M19-L23 WeakPolarHBondContact O-CB 3.32Å; M19-L23 VanDerWaalsContact O-CG 3.23Å; M19-L23 WeakPolarHBondContact O-CG 3.21Å; M19-L23 PolarHBondContact O-N 2.82Å; R20-L23 PolarHBondContact O-N 2.84Å; F21-L23 VanDerWaalsContact C-N 3.34Å; F21-L23 PolarHBondContact O-N 2.91Å; L23-R26 PolarHBondContact O-N 3.15Å; L23-C27 VanDerWaalsContact O-CB 3.29Å; L23-C27 WeakPolarHBondContact O-CB 3.25Å; L23-C27 PolarHBondContact O-N 2.99Å; L23-C27 PolarHBondContact O-SG 3.15Å; L23-W120 HydrophobicContact CD1-CH2 4.01Å; L23-W120 HydrophobicContact CD2-CH2 4.23Å; L23-W120 HydrophobicContact CD2-CZ3 4.49Å; L23-V121 WeakPolarHBondContact CD2-O 3.36Å
24R97.6Very high97.4Very high203 Ų20390.2 Ų90.277%0.76642%0.421SS*.Hα-helixtrans-62.9-49.6176.3-174.8177.5-179.8177-0.2111.2R20 F21 R26 C27 W28R20-R24 WeakPolarHBondContact O-CB 3.42Å; R20-R24 PolarHBondContact O-N 2.88Å; F21-R24 WeakPolarHBondContact O-CB 3.34Å; F21-R24 PolarHBondContact O-N 3.3Å; F21-R24 VanDerWaalsContact O-N 3.14Å; R24-R26 PolarHBondContact O-N 3.14Å; R24-C27 PolarHBondContact O-N 3.07Å; R24-W28 PolarHBondContact O-N 3.12Å
25V97.9Very high97.4Very high70 Ų7088.3 Ų88.342%0.42442%0.421SS..Hα-helixtrans-60.6-45177.8176.30000110.8F21 W28 Q29F21-V25 HydrophobicContact CE1-CG2 4.26Å; F21-V25 HydrophobicContact CE2-CG2 4.32Å; F21-V25 HydrophobicContact CZ-CG2 4.08Å; F21-V25 PolarHBondContact O-N 3.01Å; F21-V25 VanDerWaalsContact O-N 3.08Å; V25-W28 WeakPolarHBondContact O-CB 3.26Å; V25-W28 PolarHBondContact O-N 2.65Å; V25-Q29 PolarHBondContact O-N 3.36Å
26R97.4Very high97.5Very high51 Ų5181.6 Ų81.619%0.19239%0.391CS..Hα-helixtrans-62.9-46.7176.5-76.9176.1174165.3-1.8112.9L22 L23 R24 W28 Q29 Y30L22-R26 WeakPolarHBondContact O-CB 3.47Å; L22-R26 WeakPolarHBondContact O-CG 3.42Å; L22-R26 PolarHBondContact O-N 3.21Å; L22-R26 VanDerWaalsContact O-N 3.09Å; L23-R26 PolarHBondContact O-N 3.15Å; R24-R26 PolarHBondContact O-N 3.14Å; R26-W28 VanDerWaalsContact C-N 3.25Å; R26-W28 PolarHBondContact O-N 3.21Å; R26-Q29 PolarHBondContact O-N 3.19Å; R26-Y30 HydrophobicContact CB-CE1 4.29Å; R26-Y30 HydrophobicContact CB-CE2 4.06Å; R26-Y30 WeakPolarHBondContact O-CB 3.42Å; R26-Y30 WeakPolarHBondContact O-CD1 3.49Å; R26-Y30 PolarHBondContact O-N 3.26Å
27C97Very high97.5Very high5 Ų580.8 Ų80.83%0.03438%0.382CS..Hα-helixtrans-63.9-31.9178.3-75.50000112.1L23 R24 R31 E123L23-C27 VanDerWaalsContact O-CB 3.29Å; L23-C27 WeakPolarHBondContact O-CB 3.25Å; L23-C27 PolarHBondContact O-N 2.99Å; L23-C27 PolarHBondContact O-SG 3.15Å; R24-C27 PolarHBondContact O-N 3.07Å; C27-R31 WeakPolarHBondContact O-CG 3.28Å; C27-R31 PolarHBondContact O-N 3.08Å; C27-R31 PolarHBondContact O-NE 3.14Å; C27-E123 PolarHBondContact SG-O 2.69Å; C27-E123 VanDerWaalsContact SG-O 3.4Å
28W97.8Very high97.5Very high159 Ų15982.6 Ų82.660%0.60238%0.379SS*.Hα-helixtrans-63.1-52.2169.817085.7000111R24 V25 R26 Y30 R31 Q32R24-W28 PolarHBondContact O-N 3.12Å; V25-W28 WeakPolarHBondContact O-CB 3.26Å; V25-W28 PolarHBondContact O-N 2.65Å; R26-W28 VanDerWaalsContact C-N 3.25Å; R26-W28 PolarHBondContact O-N 3.21Å; W28-Y30 VanDerWaalsContact C-N 3.33Å; W28-Y30 PolarHBondContact O-N 3.25Å; W28-R31 WeakPolarHBondContact O-CB 3.2Å; W28-R31 PolarHBondContact O-N 2.92Å; W28-R31 VanDerWaalsContact O-N 3.13Å; W28-Q32 PolarHBondContact O-N 3.01Å
29Q97.6Very high97.5Very high93 Ų9378 Ų7844%0.43535%0.352SS..Hα-helixtrans-57.2-44.8178.1-172.8-171.924.600111.9V25 R26 R31 Q32 L33V25-Q29 PolarHBondContact O-N 3.36Å; R26-Q29 PolarHBondContact O-N 3.19Å; Q29-R31 PolarHBondContact O-N 3.48Å; Q29-Q32 PolarHBondContact O-N 3.19Å; Q29-L33 HydrophobicContact CG-CD1 4.47Å; Q29-L33 PolarHBondContact O-N 2.84Å
30Y97.6Very high97.4Very high4 Ų484 Ų842%0.01639%0.391CS..Hα-helixtrans-68.1-21.3-177.5-60-10.3000113.3R26 W28 T43 R63 V121 F129R26-Y30 HydrophobicContact CB-CE1 4.29Å; R26-Y30 HydrophobicContact CB-CE2 4.06Å; R26-Y30 WeakPolarHBondContact O-CB 3.42Å; R26-Y30 WeakPolarHBondContact O-CD1 3.49Å; R26-Y30 PolarHBondContact O-N 3.26Å; W28-Y30 VanDerWaalsContact C-N 3.33Å; W28-Y30 PolarHBondContact O-N 3.25Å; Y30-T43 PolarHBondContact OH-OG1 2.95Å; Y30-R63 VanDerWaalsContact CZ-CZ 3.44Å; Y30-R63 PolarHBondContact OH-NH2 3.03Å; Y30-V121 HydrophobicContact CE2-CG2 3.98Å; Y30-F129 HydrophobicContact CD2-CB 4.06Å; Y30-F129 HydrophobicContact CD2-CD1 4.02Å; Y30-F129 HydrophobicContact CD2-CD2 4.24Å; Y30-F129 AromaticContact CD2-CG 3.85Å; Y30-F129 HydrophobicContact CD2-CG 3.85Å; Y30-F129 HydrophobicContact CG-CD1 4.31Å
31R96.3Very high97.4Very high116 Ų11686 Ų8644%0.43840%0.398SS..Hα-helixtrans-73.3-36.3174.4-83.7-173.2-98.5-157.4-4.2112.3C27 W28 Q29 L33 R65 D124 F129C27-R31 WeakPolarHBondContact O-CG 3.28Å; C27-R31 PolarHBondContact O-N 3.08Å; C27-R31 PolarHBondContact O-NE 3.14Å; W28-R31 WeakPolarHBondContact O-CB 3.2Å; W28-R31 PolarHBondContact O-N 2.92Å; W28-R31 VanDerWaalsContact O-N 3.13Å; Q29-R31 PolarHBondContact O-N 3.48Å; R31-L33 VanDerWaalsContact C-N 3.31Å; R31-R65 PolarHBondContact O-NH1 3.49Å; R31-R65 VanDerWaalsContact O-NH1 3.1Å; R31-D124 VanDerWaalsContact CD-OD2 3.27Å; R31-D124 WeakPolarHBondContact CD-OD2 3.49Å; R31-D124 IonicContact CZ-OD2 3.62Å; R31-D124 IonicContact NE-OD2 2.78Å; R31-D124 PolarHBondContact NE-OD2 3.31Å; R31-D124 IonicContact NH1-OD2 2.73Å; R31-D124 IonicContact NH2-OD2 2.7Å; R31-F129 HydrophobicContact CG-CZ 4.22Å
32Q97.4Very high97.3Very high138 Ų13880 Ų8065%0.64537%0.374SS*.Hα-helixtrans-70.8-29.1178.1-54.6-53.4-26.800112.4W28 Q29W28-Q32 PolarHBondContact O-N 3.01Å; Q29-Q32 PolarHBondContact O-N 3.19Å
33L97.1Very high97.3Very high66 Ų6678.2 Ų78.235%0.34637%0.366SS..SBendtrans-78.2160.9178.3-61.2173.4000112.5Q29 R31 H37 R65Q29-L33 HydrophobicContact CG-CD1 4.47Å; Q29-L33 PolarHBondContact O-N 2.84Å; R31-L33 VanDerWaalsContact C-N 3.31Å; L33-H37 WeakPolarHBondContact CD1-NE2 3.36Å; L33-R65 PolarHBondContact O-NH1 3.1Å
34S97.5Very high97.3Very high70 Ų7078.3 Ų78.349%0.4936%0.364SS..  trans-61.1157176.971.30000111.9L36 H37S34-L36 PolarHBondContact O-N 2.98Å; S34-L36 VanDerWaalsContact O-N 3.08Å; S34-L36 PolarHBondContact OG-O 3.38Å; S34-H37 PolarHBondContact O-ND1 3.27Å
35A97.6Very high97.3Very high44 Ų4471 Ų7136%0.36434%0.343SS..SBendtrans-60.3-25.4-174.500000114V64 R65A35-V64 WeakPolarHBondContact O-CA 3.12Å; A35-R65 HydrophobicContact CB-CG 3.94Å; A35-R65 PolarHBondContact O-N 2.89Å
36L98Very high97.2Very high34 Ų3468 Ų6818%0.17833%0.325CS..EExtended strand (participates in β ladder)trans-140.4117.8174.3-178.8158000107.4S34 Y62 R63 V64 H109S34-L36 PolarHBondContact O-N 2.98Å; S34-L36 VanDerWaalsContact O-N 3.08Å; S34-L36 PolarHBondContact OG-O 3.38Å; L36-Y62 HydrophobicContact CD2-CD1 3.45Å; L36-Y62 VanDerWaalsContact CD2-CD1 3.45Å; L36-Y62 HydrophobicContact CD2-CE1 3.7Å; L36-Y62 HydrophobicContact CG-CD1 4.19Å; L36-R63 WeakPolarHBondContact CA-O 3.46Å; L36-V64 HydrophobicContact CD1-CG2 4.18Å; L36-V64 HydrophobicContact CG-CG2 4.13Å; L36-H109 HydrophobicContact CD1-CB 3.66Å; L36-H109 HydrophobicContact CD2-CB 4.17Å; L36-H109 WeakPolarHBondContact CD2-CD2 3.41Å
37H97.9Very high97.2Very high31 Ų3168.6 Ų68.614%0.14433%0.329CS..EExtended strand (participates in β ladder)trans-142.5155.4177.257.2-87.4000111L33 S34 Y62 R63L33-H37 WeakPolarHBondContact CD1-NE2 3.36Å; S34-H37 PolarHBondContact O-ND1 3.27Å; H37-Y62 CarbonylContact O-C 3.59Å; H37-Y62 WeakPolarHBondContact O-CA 3.44Å; H37-R63 PolarHBondContact N-O 2.95Å; H37-R63 VanDerWaalsContact N-O 3.1Å; H37-R63 PolarHBondContact NE2-NH1 3.49Å; H37-R63 VanDerWaalsContact NE2-NH1 3.19Å; H37-R63 PolarHBondContact O-N 3.05Å
38R97.8Very high97.3Very high164 Ų16468.3 Ų68.362%0.61933%0.327SS*.EExtended strand (participates in β ladder)trans-72.4130.3173.1-173.1178177.4-172-0.6109.7Y62R38-Y62 HydrophobicContact CB-CD1 4.48Å; R38-Y62 HydrophobicContact CB-CE1 4.07Å; R38-Y62 HydrophobicContact CB-CE2 4.27Å; R38-Y62 HydrophobicContact CG-CE2 4.23Å
39A96.9Very high97.2Very high3 Ų367.8 Ų67.83%0.02533%0.325CS..EExtended strand (participates in β ladder)trans-94132.9169.300000108.9R41 I61A39-R41 VanDerWaalsContact C-N 3.31Å; A39-R41 PolarHBondContact O-N 3.12Å; A39-I61 HydrophobicContact CB-CB 4.41Å; A39-I61 HydrophobicContact CB-CG2 4.06Å; A39-I61 PolarHBondContact N-O 2.54Å
40P95.8Very high97.2Very high126 Ų12669.8 Ų69.882%0.81833%0.328SS*.SBendtrans-67.6-32.9-178.225.5-33.6000112.4
41R96.3Very high97.2Very high202 Ų20271 Ų7176%0.76234%0.335SS*.SBendtrans-142.5154.9-179.6-65.7-177.9-174.3147.31.2110A39 T43A39-R41 VanDerWaalsContact C-N 3.31Å; A39-R41 PolarHBondContact O-N 3.12Å; R41-T43 PolarHBondContact O-N 3.35Å
42P97.8Very high97.2Very high20 Ų2067 Ų6713%0.1333%0.33CS..  trans-62.8131.8174.422.1-30000110.3R44 P45 A48 Y53 I61 Y119P42-R44 PolarHBondContact O-N 2.83Å; P42-P45 HydrophobicContact CG-CB 4.35Å; P42-A48 HydrophobicContact CB-CB 3.8Å; P42-A48 HydrophobicContact CG-CB 4.4Å; P42-Y53 HydrophobicContact CG-CD1 4.28Å; P42-Y53 HydrophobicContact CG-CE1 3.83Å; P42-I61 VanDerWaalsContact CA-CD1 3.44Å; P42-I61 HydrophobicContact CB-CD1 3.38Å; P42-I61 HydrophobicContact CG-CD1 3.88Å; P42-Y119 VanDerWaalsContact CB-OH 3.25Å; P42-Y119 WeakPolarHBondContact CB-OH 3.33Å
43T97.3Very high97.2Very high22 Ų2262.2 Ų62.214%0.13531%0.306CS..SBendtrans-65.2-29.1172.4-59.90000111.1Y30 R41 R63 E131Y30-T43 PolarHBondContact OH-OG1 2.95Å; R41-T43 PolarHBondContact O-N 3.35Å; T43-R63 PolarHBondContact OG1-NH2 3.03Å; T43-E131 WeakPolarHBondContact CB-OE1 3.29Å; T43-E131 WeakPolarHBondContact CB-OE2 3.29Å; T43-E131 PolarHBondContact N-OE2 3.06Å; T43-E131 PolarHBondContact OG1-OE1 3.44Å; T43-E131 PolarHBondContact OG1-OE2 3.42Å
44R96.9Very high97.2Very high23 Ų2362.6 Ų62.69%0.08731%0.305CS..  trans-12481.9-179.2-64.2-173.359.7-171.4-0.5110.8W11 P42 D46 K47 A48 Y119 W120W11-R44 HydrophobicContact CD2-CG 4.25Å; W11-R44 VanDerWaalsContact CD2-NE 3.34Å; W11-R44 HydrophobicContact CH2-CG 3.86Å; W11-R44 HydrophobicContact CZ2-CG 3.31Å; P42-R44 PolarHBondContact O-N 2.83Å; R44-D46 VanDerWaalsContact C-N 3.26Å; R44-D46 IonicContact NH2-OD2 3.64Å; R44-D46 PolarHBondContact O-N 3.34Å; R44-K47 HydrophobicContact CB-CB 3.88Å; R44-K47 PolarHBondContact O-N 3.03Å; R44-A48 WeakPolarHBondContact O-CB 3.37Å; R44-A48 PolarHBondContact O-N 2.8Å; R44-Y119 HydrophobicContact CB-CD2 4.25Å; R44-Y119 HydrophobicContact CB-CE2 3.76Å; R44-Y119 HydrophobicContact CG-CE2 4.31Å; R44-W120 PolarHBondContact NH1-O 3.16Å
45P96.8Very high97.1Very high51 Ų5163.6 Ų63.633%0.33132%0.317SS..Hα-helixtrans-61.6-34.3-177.624.7-33.9000112.4Y4 P42 K47 R49Y4-P45 HydrophobicContact CE1-CB 4.32Å; P42-P45 HydrophobicContact CG-CB 4.35Å; P45-K47 PolarHBondContact O-N 2.82Å; P45-R49 VanDerWaalsContact O-CB 3.24Å; P45-R49 WeakPolarHBondContact O-CB 3.22Å; P45-R49 PolarHBondContact O-N 2.9Å
46D96.9Very high97Very high7 Ų764.2 Ų64.24%0.03731%0.312CS..Hα-helixtrans-57.5-48.1173.968.7-56.6000112.2Y4 I7 R44 R50Y4-D46 HydrophobicContact CD1-CB 4.09Å; I7-D46 HydrophobicContact CB-CB 4.2Å; I7-D46 HydrophobicContact CG2-CB 3.79Å; I7-D46 WeakPolarHBondContact CG2-OD1 3.38Å; R44-D46 VanDerWaalsContact C-N 3.26Å; R44-D46 IonicContact NH2-OD2 3.64Å; R44-D46 PolarHBondContact O-N 3.34Å; D46-R50 PolarHBondContact O-N 3.49Å
47K97.8Very high97Very high62 Ų6269.4 Ų69.427%0.2734%0.335SS..Hα-helixtrans-77.7-41.1-175.2-174.858.7175.3176.90111R44 P45 R49 R50 L51 Y119R44-K47 HydrophobicContact CB-CB 3.88Å; R44-K47 PolarHBondContact O-N 3.03Å; P45-K47 PolarHBondContact O-N 2.82Å; K47-R49 VanDerWaalsContact C-N 3.33Å; K47-R49 PolarHBondContact O-N 2.89Å; K47-R50 PolarHBondContact O-N 3Å; K47-L51 HydrophobicContact CD-CD1 4.36Å; K47-L51 HydrophobicContact CG-CD1 4.22Å; K47-L51 WeakPolarHBondContact O-CG 3.28Å; K47-L51 PolarHBondContact O-N 2.89Å; K47-Y119 HydrophobicContact CB-CD2 4.47Å; K47-Y119 HydrophobicContact CG-CD1 4.49Å; K47-Y119 HydrophobicContact CG-CD2 4.14Å; K47-Y119 HydrophobicContact CG-CG 3.87Å
48A98Very high96.9Very high0 Ų068.4 Ų68.40%033%0.334CS..Hα-helixtrans-58.6-47.1176.200000110.7P42 R44 R50 L51 G52 Y53 Y119 I133P42-A48 HydrophobicContact CB-CB 3.8Å; P42-A48 HydrophobicContact CG-CB 4.4Å; R44-A48 WeakPolarHBondContact O-CB 3.37Å; R44-A48 PolarHBondContact O-N 2.8Å; A48-R50 PolarHBondContact O-N 3.31Å; A48-L51 CarbonylContact O-C 3.58Å; A48-L51 PolarHBondContact O-N 2.96Å; A48-G52 PolarHBondContact O-N 3.18Å; A48-Y53 HydrophobicContact CB-CD1 4.15Å; A48-Y53 HydrophobicContact CB-CG 4.08Å; A48-Y53 VanDerWaalsContact O-CB 3.25Å; A48-Y53 WeakPolarHBondContact O-CB 3.44Å; A48-Y53 PolarHBondContact O-N 2.67Å; A48-Y119 HydrophobicContact CB-CE1 3.81Å; A48-I133 HydrophobicContact CB-CD1 4.5Å
49R96.9Very high96.9Very high147 Ų14761.6 Ų61.656%0.55531%0.308SS*.Hα-helixtrans-60.6-43.7-180-168.1176.1-178.395-0.5112.1P45 K47 L51 G52P45-R49 VanDerWaalsContact O-CB 3.24Å; P45-R49 WeakPolarHBondContact O-CB 3.22Å; P45-R49 PolarHBondContact O-N 2.9Å; K47-R49 VanDerWaalsContact C-N 3.33Å; K47-R49 PolarHBondContact O-N 2.89Å; R49-L51 PolarHBondContact O-N 2.83Å; R49-G52 PolarHBondContact O-N 3.32Å
50R96.8Very high97Very high135 Ų13562.6 Ų62.651%0.50931%0.314SS..Hα-helixtrans-60-29.3174.8-170.4177.7-51.6177.97.1113.4Q8 D46 K47 A48 G52Q8-R50 VanDerWaalsContact NE2-NH1 3.17Å; D46-R50 PolarHBondContact O-N 3.49Å; K47-R50 PolarHBondContact O-N 3Å; A48-R50 PolarHBondContact O-N 3.31Å; R50-G52 VanDerWaalsContact C-N 3.31Å
51L97.3Very high97.1Very high31 Ų3156.8 Ų56.816%0.16228%0.276CS..THydrogen-bonded Turntrans-91.36.8179.8-63173.5000113K47 A48 R49 L116 N117 S118 Y119 I133K47-L51 HydrophobicContact CD-CD1 4.36Å; K47-L51 HydrophobicContact CG-CD1 4.22Å; K47-L51 WeakPolarHBondContact O-CG 3.28Å; K47-L51 PolarHBondContact O-N 2.89Å; A48-L51 CarbonylContact O-C 3.58Å; A48-L51 PolarHBondContact O-N 2.96Å; R49-L51 PolarHBondContact O-N 2.83Å; L51-L116 WeakPolarHBondContact O-CD2 3.24Å; L51-N117 HydrophobicContact CB-CB 4.08Å; L51-N117 WeakPolarHBondContact CD2-ND2 3.39Å; L51-S118 WeakPolarHBondContact CD1-O 3.38Å; L51-Y119 HydrophobicContact CD1-CD1 3.73Å; L51-Y119 HydrophobicContact CD1-CG 4.15Å; L51-I133 HydrophobicContact CB-CD1 3.9Å
52G96.4Very high97.2Very high31 Ų3149.2 Ų49.232%0.3225%0.247SC..THydrogen-bonded Turntrans9710.5173.800000115.1A48 R49 R50 Y59A48-G52 PolarHBondContact O-N 3.18Å; R49-G52 PolarHBondContact O-N 3.32Å; R50-G52 VanDerWaalsContact C-N 3.31Å; G52-Y59 WeakPolarHBondContact O-CE1 3.4Å; G52-Y59 PolarHBondContact O-OH 3.22Å
53Y97.9Very high97.2Very high38 Ų3849.2 Ų49.215%0.14925%0.245CC..  trans-67.8132.8169.3177.5-98.5000110.6P42 A48 A55 Y59 I61 I133P42-Y53 HydrophobicContact CG-CD1 4.28Å; P42-Y53 HydrophobicContact CG-CE1 3.83Å; A48-Y53 HydrophobicContact CB-CD1 4.15Å; A48-Y53 HydrophobicContact CB-CG 4.08Å; A48-Y53 VanDerWaalsContact O-CB 3.25Å; A48-Y53 WeakPolarHBondContact O-CB 3.44Å; A48-Y53 PolarHBondContact O-N 2.67Å; Y53-A55 HydrophobicContact CE1-CB 4.21Å; Y53-Y59 AromaticContact CD2-CD1 3.82Å; Y53-Y59 HydrophobicContact CD2-CD1 3.82Å; Y53-Y59 HydrophobicContact CD2-CG 4.25Å; Y53-Y59 HydrophobicContact CE2-CD1 4.42Å; Y53-Y59 HydrophobicContact CE2-CG 4.43Å; Y53-I61 HydrophobicContact CD2-CD1 4.01Å; Y53-I61 HydrophobicContact CD2-CG1 4.22Å; Y53-I61 HydrophobicContact CE2-CD1 3.74Å; Y53-I61 HydrophobicContact CE2-CG1 3.98Å; Y53-I133 HydrophobicContact CD2-CG2 4.21Å
54K96.6Very high97.3Very high74 Ų7448.2 Ų48.232%0.32224%0.239SC..  trans-123.4138.3168.9-63.9-174.9-179.8-175.60108K56 Y59 D147K54-K56 HydrophobicContact CB-CG 4.19Å; K54-K56 PolarHBondContact O-N 3.09Å; K54-Y59 HydrophobicContact CB-CE2 4.13Å; K54-D147 IonicContact NZ-OD2 2.65Å; K54-D147 PolarHBondContact NZ-OD2 3.2Å
55A95.9Very high97.4Very high90 Ų9050 Ų5074%0.74425%0.245SC*.SBendtrans-78.271.9177.300000110.2Y53Y53-A55 HydrophobicContact CE1-CB 4.21Å
56K95.2Very high97.4Very high57 Ų5747.7 Ų47.725%0.24823%0.231CC..SBendtrans-140.1163.4174.864.2172.3-177.5166.50109.5K54 Y59 A141 N145K54-K56 HydrophobicContact CB-CG 4.19Å; K54-K56 PolarHBondContact O-N 3.09Å; K56-Y59 HydrophobicContact CG-CD2 3.96Å; K56-Y59 HydrophobicContact CG-CE2 4.18Å; K56-Y59 PolarHBondContact O-N 3.27Å; K56-A141 PolarHBondContact NZ-O 3.23Å; K56-N145 VanDerWaalsContact NZ-CB 3.29Å; K56-N145 PolarHBondContact NZ-ND2 2.92Å
57Q96.8Very high97.5Very high143 Ų14355.8 Ų55.867%0.66826%0.261SS*.THydrogen-bonded Turntrans-58.3146.3176.6-62.8175.2-27.900111.7H139Q57-H139 WeakPolarHBondContact CB-CE1 3.28Å; Q57-H139 WeakPolarHBondContact CB-NE2 3.42Å; Q57-H139 PolarHBondContact OE1-CE1 3.4Å
58G96.8Very high97.5Very high11 Ų1157.5 Ų57.511%0.11327%0.265CS..THydrogen-bonded Turntrans90.1-7.5-175.500000115.1I135 D136G58-I135 CarbonylContact O-C 3.55Å; G58-I135 WeakPolarHBondContact O-CA 3.37Å; G58-D136 PolarHBondContact O-N 2.8Å
59Y98.1Very high97.3Very high20 Ų2060.6 Ų60.68%0.07830%0.297CS..EExtended strand (participates in β ladder)trans-95.5136.3165.6-80.2-98.8000110.8G52 Y53 K54 K56 L116 I133 I135 I142 T148G52-Y59 WeakPolarHBondContact O-CE1 3.4Å; G52-Y59 PolarHBondContact O-OH 3.22Å; Y53-Y59 AromaticContact CD2-CD1 3.82Å; Y53-Y59 HydrophobicContact CD2-CD1 3.82Å; Y53-Y59 HydrophobicContact CD2-CG 4.25Å; Y53-Y59 HydrophobicContact CE2-CD1 4.42Å; Y53-Y59 HydrophobicContact CE2-CG 4.43Å; K54-Y59 HydrophobicContact CB-CE2 4.13Å; K56-Y59 HydrophobicContact CG-CD2 3.96Å; K56-Y59 HydrophobicContact CG-CE2 4.18Å; K56-Y59 PolarHBondContact O-N 3.27Å; Y59-L116 HydrophobicContact CE1-CD2 4.07Å; Y59-I133 HydrophobicContact CD1-CG2 3.92Å; Y59-I133 HydrophobicContact CE1-CG2 4.28Å; Y59-I135 HydrophobicContact CD1-CD1 4.43Å; Y59-I135 HydrophobicContact CD1-CG1 3.94Å; Y59-I135 HydrophobicContact CE1-CD1 3.75Å; Y59-I135 HydrophobicContact CE1-CG1 3.78Å; Y59-I135 HydrophobicContact CG-CG1 4.49Å; Y59-I142 HydrophobicContact CD2-CD1 3.73Å; Y59-I142 HydrophobicContact CE2-CD1 3.57Å; Y59-T148 HydrophobicContact CE2-CG2 4.28Å; Y59-T148 WeakPolarHBondContact OH-CG2 3.47Å
60V97.9Very high97.2Very high24 Ų2455.9 Ų55.915%0.14529%0.294CS..EExtended strand (participates in β ladder)trans-135.5154.5172.8-60.30000110.9Y62 L113 L134V60-Y62 HydrophobicContact CG2-CD2 4.27Å; V60-Y62 HydrophobicContact CG2-CE2 4.16Å; V60-L113 HydrophobicContact CG2-CD1 3.52Å; V60-L134 HydrophobicContact CG2-CB 3.76Å; V60-L134 HydrophobicContact CG2-CD1 4.33Å; V60-L134 PolarHBondContact N-O 3.07Å; V60-L134 PolarHBondContact O-N 3.48Å
61I98.4Very high97Very high5 Ų555.9 Ų55.93%0.02629%0.294CS..EExtended strand (participates in β ladder)trans-123130.2178.2-60.3179000108.4A39 P42 Y53 E131 V132A39-I61 HydrophobicContact CB-CB 4.41Å; A39-I61 HydrophobicContact CB-CG2 4.06Å; A39-I61 PolarHBondContact N-O 2.54Å; P42-I61 VanDerWaalsContact CA-CD1 3.44Å; P42-I61 HydrophobicContact CB-CD1 3.38Å; P42-I61 HydrophobicContact CG-CD1 3.88Å; Y53-I61 HydrophobicContact CD2-CD1 4.01Å; Y53-I61 HydrophobicContact CD2-CG1 4.22Å; Y53-I61 HydrophobicContact CE2-CD1 3.74Å; Y53-I61 HydrophobicContact CE2-CG1 3.98Å; I61-E131 HydrophobicContact CG2-CB 3.84Å; I61-E131 HydrophobicContact CG2-CG 3.91Å; I61-V132 WeakPolarHBondContact CA-O 3.49Å
62Y98.5Very high96.9Very high42 Ų4260.5 Ų60.517%0.16531%0.313CS..EExtended strand (participates in β ladder)trans-115.9134.3172.2-86.8-102.7000109.5L36 H37 R38 V60 C110 E131 V132 L134L36-Y62 HydrophobicContact CD2-CD1 3.45Å; L36-Y62 VanDerWaalsContact CD2-CD1 3.45Å; L36-Y62 HydrophobicContact CD2-CE1 3.7Å; L36-Y62 HydrophobicContact CG-CD1 4.19Å; H37-Y62 CarbonylContact O-C 3.59Å; H37-Y62 WeakPolarHBondContact O-CA 3.44Å; R38-Y62 HydrophobicContact CB-CD1 4.48Å; R38-Y62 HydrophobicContact CB-CE1 4.07Å; R38-Y62 HydrophobicContact CB-CE2 4.27Å; R38-Y62 HydrophobicContact CG-CE2 4.23Å; V60-Y62 HydrophobicContact CG2-CD2 4.27Å; V60-Y62 HydrophobicContact CG2-CE2 4.16Å; Y62-C110 VanDerWaalsContact CZ-SG 3.5Å; Y62-E131 CarbonylContact O-C 3.56Å; Y62-E131 WeakPolarHBondContact O-CA 3.38Å; Y62-V132 PolarHBondContact N-O 3Å; Y62-V132 PolarHBondContact O-N 3.2Å; Y62-L134 HydrophobicContact CD2-CD1 3.64Å; Y62-L134 HydrophobicContact CG-CD1 4.11Å
63R98.6Very high96.9Very high21 Ų2162.6 Ų62.68%0.07931%0.312CS..EExtended strand (participates in β ladder)trans-95.4130.9171.9-166.9175.7-60.9138.9-9.7108.8Y30 L36 H37 T43 F130 E131Y30-R63 VanDerWaalsContact CZ-CZ 3.44Å; Y30-R63 PolarHBondContact OH-NH2 3.03Å; L36-R63 WeakPolarHBondContact CA-O 3.46Å; H37-R63 PolarHBondContact N-O 2.95Å; H37-R63 VanDerWaalsContact N-O 3.1Å; H37-R63 PolarHBondContact NE2-NH1 3.49Å; H37-R63 VanDerWaalsContact NE2-NH1 3.19Å; H37-R63 PolarHBondContact O-N 3.05Å; T43-R63 PolarHBondContact OG1-NH2 3.03Å; R63-F130 CarbonylContact C-O 3.53Å; R63-F130 WeakPolarHBondContact CA-O 3.3Å; R63-E131 HydrophobicContact CB-CG 4.23Å; R63-E131 HydrophobicContact CG-CG 4.21Å; R63-E131 IonicContact CZ-OE1 3.4Å; R63-E131 IonicContact NE-OE1 3.05Å; R63-E131 PolarHBondContact NE-OE1 3.26Å; R63-E131 IonicContact NH2-OE1 2.89Å; R63-E131 PolarHBondContact NH2-OE1 3.43Å
64V98.6Very high96.8Very high1 Ų166.4 Ų66.41%0.00634%0.341CS..EExtended strand (participates in β ladder)trans-129130.5-176.9-1750000109.3A35 L36 V66 A102 R105 A106 F129 F130 V132A35-V64 WeakPolarHBondContact O-CA 3.12Å; L36-V64 HydrophobicContact CD1-CG2 4.18Å; L36-V64 HydrophobicContact CG-CG2 4.13Å; V64-V66 HydrophobicContact CG1-CG2 4.31Å; V64-A102 HydrophobicContact CB-CB 4.22Å; V64-A102 HydrophobicContact CG1-CB 4.17Å; V64-R105 HydrophobicContact CG1-CB 4.1Å; V64-A106 HydrophobicContact CG2-CB 4.07Å; V64-F129 WeakPolarHBondContact O-CA 3.31Å; V64-F130 PolarHBondContact N-O 3.22Å; V64-F130 PolarHBondContact O-N 3.32Å; V64-V132 HydrophobicContact CG2-CG2 4.17Å
65R98.3Very high96.8Very high59 Ų5964.4 Ų64.422%0.22334%0.335CS..EExtended strand (participates in β ladder)trans-95.7136.4168.779.3-171179-167.72.7111.1R31 L33 A35 R105 Y127 K128 F129R31-R65 PolarHBondContact O-NH1 3.49Å; R31-R65 VanDerWaalsContact O-NH1 3.1Å; L33-R65 PolarHBondContact O-NH1 3.1Å; A35-R65 HydrophobicContact CB-CG 3.94Å; A35-R65 PolarHBondContact O-N 2.89Å; R65-R105 PolarHBondContact O-NH1 3.5Å; R65-Y127 HydrophobicContact CB-CD1 4.36Å; R65-Y127 HydrophobicContact CG-CD1 4.1Å; R65-Y127 HydrophobicContact CG-CE1 4.43Å; R65-K128 WeakPolarHBondContact CA-O 3.25Å; R65-F129 HydrophobicContact CB-CD1 3.56Å; R65-F129 HydrophobicContact CB-CE1 3.51Å; R65-F129 HydrophobicContact CB-CZ 4.47Å
66V98.3Very high96.8Very high4 Ų465.4 Ų65.42%0.02433%0.334CS..EExtended strand (participates in β ladder)trans-126.4129.5176.1-172.20000108.8V64 R68 L98 V101 A102 Y127 K128 F130V64-V66 HydrophobicContact CG1-CG2 4.31Å; V66-R68 PolarHBondContact O-N 3.09Å; V66-L98 HydrophobicContact CG1-CB 4.34Å; V66-L98 HydrophobicContact CG1-CD2 3.73Å; V66-V101 HydrophobicContact CG1-CB 4.33Å; V66-V101 HydrophobicContact CG1-CG1 3.95Å; V66-A102 HydrophobicContact CG2-CB 3.66Å; V66-Y127 CarbonylContact O-C 3.55Å; V66-Y127 WeakPolarHBondContact O-CA 3.41Å; V66-K128 PolarHBondContact N-O 3.49Å; V66-K128 PolarHBondContact O-N 2.9Å; V66-F130 HydrophobicContact CG2-CD2 4.42Å
67R97.8Very high96.8Very high177 Ų17773.1 Ų73.167%0.66837%0.367SS*.EExtended strand (participates in β ladder)trans-61.8135.1179.3-167.5175177.1170.60.1110.1T126 Y127R67-T126 CarbonylContact C-O 3.59Å; R67-T126 WeakPolarHBondContact CA-O 3.34Å; R67-T126 HydrophobicContact CG-CG2 4.46Å; R67-Y127 HydrophobicContact CB-CD1 4.21Å; R67-Y127 HydrophobicContact CB-CE1 4.08Å; R67-Y127 HydrophobicContact CG-CE1 4.39Å
68R97.4Very high96.7Very high98 Ų9867.7 Ų67.737%0.3735%0.35SS..  trans-73.5160.6173.8-71.6179.166.1177.7-0.4110.5V66 D124 S125 T126 K128V66-R68 PolarHBondContact O-N 3.09Å; R68-D124 WeakPolarHBondContact CD-O 3.24Å; R68-D124 PolarHBondContact NH1-O 3.4Å; R68-S125 WeakPolarHBondContact CD-O 3.45Å; R68-T126 WeakPolarHBondContact CB-O 3.24Å; R68-T126 PolarHBondContact N-O 3.08Å; R68-K128 HydrophobicContact CG-CG 3.74Å
69G95.1Very high96.6Very high65 Ų6569.2 Ų69.267%0.6736%0.361SS*.SBendtrans109.7-174.6174.900000113.8
70G94.2Very high96.4Very high48 Ų4869.5 Ų69.550%0.49537%0.365SS..  trans-77.9-174.5174.100000112.4
71R93.4Very high96.2Very high135 Ų13578.3 Ų78.351%0.50940%0.397SS..  trans-118.9106.6174.7-177.6177.5178.1-175.5-3.6108.5L92 F94R71-L92 PolarHBondContact N-O 2.93Å; R71-L92 VanDerWaalsContact N-O 3.12Å; R71-L92 WeakPolarHBondContact O-CB 3.38Å; R71-F94 HydrophobicContact CB-CB 4.23Å
72K95Very high96.1Very high128 Ų12881 Ų8156%0.55743%0.426SS*.  trans-57.6137.4170.9-170.8-176.6176.2179.40109.4V89K72-V89 HydrophobicContact CD-CG1 4.38Å; K72-V89 HydrophobicContact CG-CG1 3.75Å
73R95.5Very high96Very high75 Ų7586.5 Ų86.528%0.28345%0.451SS..  trans-62.7132171.1-170.6179.2-70.5-176.67.9109.5V75 H86 G88 V89 L92R73-V75 VanDerWaalsContact C-N 3.28Å; R73-V75 HydrophobicContact CB-CG2 4.28Å; R73-V75 HydrophobicContact CG-CG1 3.86Å; R73-V75 HydrophobicContact CG-CG2 4.35Å; R73-V75 PolarHBondContact O-N 2.74Å; R73-H86 VanDerWaalsContact CZ-O 3.32Å; R73-H86 PolarHBondContact NH1-O 3.37Å; R73-H86 PolarHBondContact NH2-O 3.31Å; R73-G88 PolarHBondContact NH2-O 3.09Å; R73-V89 HydrophobicContact CB-CG1 4.31Å; R73-V89 PolarHBondContact N-O 3.08Å; R73-V89 VanDerWaalsContact N-O 3.12Å; R73-L92 HydrophobicContact CB-CD1 3.79Å
74P95.6Very high95.9Very high117 Ų11790.7 Ų90.776%0.7648%0.481SS*.  trans-7781.7175.832.4-33.9000109.6
75V96.7Very high95.8Very high33 Ų3396.3 Ų96.320%0.252%0.515CS..  trans-121.5132.3175.5-78.30000110R73 K77 G78 T80 V89R73-V75 VanDerWaalsContact C-N 3.28Å; R73-V75 HydrophobicContact CB-CG2 4.28Å; R73-V75 HydrophobicContact CG-CG1 3.86Å; R73-V75 HydrophobicContact CG-CG2 4.35Å; R73-V75 PolarHBondContact O-N 2.74Å; V75-K77 PolarHBondContact O-N 3.1Å; V75-G78 PolarHBondContact O-N 3.27Å; V75-T80 HydrophobicContact CG1-CG2 4.13Å; V75-T80 HydrophobicContact CG2-CG2 4.3Å; V75-V89 HydrophobicContact CG2-CG1 3.96Å; V75-V89 HydrophobicContact CG2-CG2 3.81Å
76P96.1Very high95.6Very high111 Ų11198.4 Ų98.472%0.72153%0.527SS*.G310 helixtrans-55.6129.6175.3-24.334.3000110.9G78 A79P76-G78 PolarHBondContact O-N 2.92Å; P76-A79 PolarHBondContact O-N 3.19Å
77K95.6Very high95.5Very high219 Ų219102.2 Ų102.295%0.95254%0.544SS*.G310 helixtrans53.911.9179.2-56.7-177.4-179.6-179.30116.1V75 A79V75-K77 PolarHBondContact O-N 3.1Å; K77-A79 PolarHBondContact O-N 3.13Å
78G94.3Very high95.4Very high29 Ų2995.7 Ų95.730%0.29953%0.532SS..G310 helixtrans78.23.9-172.300000114.6V75 P76 T80V75-G78 PolarHBondContact O-N 3.27Å; P76-G78 PolarHBondContact O-N 2.92Å; G78-T80 PolarHBondContact O-N 3.33Å
79A94.8Very high95.4Very high43 Ų4391.9 Ų91.936%0.35552%0.52SS..  trans-75.9119.9-178.100000111P76 K77P76-A79 PolarHBondContact O-N 3.19Å; K77-A79 PolarHBondContact O-N 3.13Å
80T94Very high95.4Very high26 Ų2694.4 Ų94.416%0.1652%0.518CS..  trans-118.1126.8174.9500000109.4V75 G78 H87 V89V75-T80 HydrophobicContact CG1-CG2 4.13Å; V75-T80 HydrophobicContact CG2-CG2 4.3Å; G78-T80 PolarHBondContact O-N 3.33Å; T80-H87 WeakPolarHBondContact OG1-CA 3.34Å; T80-H87 WeakPolarHBondContact OG1-CB 3.46Å; T80-H87 PolarHBondContact OG1-CD2 3.37Å; T80-V89 HydrophobicContact CG2-CG2 3.87Å
81Y94.1Very high95.4Very high209 Ų209100.6 Ų100.682%0.8253%0.534SS*.  trans-92.8162.5176.8-53.8-79.1000111.5
82G95.5Very high95.5Very high62 Ų6297.1 Ų97.164%0.63953%0.525SS*.SBendtrans91.7-155.7176.500000113.9H87G82-H87 PolarHBondContact O-NE2 2.85Å
83K97.1Very high95.5Very high157 Ų15799 Ų9968%0.68353%0.534SS*.  trans-63.7144.4-172-62.9-175.4179.2-175.40112.4V85 H86 H87K83-V85 HydrophobicContact CB-CG1 4.08Å; K83-V85 PolarHBondContact O-N 3.18Å; K83-H86 PolarHBondContact O-N 3.03Å; K83-H87 PolarHBondContact O-CD2 2.84Å
84P96.7Very high95.5Very high108 Ų10898.9 Ų98.970%0.70154%0.535SS*.G310 helixtrans-52.9-32.4-178.9-30.135.9000115.3H86 H87P84-H86 PolarHBondContact O-N 2.97Å; P84-H87 WeakPolarHBondContact O-CB 3.25Å; P84-H87 PolarHBondContact O-N 3.35Å
85V96.4Very high95.3Very high119 Ų11997.6 Ų97.672%0.72153%0.534SS*.G310 helixtrans-56.9-23.7176.268.40000113.5K83K83-V85 HydrophobicContact CB-CG1 4.08Å; K83-V85 PolarHBondContact O-N 3.18Å
86H95.2Very high95.2Very high104 Ų104100.3 Ų100.348%0.48154%0.541SS..G310 helixtrans-960.2179.6-60.7-49.4000113.6R73 K83 P84 G88R73-H86 VanDerWaalsContact CZ-O 3.32Å; R73-H86 PolarHBondContact NH1-O 3.37Å; R73-H86 PolarHBondContact NH2-O 3.31Å; K83-H86 PolarHBondContact O-N 3.03Å; P84-H86 PolarHBondContact O-N 2.97Å; H86-G88 VanDerWaalsContact C-N 3.29Å; H86-G88 PolarHBondContact O-N 3.48Å
87H95.6Very high95.2Very high84 Ų8497 Ų9739%0.38952%0.52SS..  trans-77.8-7.9-173.8-67.1-176.2000115.2T80 G82 K83 P84 V89T80-H87 WeakPolarHBondContact OG1-CA 3.34Å; T80-H87 WeakPolarHBondContact OG1-CB 3.46Å; T80-H87 PolarHBondContact OG1-CD2 3.37Å; G82-H87 PolarHBondContact O-NE2 2.85Å; K83-H87 PolarHBondContact O-CD2 2.84Å; P84-H87 WeakPolarHBondContact O-CB 3.25Å; P84-H87 PolarHBondContact O-N 3.35Å; H87-V89 PolarHBondContact O-N 3.47Å
88G95.9Very high95.4Very high40 Ų4089 Ų8941%0.41249%0.487SS..  trans-65.212217900000114.1R73 H86R73-G88 PolarHBondContact NH2-O 3.09Å; H86-G88 VanDerWaalsContact C-N 3.29Å; H86-G88 PolarHBondContact O-N 3.48Å
89V96.3Very high95.6Very high18 Ų1890.1 Ų90.111%0.10949%0.485CS..  trans-111-48.9-179.7178.40000113.5K72 R73 V75 T80 H87K72-V89 HydrophobicContact CD-CG1 4.38Å; K72-V89 HydrophobicContact CG-CG1 3.75Å; R73-V89 HydrophobicContact CB-CG1 4.31Å; R73-V89 PolarHBondContact N-O 3.08Å; R73-V89 VanDerWaalsContact N-O 3.12Å; V75-V89 HydrophobicContact CG2-CG1 3.96Å; V75-V89 HydrophobicContact CG2-CG2 3.81Å; T80-V89 HydrophobicContact CG2-CG2 3.87Å; H87-V89 PolarHBondContact O-N 3.47Å
90N95.5Very high95.7Very high118 Ų11888.1 Ų88.163%0.63147%0.469SS*.SBendtrans-91.2-39.1-165.4-68.6-25.4000114.4L92N90-L92 PolarHBondContact O-N 2.97Å
91Q95.2Very high95.9Very high177 Ų17787.9 Ų87.983%0.82747%0.467SS*.SBendtrans-83.27.4-171.7-63.6-175.9-1.100114
92L95.3Very high96.1Very high63 Ų6378 Ų7833%0.3343%0.428SS..  trans-68135.4-179.9-60.1177.5000112R71 R73 N90R71-L92 PolarHBondContact N-O 2.93Å; R71-L92 VanDerWaalsContact N-O 3.12Å; R71-L92 WeakPolarHBondContact O-CB 3.38Å; R73-L92 HydrophobicContact CB-CD1 3.79Å; N90-L92 PolarHBondContact O-N 2.97Å
93K94.9Very high96.2Very high168 Ų16875 Ų7573%0.7340%0.398SS*.  trans-105.7140.4174.8-50.2-55.7177-175.20109.5
94F94.4Very high96.3Very high72 Ų7268 Ų6832%0.31637%0.367SS..  trans-74.5137179-167.9-132.9000110.8R71 R96 V101R71-F94 HydrophobicContact CB-CB 4.23Å; F94-R96 VanDerWaalsContact C-N 3.25Å; F94-R96 HydrophobicContact CD1-CB 3.99Å; F94-R96 WeakPolarHBondContact CD1-O 3.46Å; F94-R96 HydrophobicContact CE1-CB 3.68Å; F94-R96 HydrophobicContact CE1-CG 4.2Å; F94-R96 VanDerWaalsContact CE1-NE 3.27Å; F94-R96 HydrophobicContact CZ-CB 4.37Å; F94-R96 HydrophobicContact CZ-CG 4.4Å; F94-R96 PolarHBondContact O-N 3.33Å; F94-V101 HydrophobicContact CD1-CG2 4.02Å; F94-V101 HydrophobicContact CE1-CG2 3.68Å
95A92.9Very high96.4Very high90 Ų9068.2 Ų68.274%0.74435%0.354SS*.SBendtrans-64.4-28.2-176.800000113.6
96R94.5Very high96.5Very high90 Ų9062.6 Ų62.634%0.3432%0.32SS..SBendtrans-98.3146.9179.7-57178.8-63.1178.816.9110.5F94 E104F94-R96 VanDerWaalsContact C-N 3.25Å; F94-R96 HydrophobicContact CD1-CB 3.99Å; F94-R96 WeakPolarHBondContact CD1-O 3.46Å; F94-R96 HydrophobicContact CE1-CB 3.68Å; F94-R96 HydrophobicContact CE1-CG 4.2Å; F94-R96 VanDerWaalsContact CE1-NE 3.27Å; F94-R96 HydrophobicContact CZ-CB 4.37Å; F94-R96 HydrophobicContact CZ-CG 4.4Å; F94-R96 PolarHBondContact O-N 3.33Å; R96-E104 VanDerWaalsContact CZ-CD 3.49Å; R96-E104 IonicContact CZ-OE1 2.96Å; R96-E104 IonicContact CZ-OE2 3.62Å; R96-E104 IonicContact NE-OE1 3.35Å; R96-E104 IonicContact NH1-OE1 3.98Å; R96-E104 PolarHBondContact NH1-OE1 3.01Å; R96-E104 IonicContact NH1-OE2 3.57Å; R96-E104 PolarHBondContact NH1-OE2 2.87Å; R96-E104 IonicContact NH2-OE1 3.65Å; R96-E104 IonicContact NH2-OE2 2.67Å; R96-E104 PolarHBondContact NH2-OE2 2.94Å
97S96.3Very high96.6Very high41 Ų4157.7 Ų57.729%0.28730%0.298SS..  trans-66.6153.6175.465.40000112.1Q99 S100 V101 S171S97-Q99 PolarHBondContact O-N 3.49Å; S97-S100 WeakPolarHBondContact O-CB 3.48Å; S97-S100 PolarHBondContact O-N 3.01Å; S97-S100 PolarHBondContact OG-N 3.45Å; S97-V101 PolarHBondContact O-N 3.38Å; S97-V101 VanDerWaalsContact O-N 3.13Å; S97-S171 PolarHBondContact N-OG 3.37Å; S97-S171 VanDerWaalsContact N-OG 3.11Å
98L98Very high96.7Very high50 Ų5062 Ų6226%0.26231%0.311SS..Hα-helixtrans-58.2-30.8174.3-64.1174.1000112.3V66 V101 A102 K128 F130V66-L98 HydrophobicContact CG1-CB 4.34Å; V66-L98 HydrophobicContact CG1-CD2 3.73Å; L98-V101 PolarHBondContact O-N 3.05Å; L98-A102 PolarHBondContact O-N 2.95Å; L98-K128 HydrophobicContact CD1-CD 3.83Å; L98-K128 HydrophobicContact CD1-CG 4.3Å; L98-F130 HydrophobicContact CB-CE2 4.15Å; L98-F130 HydrophobicContact CB-CZ 4.31Å
99Q98.3Very high96.8Very high53 Ų5366.2 Ų66.225%0.24832%0.32CS..Hα-helixtrans-64.6-44.2174.9-173.1177.50.600111.8S97 V101 A102 E103 S118 F130 A167S97-Q99 PolarHBondContact O-N 3.49Å; Q99-V101 VanDerWaalsContact C-N 3.28Å; Q99-V101 PolarHBondContact O-N 3.18Å; Q99-A102 WeakPolarHBondContact O-CB 3.45Å; Q99-A102 PolarHBondContact O-N 2.92Å; Q99-E103 WeakPolarHBondContact O-CG 3.47Å; Q99-E103 PolarHBondContact O-N 2.88Å; Q99-S118 WeakPolarHBondContact CG-OG 3.13Å; Q99-S118 PolarHBondContact NE2-O 3.39Å; Q99-S118 PolarHBondContact NE2-OG 3.32Å; Q99-F130 HydrophobicContact CB-CD1 4.13Å; Q99-F130 HydrophobicContact CB-CE1 3.68Å; Q99-F130 HydrophobicContact CB-CZ 3.99Å; Q99-F130 HydrophobicContact CG-CD1 3.9Å; Q99-F130 HydrophobicContact CG-CE1 3.9Å; Q99-A167 HydrophobicContact CB-CB 4.05Å; Q99-A167 HydrophobicContact CG-CB 3.8Å
100S97.8Very high96.8Very high2 Ų266 Ų661%0.01432%0.318CS..Hα-helixtrans-61.7-38.1173.8-170.90000111.6S97 A102 E103 E104S97-S100 WeakPolarHBondContact O-CB 3.48Å; S97-S100 PolarHBondContact O-N 3.01Å; S97-S100 PolarHBondContact OG-N 3.45Å; S100-A102 VanDerWaalsContact C-N 3.34Å; S100-E103 PolarHBondContact O-N 3.3Å; S100-E104 WeakPolarHBondContact O-CG 3.34Å; S100-E104 PolarHBondContact O-N 3.4Å
101V98.1Very high96.7Very high21 Ų2162 Ų6213%0.12731%0.305CS..Hα-helixtrans-65.2-38.4175.8176.50000111.4V66 F94 S97 L98 Q99 E104 R105V66-V101 HydrophobicContact CG1-CB 4.33Å; V66-V101 HydrophobicContact CG1-CG1 3.95Å; F94-V101 HydrophobicContact CD1-CG2 4.02Å; F94-V101 HydrophobicContact CE1-CG2 3.68Å; S97-V101 PolarHBondContact O-N 3.38Å; S97-V101 VanDerWaalsContact O-N 3.13Å; L98-V101 PolarHBondContact O-N 3.05Å; Q99-V101 VanDerWaalsContact C-N 3.28Å; Q99-V101 PolarHBondContact O-N 3.18Å; V101-E104 PolarHBondContact O-N 2.54Å; V101-R105 WeakPolarHBondContact O-CG 3.42Å; V101-R105 PolarHBondContact O-N 3.48Å
102A98.4Very high96.8Very high0 Ų056.6 Ų56.60%029%0.291CS..Hα-helixtrans-63.2-44.9175.200000111.8V64 V66 L98 Q99 S100 E104 R105 A106 F130V64-A102 HydrophobicContact CB-CB 4.22Å; V64-A102 HydrophobicContact CG1-CB 4.17Å; V66-A102 HydrophobicContact CG2-CB 3.66Å; L98-A102 PolarHBondContact O-N 2.95Å; Q99-A102 WeakPolarHBondContact O-CB 3.45Å; Q99-A102 PolarHBondContact O-N 2.92Å; S100-A102 VanDerWaalsContact C-N 3.34Å; A102-E104 PolarHBondContact O-N 2.58Å; A102-R105 PolarHBondContact O-N 3.39Å; A102-A106 PolarHBondContact O-N 3.33Å; A102-F130 HydrophobicContact CB-CB 3.89Å; A102-F130 HydrophobicContact CB-CD2 3.69Å; A102-F130 HydrophobicContact CB-CG 3.99Å
103E98.6Very high96.9Very high0 Ų055.1 Ų55.10%028%0.283CS..Hα-helixtrans-59.7-44.8176-70.5174.7168.900111.7Q99 S100 A106 G107 V115 S118 V132 E160 T165Q99-E103 WeakPolarHBondContact O-CG 3.47Å; Q99-E103 PolarHBondContact O-N 2.88Å; S100-E103 PolarHBondContact O-N 3.3Å; E103-A106 PolarHBondContact O-N 3.18Å; E103-G107 PolarHBondContact O-N 3.02Å; E103-V115 HydrophobicContact CB-CG1 4.23Å; E103-V115 HydrophobicContact CG-CG1 4.19Å; E103-S118 VanDerWaalsContact CD-OG 3.3Å; E103-S118 WeakPolarHBondContact CG-OG 3.35Å; E103-S118 WeakPolarHBondContact OE1-CB 3.08Å; E103-S118 PolarHBondContact OE1-N 3.22Å; E103-S118 PolarHBondContact OE1-OG 2.88Å; E103-V132 HydrophobicContact CG-CG1 4.44Å; E103-V132 HydrophobicContact CG-CG2 4.49Å; E103-E160 HydrophobicContact CB-CB 3.97Å; E103-T165 WeakPolarHBondContact OE2-CB 3.47Å; E103-T165 WeakPolarHBondContact OE2-CG2 3.5Å; E103-T165 PolarHBondContact OE2-OG1 3.2Å
104E98.2Very high97.1Very high10 Ų1048 Ų485%0.04725%0.252CS..Hα-helixtrans-64.8-39.7177.5-74.8171.1-144.900112.8R96 S100 V101 A102 G107 R108 E160R96-E104 VanDerWaalsContact CZ-CD 3.49Å; R96-E104 IonicContact CZ-OE1 2.96Å; R96-E104 IonicContact CZ-OE2 3.62Å; R96-E104 IonicContact NE-OE1 3.35Å; R96-E104 IonicContact NH1-OE1 3.98Å; R96-E104 PolarHBondContact NH1-OE1 3.01Å; R96-E104 IonicContact NH1-OE2 3.57Å; R96-E104 PolarHBondContact NH1-OE2 2.87Å; R96-E104 IonicContact NH2-OE1 3.65Å; R96-E104 IonicContact NH2-OE2 2.67Å; R96-E104 PolarHBondContact NH2-OE2 2.94Å; S100-E104 WeakPolarHBondContact O-CG 3.34Å; S100-E104 PolarHBondContact O-N 3.4Å; V101-E104 PolarHBondContact O-N 2.54Å; A102-E104 PolarHBondContact O-N 2.58Å; E104-G107 PolarHBondContact O-N 3.15Å; E104-R108 WeakPolarHBondContact O-CB 3.43Å; E104-R108 VanDerWaalsContact O-CG 3.28Å; E104-R108 WeakPolarHBondContact O-CG 3.36Å; E104-R108 PolarHBondContact O-N 3.2Å; E104-E160 HydrophobicContact CG-CG 4.39Å
105R98.4Very high97.3Very high113 Ų11344.7 Ų44.743%0.42624%0.238SC..Hα-helixtrans-61.3-45.8174.7-75175.7179.3-162.9-6.3111.1V64 R65 V101 A102 H109V64-R105 HydrophobicContact CG1-CB 4.1Å; R65-R105 PolarHBondContact O-NH1 3.5Å; V101-R105 WeakPolarHBondContact O-CG 3.42Å; V101-R105 PolarHBondContact O-N 3.48Å; A102-R105 PolarHBondContact O-N 3.39Å; R105-H109 PolarHBondContact O-N 3.37Å; R105-H109 VanDerWaalsContact O-N 3.12Å
106A98.2Very high97.5Very high0 Ų041.5 Ų41.50%021%0.208CC..Hα-helixtrans-62.9-46.1175.500000112.5V64 A102 E103 R108 H109 C110 V132V64-A106 HydrophobicContact CG2-CB 4.07Å; A102-A106 PolarHBondContact O-N 3.33Å; E103-A106 PolarHBondContact O-N 3.18Å; A106-R108 VanDerWaalsContact C-N 3.34Å; A106-R108 PolarHBondContact O-N 3.23Å; A106-H109 PolarHBondContact O-N 3.39Å; A106-C110 WeakPolarHBondContact O-CB 3.44Å; A106-C110 PolarHBondContact O-N 3.36Å; A106-V132 HydrophobicContact CB-CB 4.01Å; A106-V132 HydrophobicContact CB-CG1 3.96Å; A106-V132 HydrophobicContact CB-CG2 3.95Å
107G97.7Very high97.7Very high2 Ų238.4 Ų38.42%0.02120%0.198CC..Hα-helixtrans-65.7-32.9-179.600000113.7E103 E104 C110E103-G107 PolarHBondContact O-N 3.02Å; E104-G107 PolarHBondContact O-N 3.15Å; G107-C110 CarbonylContact O-C 3.57Å
108R97.6Very high97.8Very high174 Ų17436.5 Ų36.566%0.65719%0.185SC*.Hα-helixtrans-70.3-44.8173.2-73.6179.5-175.8-178.5-1.4112.4E104 A106 M161E104-R108 WeakPolarHBondContact O-CB 3.43Å; E104-R108 VanDerWaalsContact O-CG 3.28Å; E104-R108 WeakPolarHBondContact O-CG 3.36Å; E104-R108 PolarHBondContact O-N 3.2Å; A106-R108 VanDerWaalsContact C-N 3.34Å; A106-R108 PolarHBondContact O-N 3.23Å; R108-M161 HydrophobicContact CB-CE 4.48Å; R108-M161 HydrophobicContact CG-CE 3.49Å; R108-M161 VanDerWaalsContact CG-CE 3.49Å
109H97.4Very high97.9Very high129 Ų12934.2 Ų34.260%0.59717%0.173SC*.Hα-helixtrans-67.8-41.3179.1-173.278000111.6L36 R105 A106L36-H109 HydrophobicContact CD1-CB 3.66Å; L36-H109 HydrophobicContact CD2-CB 4.17Å; L36-H109 WeakPolarHBondContact CD2-CD2 3.41Å; R105-H109 PolarHBondContact O-N 3.37Å; R105-H109 VanDerWaalsContact O-N 3.12Å; A106-H109 PolarHBondContact O-N 3.39Å
110C96.6Very high97.9Very high12 Ų1234.3 Ų34.38%0.08117%0.171CC..THydrogen-bonded Turntrans-102.658.9-179.2-59.60000111.7Y62 A106 G107 A112 L113 L134Y62-C110 VanDerWaalsContact CZ-SG 3.5Å; A106-C110 WeakPolarHBondContact O-CB 3.44Å; A106-C110 PolarHBondContact O-N 3.36Å; G107-C110 CarbonylContact O-C 3.57Å; C110-A112 VanDerWaalsContact C-N 3.27Å; C110-A112 PolarHBondContact O-N 2.87Å; C110-A112 VanDerWaalsContact O-N 3.16Å; C110-L113 HydrophobicContact CB-CB 4.15Å; C110-L113 HydrophobicContact CB-CD1 3.89Å; C110-L113 HydrophobicContact CB-CG 4.15Å; C110-L113 PolarHBondContact O-N 3.4Å; C110-L134 HydrophobicContact CB-CD2 3.79Å
111G94.9Very high97.9Very high35 Ų3534.2 Ų34.236%0.36117%0.17SC..THydrogen-bonded Turntrans-58.1-31.4-170.700000115.6L113G111-L113 VanDerWaalsContact C-N 3.32Å
112A96.7Very high97.8Very high64 Ų6433.2 Ų33.253%0.52916%0.164SC..THydrogen-bonded Turntrans-71.5-26.717700000113.2C110 R114 P137C110-A112 VanDerWaalsContact C-N 3.27Å; C110-A112 PolarHBondContact O-N 2.87Å; C110-A112 VanDerWaalsContact O-N 3.16Å; A112-R114 PolarHBondContact O-NH1 3.46Å; A112-P137 WeakPolarHBondContact O-CD 3.21Å
113L97.9Very high97.8Very high32 Ų3236.6 Ų36.617%0.16818%0.18CC..SBendtrans-84.4171.5-175.8-57.6-176.1000112V60 C110 G111 L134 D136V60-L113 HydrophobicContact CG2-CD1 3.52Å; C110-L113 HydrophobicContact CB-CB 4.15Å; C110-L113 HydrophobicContact CB-CD1 3.89Å; C110-L113 HydrophobicContact CB-CG 4.15Å; C110-L113 PolarHBondContact O-N 3.4Å; G111-L113 VanDerWaalsContact C-N 3.32Å; L113-L134 HydrophobicContact CB-CB 4.03Å; L113-L134 HydrophobicContact CB-CD2 3.92Å; L113-L134 HydrophobicContact CD1-CB 4.06Å; L113-L134 HydrophobicContact CD1-CD2 4.26Å; L113-D136 HydrophobicContact CD2-CB 3.74Å
114R98.3Very high97.7Very high19 Ų1937.3 Ų37.37%0.07218%0.184CC..EExtended strand (participates in β ladder)trans-119.6122.6177-60.8-66.5173.1-99.2-8.4110.2A112 L116 L134 I135 P137 I151 H156A112-R114 PolarHBondContact O-NH1 3.46Å; R114-L116 PolarHBondContact O-N 3.28Å; R114-L134 CarbonylContact O-C 3.52Å; R114-L134 VanDerWaalsContact O-CA 3.25Å; R114-L134 WeakPolarHBondContact O-CA 3.28Å; R114-I135 PolarHBondContact N-O 3.14Å; R114-I135 PolarHBondContact O-N 3.31Å; R114-P137 HydrophobicContact CG-CB 4.15Å; R114-P137 HydrophobicContact CG-CG 4.04Å; R114-I151 HydrophobicContact CB-CD1 3.8Å; R114-I151 HydrophobicContact CB-CG1 3.94Å; R114-I151 HydrophobicContact CG-CG1 4.45Å; R114-H156 WeakPolarHBondContact CD-O 3.28Å
115V98.5Very high97.6Very high2 Ų241.3 Ų41.31%0.01221%0.213CC..EExtended strand (participates in β ladder)trans-70.7118.6173.7179.60000109.5E103 V132 L134 R159 E160 T165E103-V115 HydrophobicContact CB-CG1 4.23Å; E103-V115 HydrophobicContact CG-CG1 4.19Å; V115-V132 HydrophobicContact CG1-CG1 3.76Å; V115-V132 HydrophobicContact CG2-CG1 4.32Å; V115-L134 HydrophobicContact CG2-CD2 3.98Å; V115-L134 HydrophobicContact CG2-CG 4.36Å; V115-R159 PolarHBondContact O-NH1 3.26Å; V115-E160 HydrophobicContact CB-CB 4.19Å; V115-E160 HydrophobicContact CB-CG 4.46Å; V115-E160 HydrophobicContact CG1-CB 4.33Å; V115-E160 HydrophobicContact CG2-CB 4.19Å; V115-E160 HydrophobicContact CG2-CG 3.99Å; V115-T165 HydrophobicContact CG1-CG2 4.06Å
116L98Very high97.5Very high22 Ų2238.7 Ų38.712%0.11521%0.21CC..EExtended strand (participates in β ladder)trans-83.2-61.4174.3-179.968.4000110L51 Y59 R114 I133 I135 W150 I151 R159L51-L116 WeakPolarHBondContact O-CD2 3.24Å; Y59-L116 HydrophobicContact CE1-CD2 4.07Å; R114-L116 PolarHBondContact O-N 3.28Å; L116-I133 HydrophobicContact CB-CB 4.37Å; L116-I133 HydrophobicContact CB-CG2 4.18Å; L116-I133 HydrophobicContact CD2-CG2 3.96Å; L116-I133 PolarHBondContact N-O 2.87Å; L116-I135 HydrophobicContact CB-CD1 4.14Å; L116-I135 HydrophobicContact CB-CG1 4.4Å; L116-I135 HydrophobicContact CD1-CD1 4.11Å; L116-I135 HydrophobicContact CD2-CD1 4.07Å; L116-I135 HydrophobicContact CG-CD1 4.33Å; L116-W150 HydrophobicContact CD1-CH2 4.41Å; L116-W150 HydrophobicContact CD1-CZ2 3.97Å; L116-I151 HydrophobicContact CB-CD1 4.37Å; L116-I151 HydrophobicContact CD1-CD1 4.04Å; L116-R159 PolarHBondContact O-NH1 3.11Å
117N98.3Very high97.5Very high25 Ų2541.9 Ų41.913%0.13422%0.222CC..EExtended strand (participates in β ladder)trans-164.5178.2-175.3-142.8-31.3000110.6L51 I133 S166L51-N117 HydrophobicContact CB-CB 4.08Å; L51-N117 WeakPolarHBondContact CD2-ND2 3.39Å; N117-I133 PolarHBondContact O-N 3.07Å; N117-S166 PolarHBondContact OD1-OG 2.66Å
118S98.5Very high97.5Very high2 Ų244.3 Ų44.31%0.01423%0.232CC..EExtended strand (participates in β ladder)trans-145.8165.1176.564.20000112.5L51 Q99 E103 E131L51-S118 WeakPolarHBondContact CD1-O 3.38Å; Q99-S118 WeakPolarHBondContact CG-OG 3.13Å; Q99-S118 PolarHBondContact NE2-O 3.39Å; Q99-S118 PolarHBondContact NE2-OG 3.32Å; E103-S118 VanDerWaalsContact CD-OG 3.3Å; E103-S118 WeakPolarHBondContact CG-OG 3.35Å; E103-S118 WeakPolarHBondContact OE1-CB 3.08Å; E103-S118 PolarHBondContact OE1-N 3.22Å; E103-S118 PolarHBondContact OE1-OG 2.88Å; S118-E131 CarbonylContact C-O 3.51Å; S118-E131 WeakPolarHBondContact CA-O 3.39Å; S118-E131 WeakPolarHBondContact CB-O 3.36Å
119Y98.6Very high97.6Very high2 Ų236.2 Ų36.21%0.00820%0.201CC..EExtended strand (participates in β ladder)trans-149.3153.9174.654.3-84.4000112.7P42 R44 K47 A48 L51 V121 F130 E131 I133P42-Y119 VanDerWaalsContact CB-OH 3.25Å; P42-Y119 WeakPolarHBondContact CB-OH 3.33Å; R44-Y119 HydrophobicContact CB-CD2 4.25Å; R44-Y119 HydrophobicContact CB-CE2 3.76Å; R44-Y119 HydrophobicContact CG-CE2 4.31Å; K47-Y119 HydrophobicContact CB-CD2 4.47Å; K47-Y119 HydrophobicContact CG-CD1 4.49Å; K47-Y119 HydrophobicContact CG-CD2 4.14Å; K47-Y119 HydrophobicContact CG-CG 3.87Å; A48-Y119 HydrophobicContact CB-CE1 3.81Å; L51-Y119 HydrophobicContact CD1-CD1 3.73Å; L51-Y119 HydrophobicContact CD1-CG 4.15Å; Y119-V121 HydrophobicContact CD2-CG1 3.67Å; Y119-V121 HydrophobicContact CE2-CG1 3.55Å; Y119-F130 CarbonylContact O-C 3.44Å; Y119-F130 VanDerWaalsContact O-CA 3.28Å; Y119-F130 WeakPolarHBondContact O-CA 3.49Å; Y119-E131 HydrophobicContact CD2-CB 4.31Å; Y119-E131 HydrophobicContact CE1-CB 4.05Å; Y119-E131 HydrophobicContact CE2-CB 3.76Å; Y119-E131 WeakPolarHBondContact CE2-OE2 3.23Å; Y119-E131 PolarHBondContact N-O 2.83Å; Y119-E131 PolarHBondContact O-N 2.86Å; Y119-E131 PolarHBondContact OH-OE2 2.84Å; Y119-I133 HydrophobicContact CD1-CD1 4.28Å; Y119-I133 HydrophobicContact CE1-CD1 4.01Å; Y119-I133 HydrophobicContact CE1-CG1 3.99Å
120W98.4Very high97.6Very high55 Ų5530.5 Ų30.521%0.20818%0.175CC..EExtended strand (participates in β ladder)trans-74.3137.9175.9178.595.5000111.3W11 K14 L23 R44 G122 E123 F130W11-W120 HydrophobicContact CZ3-CZ3 4Å; K14-W120 HydrophobicContact CD-CH2 4.2Å; K14-W120 HydrophobicContact CD-CZ3 3.93Å; L23-W120 HydrophobicContact CD1-CH2 4.01Å; L23-W120 HydrophobicContact CD2-CH2 4.23Å; L23-W120 HydrophobicContact CD2-CZ3 4.49Å; R44-W120 PolarHBondContact NH1-O 3.16Å; W120-G122 VanDerWaalsContact CE2-C 3.45Å; W120-G122 PolarHBondContact NE1-O 2.97Å; W120-E123 HydrophobicContact CZ2-CB 4.26Å; W120-E123 HydrophobicContact CZ2-CG 3.93Å; W120-E123 PolarHBondContact NE1-OE2 3.18Å; W120-F130 HydrophobicContact CB-CD1 4.12Å; W120-F130 HydrophobicContact CB-CE1 3.98Å; W120-F130 HydrophobicContact CG-CE1 4.5Å
121V97.9Very high97.7Very high0 Ų030 Ų300%017%0.171CC..EExtended strand (participates in β ladder)trans-125-15.5-179.5-650000114.4L23 Y30 Y119 F129 E131L23-V121 WeakPolarHBondContact CD2-O 3.36Å; Y30-V121 HydrophobicContact CE2-CG2 3.98Å; Y119-V121 HydrophobicContact CD2-CG1 3.67Å; Y119-V121 HydrophobicContact CE2-CG1 3.55Å; V121-F129 HydrophobicContact CG2-CB 3.76Å; V121-F129 WeakPolarHBondContact CG2-O 3.41Å; V121-F129 PolarHBondContact N-O 3.4Å; V121-E131 HydrophobicContact CG1-CB 3.93Å; V121-E131 HydrophobicContact CG1-CG 3.76Å; V121-E131 HydrophobicContact CG2-CG 4.26Å
122G97.3Very high97.9Very high0 Ų028.3 Ų28.30%015%0.154CC..EExtended strand (participates in β ladder)trans174.1163.9179.300000111.6W120 F129W120-G122 VanDerWaalsContact CE2-C 3.45Å; W120-G122 PolarHBondContact NE1-O 2.97Å; G122-F129 PolarHBondContact O-N 2.85Å
123E97.6Very high98Very high71 Ų7125.2 Ų25.233%0.33213%0.129SC..EExtended strand (participates in β ladder)trans-149.9151.3168.168.5-164.7-151.700110.9C27 W120 Y127 K128C27-E123 PolarHBondContact SG-O 2.69Å; C27-E123 VanDerWaalsContact SG-O 3.4Å; W120-E123 HydrophobicContact CZ2-CB 4.26Å; W120-E123 HydrophobicContact CZ2-CG 3.93Å; W120-E123 PolarHBondContact NE1-OE2 3.18Å; E123-Y127 WeakPolarHBondContact CA-O 3.27Å; E123-Y127 WeakPolarHBondContact CB-O 3.47Å; E123-K128 HydrophobicContact CB-CB 4.39Å; E123-K128 HydrophobicContact CB-CG 3.86Å; E123-K128 IonicContact OE1-NZ 3.18Å; E123-K128 WeakPolarHBondContact OE2-CD 3.33Å; E123-K128 VanDerWaalsContact OE2-CE 3.22Å; E123-K128 WeakPolarHBondContact OE2-CE 3.41Å; E123-K128 IonicContact OE2-NZ 3.62Å; E123-K128 PolarHBondContact OE2-NZ 3.05Å
124D96.4Very high98Very high14 Ų1423.7 Ų23.78%0.07512%0.121CC..  trans-120.7-171.8167.464.932000108.8R31 R68 T126 Y127R31-D124 VanDerWaalsContact CD-OD2 3.27Å; R31-D124 WeakPolarHBondContact CD-OD2 3.49Å; R31-D124 IonicContact CZ-OD2 3.62Å; R31-D124 IonicContact NE-OD2 2.78Å; R31-D124 PolarHBondContact NE-OD2 3.31Å; R31-D124 IonicContact NH1-OD2 2.73Å; R31-D124 IonicContact NH2-OD2 2.7Å; R68-D124 WeakPolarHBondContact CD-O 3.24Å; R68-D124 PolarHBondContact NH1-O 3.4Å; D124-T126 VanDerWaalsContact C-N 3.26Å; D124-T126 PolarHBondContact O-N 3.14Å; D124-T126 WeakPolarHBondContact OD1-CA 3.33Å; D124-T126 PolarHBondContact OD1-N 2.91Å; D124-Y127 PolarHBondContact N-O 3.44Å; D124-Y127 PolarHBondContact OD1-N 3.35Å
125S95.9Very high98Very high94 Ų9422.9 Ų22.966%0.65712%0.118SC*.SBendtrans-59.8-33.118052.80000113.6R68R68-S125 WeakPolarHBondContact CD-O 3.45Å
126T96.9Very high98Very high59 Ų5924.9 Ų24.936%0.36213%0.128SC..SBendtrans-103.7-29-170.4-49.20000113.3R67 R68 D124R67-T126 CarbonylContact C-O 3.59Å; R67-T126 WeakPolarHBondContact CA-O 3.34Å; R67-T126 HydrophobicContact CG-CG2 4.46Å; R68-T126 WeakPolarHBondContact CB-O 3.24Å; R68-T126 PolarHBondContact N-O 3.08Å; D124-T126 VanDerWaalsContact C-N 3.26Å; D124-T126 PolarHBondContact O-N 3.14Å; D124-T126 WeakPolarHBondContact OD1-CA 3.33Å; D124-T126 PolarHBondContact OD1-N 2.91Å
127Y98.3Very high98Very high67 Ų6724 Ų2426%0.26312%0.124SC..EExtended strand (participates in β ladder)trans-133.5148.9-170.3-62.7-74.7000112.3R65 V66 R67 E123 D124R65-Y127 HydrophobicContact CB-CD1 4.36Å; R65-Y127 HydrophobicContact CG-CD1 4.1Å; R65-Y127 HydrophobicContact CG-CE1 4.43Å; V66-Y127 CarbonylContact O-C 3.55Å; V66-Y127 WeakPolarHBondContact O-CA 3.41Å; R67-Y127 HydrophobicContact CB-CD1 4.21Å; R67-Y127 HydrophobicContact CB-CE1 4.08Å; R67-Y127 HydrophobicContact CG-CE1 4.39Å; E123-Y127 WeakPolarHBondContact CA-O 3.27Å; E123-Y127 WeakPolarHBondContact CB-O 3.47Å; D124-Y127 PolarHBondContact N-O 3.44Å; D124-Y127 PolarHBondContact OD1-N 3.35Å
128K98.4Very high97.9Very high53 Ų5329.6 Ų29.623%0.2315%0.147CC..EExtended strand (participates in β ladder)trans-109139.7160-66.5-166.2-175-122.90109.1R65 V66 R68 L98 E123 F130R65-K128 WeakPolarHBondContact CA-O 3.25Å; V66-K128 PolarHBondContact N-O 3.49Å; V66-K128 PolarHBondContact O-N 2.9Å; R68-K128 HydrophobicContact CG-CG 3.74Å; L98-K128 HydrophobicContact CD1-CD 3.83Å; L98-K128 HydrophobicContact CD1-CG 4.3Å; E123-K128 HydrophobicContact CB-CB 4.39Å; E123-K128 HydrophobicContact CB-CG 3.86Å; E123-K128 IonicContact OE1-NZ 3.18Å; E123-K128 WeakPolarHBondContact OE2-CD 3.33Å; E123-K128 VanDerWaalsContact OE2-CE 3.22Å; E123-K128 WeakPolarHBondContact OE2-CE 3.41Å; E123-K128 IonicContact OE2-NZ 3.62Å; E123-K128 PolarHBondContact OE2-NZ 3.05Å; K128-F130 HydrophobicContact CB-CD2 4.49Å; K128-F130 HydrophobicContact CB-CE2 3.68Å; K128-F130 HydrophobicContact CB-CZ 4.09Å; K128-F130 HydrophobicContact CD-CZ 4.35Å
129F98.5Very high97.9Very high3 Ų332 Ų321%0.01316%0.158CC..EExtended strand (participates in β ladder)trans-109.2131.8-179.7-56.5-87.8000110Y30 R31 V64 R65 V121 G122Y30-F129 HydrophobicContact CD2-CB 4.06Å; Y30-F129 HydrophobicContact CD2-CD1 4.02Å; Y30-F129 HydrophobicContact CD2-CD2 4.24Å; Y30-F129 AromaticContact CD2-CG 3.85Å; Y30-F129 HydrophobicContact CD2-CG 3.85Å; Y30-F129 HydrophobicContact CG-CD1 4.31Å; R31-F129 HydrophobicContact CG-CZ 4.22Å; V64-F129 WeakPolarHBondContact O-CA 3.31Å; R65-F129 HydrophobicContact CB-CD1 3.56Å; R65-F129 HydrophobicContact CB-CE1 3.51Å; R65-F129 HydrophobicContact CB-CZ 4.47Å; V121-F129 HydrophobicContact CG2-CB 3.76Å; V121-F129 WeakPolarHBondContact CG2-O 3.41Å; V121-F129 PolarHBondContact N-O 3.4Å; G122-F129 PolarHBondContact O-N 2.85Å
130F98.8Very high97.9Very high10 Ų1038.7 Ų38.74%0.04419%0.188CC..EExtended strand (participates in β ladder)trans-126.5145.6177.1-61.2-86.2000110.1R63 V64 V66 L98 Q99 A102 Y119 W120 K128R63-F130 CarbonylContact C-O 3.53Å; R63-F130 WeakPolarHBondContact CA-O 3.3Å; V64-F130 PolarHBondContact N-O 3.22Å; V64-F130 PolarHBondContact O-N 3.32Å; V66-F130 HydrophobicContact CG2-CD2 4.42Å; L98-F130 HydrophobicContact CB-CE2 4.15Å; L98-F130 HydrophobicContact CB-CZ 4.31Å; Q99-F130 HydrophobicContact CB-CD1 4.13Å; Q99-F130 HydrophobicContact CB-CE1 3.68Å; Q99-F130 HydrophobicContact CB-CZ 3.99Å; Q99-F130 HydrophobicContact CG-CD1 3.9Å; Q99-F130 HydrophobicContact CG-CE1 3.9Å; A102-F130 HydrophobicContact CB-CB 3.89Å; A102-F130 HydrophobicContact CB-CD2 3.69Å; A102-F130 HydrophobicContact CB-CG 3.99Å; Y119-F130 CarbonylContact O-C 3.44Å; Y119-F130 VanDerWaalsContact O-CA 3.28Å; Y119-F130 WeakPolarHBondContact O-CA 3.49Å; W120-F130 HydrophobicContact CB-CD1 4.12Å; W120-F130 HydrophobicContact CB-CE1 3.98Å; W120-F130 HydrophobicContact CG-CE1 4.5Å; K128-F130 HydrophobicContact CB-CD2 4.49Å; K128-F130 HydrophobicContact CB-CE2 3.68Å; K128-F130 HydrophobicContact CB-CZ 4.09Å; K128-F130 HydrophobicContact CD-CZ 4.35Å
131E98.8Very high97.8Very high0 Ų037.8 Ų37.80%019%0.191CC..EExtended strand (participates in β ladder)trans-102.1124.7164.7-81.4176.2-175.500108.8T43 I61 Y62 R63 S118 Y119 V121T43-E131 WeakPolarHBondContact CB-OE1 3.29Å; T43-E131 WeakPolarHBondContact CB-OE2 3.29Å; T43-E131 PolarHBondContact N-OE2 3.06Å; T43-E131 PolarHBondContact OG1-OE1 3.44Å; T43-E131 PolarHBondContact OG1-OE2 3.42Å; I61-E131 HydrophobicContact CG2-CB 3.84Å; I61-E131 HydrophobicContact CG2-CG 3.91Å; Y62-E131 CarbonylContact O-C 3.56Å; Y62-E131 WeakPolarHBondContact O-CA 3.38Å; R63-E131 HydrophobicContact CB-CG 4.23Å; R63-E131 HydrophobicContact CG-CG 4.21Å; R63-E131 IonicContact CZ-OE1 3.4Å; R63-E131 IonicContact NE-OE1 3.05Å; R63-E131 PolarHBondContact NE-OE1 3.26Å; R63-E131 IonicContact NH2-OE1 2.89Å; R63-E131 PolarHBondContact NH2-OE1 3.43Å; S118-E131 CarbonylContact C-O 3.51Å; S118-E131 WeakPolarHBondContact CA-O 3.39Å; S118-E131 WeakPolarHBondContact CB-O 3.36Å; Y119-E131 HydrophobicContact CD2-CB 4.31Å; Y119-E131 HydrophobicContact CE1-CB 4.05Å; Y119-E131 HydrophobicContact CE2-CB 3.76Å; Y119-E131 WeakPolarHBondContact CE2-OE2 3.23Å; Y119-E131 PolarHBondContact N-O 2.83Å; Y119-E131 PolarHBondContact O-N 2.86Å; Y119-E131 PolarHBondContact OH-OE2 2.84Å; V121-E131 HydrophobicContact CG1-CB 3.93Å; V121-E131 HydrophobicContact CG1-CG 3.76Å; V121-E131 HydrophobicContact CG2-CG 4.26Å
132V98.8Very high97.8Very high0 Ų037.8 Ų37.80%019%0.191CC..EExtended strand (participates in β ladder)trans-103.1125.9178.9-174.20000107.7I61 Y62 V64 E103 A106 V115 L134I61-V132 WeakPolarHBondContact CA-O 3.49Å; Y62-V132 PolarHBondContact N-O 3Å; Y62-V132 PolarHBondContact O-N 3.2Å; V64-V132 HydrophobicContact CG2-CG2 4.17Å; E103-V132 HydrophobicContact CG-CG1 4.44Å; E103-V132 HydrophobicContact CG-CG2 4.49Å; A106-V132 HydrophobicContact CB-CB 4.01Å; A106-V132 HydrophobicContact CB-CG1 3.96Å; A106-V132 HydrophobicContact CB-CG2 3.95Å; V115-V132 HydrophobicContact CG1-CG1 3.76Å; V115-V132 HydrophobicContact CG2-CG1 4.32Å; V132-L134 HydrophobicContact CB-CD1 4.28Å; V132-L134 HydrophobicContact CG1-CD1 4.08Å; V132-L134 HydrophobicContact CG1-CG 4.2Å; V132-L134 WeakPolarHBondContact O-CD1 3.47Å
133I98.6Very high97.8Very high0 Ų043.7 Ų43.70%021%0.214CC..EExtended strand (participates in β ladder)trans-87.9118.1174.9-55.7161.8000107A48 L51 Y53 Y59 L116 N117 Y119A48-I133 HydrophobicContact CB-CD1 4.5Å; L51-I133 HydrophobicContact CB-CD1 3.9Å; Y53-I133 HydrophobicContact CD2-CG2 4.21Å; Y59-I133 HydrophobicContact CD1-CG2 3.92Å; Y59-I133 HydrophobicContact CE1-CG2 4.28Å; L116-I133 HydrophobicContact CB-CB 4.37Å; L116-I133 HydrophobicContact CB-CG2 4.18Å; L116-I133 HydrophobicContact CD2-CG2 3.96Å; L116-I133 PolarHBondContact N-O 2.87Å; N117-I133 PolarHBondContact O-N 3.07Å; Y119-I133 HydrophobicContact CD1-CD1 4.28Å; Y119-I133 HydrophobicContact CE1-CD1 4.01Å; Y119-I133 HydrophobicContact CE1-CG1 3.99Å
134L98.3Very high97.7Very high0 Ų049.9 Ų49.90%023%0.234CC..EExtended strand (participates in β ladder)trans-114.5154.2172.1-49.894.1000110.7V60 Y62 C110 L113 R114 V115 V132V60-L134 HydrophobicContact CG2-CB 3.76Å; V60-L134 HydrophobicContact CG2-CD1 4.33Å; V60-L134 PolarHBondContact N-O 3.07Å; V60-L134 PolarHBondContact O-N 3.48Å; Y62-L134 HydrophobicContact CD2-CD1 3.64Å; Y62-L134 HydrophobicContact CG-CD1 4.11Å; C110-L134 HydrophobicContact CB-CD2 3.79Å; L113-L134 HydrophobicContact CB-CB 4.03Å; L113-L134 HydrophobicContact CB-CD2 3.92Å; L113-L134 HydrophobicContact CD1-CB 4.06Å; L113-L134 HydrophobicContact CD1-CD2 4.26Å; R114-L134 CarbonylContact O-C 3.52Å; R114-L134 VanDerWaalsContact O-CA 3.25Å; R114-L134 WeakPolarHBondContact O-CA 3.28Å; V115-L134 HydrophobicContact CG2-CD2 3.98Å; V115-L134 HydrophobicContact CG2-CG 4.36Å; V132-L134 HydrophobicContact CB-CD1 4.28Å; V132-L134 HydrophobicContact CG1-CD1 4.08Å; V132-L134 HydrophobicContact CG1-CG 4.2Å; V132-L134 WeakPolarHBondContact O-CD1 3.47Å
135I98.2Very high97.7Very high2 Ų251.1 Ų51.11%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-121.4135.9178.1-66.4177.3000108.3G58 Y59 R114 L116 P137 I142 I151G58-I135 CarbonylContact O-C 3.55Å; G58-I135 WeakPolarHBondContact O-CA 3.37Å; Y59-I135 HydrophobicContact CD1-CD1 4.43Å; Y59-I135 HydrophobicContact CD1-CG1 3.94Å; Y59-I135 HydrophobicContact CE1-CD1 3.75Å; Y59-I135 HydrophobicContact CE1-CG1 3.78Å; Y59-I135 HydrophobicContact CG-CG1 4.49Å; R114-I135 PolarHBondContact N-O 3.14Å; R114-I135 PolarHBondContact O-N 3.31Å; L116-I135 HydrophobicContact CB-CD1 4.14Å; L116-I135 HydrophobicContact CB-CG1 4.4Å; L116-I135 HydrophobicContact CD1-CD1 4.11Å; L116-I135 HydrophobicContact CD2-CD1 4.07Å; L116-I135 HydrophobicContact CG-CD1 4.33Å; I135-P137 WeakPolarHBondContact O-CD 3.48Å; I135-I142 HydrophobicContact CG2-CB 4.26Å; I135-I142 HydrophobicContact CG2-CD1 3.9Å; I135-I142 HydrophobicContact CG2-CG1 3.83Å; I135-I142 HydrophobicContact CG2-CG2 3.48Å; I135-I142 VanDerWaalsContact CG2-CG2 3.48Å; I135-I151 HydrophobicContact CB-CG2 4.34Å; I135-I151 HydrophobicContact CD1-CD1 4.03Å; I135-I151 HydrophobicContact CD1-CG2 4.06Å; I135-I151 HydrophobicContact CG2-CG2 3.93Å
136D98.1Very high97.6Very high43 Ų4351.4 Ų51.423%0.2324%0.24CC..  trans-81.3111.3167.1178.94.2000110.1G58 L113 F138 H139 I142G58-D136 PolarHBondContact O-N 2.8Å; L113-D136 HydrophobicContact CD2-CB 3.74Å; D136-F138 PolarHBondContact O-N 2.71Å; D136-F138 PolarHBondContact OD1-N 3.41Å; D136-H139 HydrophobicContact CB-CB 4.12Å; D136-I142 WeakPolarHBondContact O-CG1 3.42Å
137P97.9Very high97.5Very high4 Ų453.2 Ų53.23%0.02625%0.248CC..THydrogen-bonded Turntrans-72.9-14-178.932.5-36.4000113.9A112 R114 I135 R143 T152A112-P137 WeakPolarHBondContact O-CD 3.21Å; R114-P137 HydrophobicContact CG-CB 4.15Å; R114-P137 HydrophobicContact CG-CG 4.04Å; I135-P137 WeakPolarHBondContact O-CD 3.48Å; P137-R143 WeakPolarHBondContact O-CD 3.39Å; P137-R143 VanDerWaalsContact O-CG 3.23Å; P137-R143 WeakPolarHBondContact O-CG 3.46Å; P137-T152 HydrophobicContact CB-CG2 4.18Å
138F96.8Very high97.3Very high142 Ų14250.3 Ų50.362%0.62324%0.237SC*.THydrogen-bonded Turntrans-90.9-17.5-179.4-59-71.7000112.4D136 K140D136-F138 PolarHBondContact O-N 2.71Å; D136-F138 PolarHBondContact OD1-N 3.41Å; F138-K140 PolarHBondContact O-N 3.3Å
139H98Very high97.2Very high52 Ų5252.5 Ų52.524%0.24125%0.248CC..  trans-67.7131-178.8-160.1-76.7000113.1Q57 D136 A141 I142 R143Q57-H139 WeakPolarHBondContact CB-CE1 3.28Å; Q57-H139 WeakPolarHBondContact CB-NE2 3.42Å; Q57-H139 PolarHBondContact OE1-CE1 3.4Å; D136-H139 HydrophobicContact CB-CB 4.12Å; H139-A141 VanDerWaalsContact C-N 3.33Å; H139-A141 WeakPolarHBondContact ND1-CB 3.16Å; H139-A141 PolarHBondContact ND1-N 3.07Å; H139-A141 PolarHBondContact O-N 3.43Å; H139-I142 HydrophobicContact CB-CG1 4.19Å; H139-I142 WeakPolarHBondContact O-CB 3.4Å; H139-I142 PolarHBondContact O-N 3.13Å; H139-R143 PolarHBondContact O-N 3.21Å
140K97.6Very high97.1Very high144 Ų14456.9 Ų56.963%0.62627%0.265SS*.Hα-helixtrans-55.3-43.3-177.5-64.9178.2-176.5174.90112.7F138 I142 R143 R144F138-K140 PolarHBondContact O-N 3.3Å; K140-I142 PolarHBondContact O-N 2.72Å; K140-R143 PolarHBondContact O-N 3.33Å; K140-R144 WeakPolarHBondContact O-CB 3.36Å; K140-R144 WeakPolarHBondContact O-CG 3.46Å; K140-R144 PolarHBondContact O-N 3.02Å
141A97.1Very high97.1Very high35 Ų3556.4 Ų56.429%0.28926%0.263SS..Hα-helixtrans-63.4-17.9178.400000115K56 H139 N145K56-A141 PolarHBondContact NZ-O 3.23Å; H139-A141 VanDerWaalsContact C-N 3.33Å; H139-A141 WeakPolarHBondContact ND1-CB 3.16Å; H139-A141 PolarHBondContact ND1-N 3.07Å; H139-A141 PolarHBondContact O-N 3.43Å; A141-N145 WeakPolarHBondContact O-CB 3.3Å
142I97.9Very high97Very high0 Ų057.5 Ų57.50%027%0.27CS..Hα-helixtrans-91.7-46.5173.5-59.5-59.5000110Y59 I135 D136 H139 K140 R144 N145 T148 T152Y59-I142 HydrophobicContact CD2-CD1 3.73Å; Y59-I142 HydrophobicContact CE2-CD1 3.57Å; I135-I142 HydrophobicContact CG2-CB 4.26Å; I135-I142 HydrophobicContact CG2-CD1 3.9Å; I135-I142 HydrophobicContact CG2-CG1 3.83Å; I135-I142 HydrophobicContact CG2-CG2 3.48Å; I135-I142 VanDerWaalsContact CG2-CG2 3.48Å; D136-I142 WeakPolarHBondContact O-CG1 3.42Å; H139-I142 HydrophobicContact CB-CG1 4.19Å; H139-I142 WeakPolarHBondContact O-CB 3.4Å; H139-I142 PolarHBondContact O-N 3.13Å; K140-I142 PolarHBondContact O-N 2.72Å; I142-R144 PolarHBondContact O-N 3.26Å; I142-N145 PolarHBondContact O-N 2.7Å; I142-T148 PolarHBondContact O-OG1 2.97Å; I142-T148 VanDerWaalsContact O-OG1 3.13Å; I142-T152 HydrophobicContact CG2-CG2 3.75Å
143R96.6Very high96.9Very high125 Ų12563.2 Ų63.247%0.47229%0.294SS..Hα-helixtrans-64.9-38.1-177.5-66.2-17866.881.2-1.1113.5P137 H139 K140 Q149 T152P137-R143 WeakPolarHBondContact O-CD 3.39Å; P137-R143 VanDerWaalsContact O-CG 3.23Å; P137-R143 WeakPolarHBondContact O-CG 3.46Å; H139-R143 PolarHBondContact O-N 3.21Å; K140-R143 PolarHBondContact O-N 3.33Å; R143-Q149 WeakPolarHBondContact O-CG 3.49Å; R143-Q149 PolarHBondContact O-NE2 3.37Å; R143-T152 HydrophobicContact CG-CG2 4.28Å
144R96.3Very high96.8Very high201 Ų20167.7 Ų67.776%0.75832%0.323SS*.THydrogen-bonded Turntrans-81.4-13.2-179.9-65.6-179.7-179.2174.7-3.3113.6K140 I142K140-R144 WeakPolarHBondContact O-CB 3.36Å; K140-R144 WeakPolarHBondContact O-CG 3.46Å; K140-R144 PolarHBondContact O-N 3.02Å; I142-R144 PolarHBondContact O-N 3.26Å
145N95.3Very high96.8Very high39 Ų3972 Ų7221%0.20935%0.35CS..  trans-95116.9-175.8179.8-61.7000110.3K56 A141 I142 D147 T148 Q149K56-N145 VanDerWaalsContact NZ-CB 3.29Å; K56-N145 PolarHBondContact NZ-ND2 2.92Å; A141-N145 WeakPolarHBondContact O-CB 3.3Å; I142-N145 PolarHBondContact O-N 2.7Å; N145-D147 VanDerWaalsContact C-N 3.31Å; N145-D147 PolarHBondContact O-N 3.07Å; N145-D147 VanDerWaalsContact OD1-CB 3.32Å; N145-D147 WeakPolarHBondContact OD1-CB 3.3Å; N145-D147 PolarHBondContact OD1-N 3.04Å; N145-D147 VanDerWaalsContact OD1-N 3.08Å; N145-T148 WeakPolarHBondContact CB-OG1 3.49Å; N145-T148 PolarHBondContact O-N 3.43Å; N145-T148 VanDerWaalsContact O-N 3.12Å; N145-T148 PolarHBondContact O-OG1 3.19Å; N145-T148 PolarHBondContact OD1-N 3.03Å; N145-T148 PolarHBondContact OD1-OG1 3.42Å; N145-Q149 WeakPolarHBondContact O-CB 3.48Å; N145-Q149 PolarHBondContact O-N 3.29Å
146P95.4Very high96.8Very high100 Ų10074.1 Ų74.165%0.64936%0.359SS*.Hα-helixtrans-61.3-36.1-172.822.8-33000113.1T148P146-T148 PolarHBondContact O-N 2.95Å
147D94.1Very high96.7Very high98 Ų9877.4 Ų77.452%0.52437%0.372SS..Hα-helixtrans-62.7-29.2179.4-53.2-21.7000113.1K54 N145 W150K54-D147 IonicContact NZ-OD2 2.65Å; K54-D147 PolarHBondContact NZ-OD2 3.2Å; N145-D147 VanDerWaalsContact C-N 3.31Å; N145-D147 PolarHBondContact O-N 3.07Å; N145-D147 VanDerWaalsContact OD1-CB 3.32Å; N145-D147 WeakPolarHBondContact OD1-CB 3.3Å; N145-D147 PolarHBondContact OD1-N 3.04Å; N145-D147 VanDerWaalsContact OD1-N 3.08Å; D147-W150 PolarHBondContact O-NE1 2.89Å
148T94.4Very high96.7Very high6 Ų680.3 Ų80.34%0.03738%0.384CS..Hα-helixtrans-109.4-20.1-174.155.20000113.4Y59 I142 N145 P146 W150 I151Y59-T148 HydrophobicContact CE2-CG2 4.28Å; Y59-T148 WeakPolarHBondContact OH-CG2 3.47Å; I142-T148 PolarHBondContact O-OG1 2.97Å; I142-T148 VanDerWaalsContact O-OG1 3.13Å; N145-T148 WeakPolarHBondContact CB-OG1 3.49Å; N145-T148 PolarHBondContact O-N 3.43Å; N145-T148 VanDerWaalsContact O-N 3.12Å; N145-T148 PolarHBondContact O-OG1 3.19Å; N145-T148 PolarHBondContact OD1-N 3.03Å; N145-T148 PolarHBondContact OD1-OG1 3.42Å; P146-T148 PolarHBondContact O-N 2.95Å; T148-W150 PolarHBondContact O-N 3.15Å; T148-W150 VanDerWaalsContact O-N 3.12Å; T148-I151 VanDerWaalsContact O-CG2 3.28Å; T148-I151 WeakPolarHBondContact O-CG2 3.05Å; T148-I151 PolarHBondContact O-N 3.26Å; T148-I151 VanDerWaalsContact O-N 3.15Å
149Q95.6Very high96.8Very high99 Ų9975 Ų7546%0.46336%0.36SS..Hα-helixtrans-58.1-31-172.9-173-17722.400112.8R143 N145 I151 T152R143-Q149 WeakPolarHBondContact O-CG 3.49Å; R143-Q149 PolarHBondContact O-NE2 3.37Å; N145-Q149 WeakPolarHBondContact O-CB 3.48Å; N145-Q149 PolarHBondContact O-N 3.29Å; Q149-I151 PolarHBondContact O-N 3.38Å; Q149-I151 VanDerWaalsContact O-N 3.14Å; Q149-T152 WeakPolarHBondContact O-CB 3.19Å; Q149-T152 PolarHBondContact O-N 3.08Å; Q149-T152 PolarHBondContact O-OG1 2.78Å
150W97.5Very high96.8Very high94 Ų9472.6 Ų72.636%0.35635%0.349SS..G310 helixtrans-51.2-40.6177.969.6-91.4000112.2L116 D147 T148 T152 K153 H156L116-W150 HydrophobicContact CD1-CH2 4.41Å; L116-W150 HydrophobicContact CD1-CZ2 3.97Å; D147-W150 PolarHBondContact O-NE1 2.89Å; T148-W150 PolarHBondContact O-N 3.15Å; T148-W150 VanDerWaalsContact O-N 3.12Å; W150-T152 PolarHBondContact O-N 2.73Å; W150-T152 VanDerWaalsContact O-N 3.15Å; W150-K153 WeakPolarHBondContact O-CG 3.41Å; W150-K153 PolarHBondContact O-N 2.7Å; W150-H156 AromaticContact CE3-CD2 3.81Å; W150-H156 AromaticContact CE3-CE1 3.71Å; W150-H156 AromaticContact CE3-CG 4Å; W150-H156 AromaticContact CE3-ND1 3.95Å; W150-H156 AromaticContact CE3-NE2 3.62Å; W150-H156 AromaticContact CZ3-CE1 3.86Å; W150-H156 AromaticContact CZ3-CG 4Å; W150-H156 AromaticContact CZ3-ND1 3.74Å; W150-H156 PolarHBondContact O-CD2 2.67Å
151I97.1Very high96.8Very high0 Ų069.4 Ų69.40%034%0.338CS..G310 helixtrans-69.3-16.1-175.9-153175.5000113.2R114 L116 I135 T148 Q149 K153 H156R114-I151 HydrophobicContact CB-CD1 3.8Å; R114-I151 HydrophobicContact CB-CG1 3.94Å; R114-I151 HydrophobicContact CG-CG1 4.45Å; L116-I151 HydrophobicContact CB-CD1 4.37Å; L116-I151 HydrophobicContact CD1-CD1 4.04Å; I135-I151 HydrophobicContact CB-CG2 4.34Å; I135-I151 HydrophobicContact CD1-CD1 4.03Å; I135-I151 HydrophobicContact CD1-CG2 4.06Å; I135-I151 HydrophobicContact CG2-CG2 3.93Å; T148-I151 VanDerWaalsContact O-CG2 3.28Å; T148-I151 WeakPolarHBondContact O-CG2 3.05Å; T148-I151 PolarHBondContact O-N 3.26Å; T148-I151 VanDerWaalsContact O-N 3.15Å; Q149-I151 PolarHBondContact O-N 3.38Å; Q149-I151 VanDerWaalsContact O-N 3.14Å; I151-K153 VanDerWaalsContact C-N 3.32Å; I151-H156 HydrophobicContact CG1-CB 4.45Å
152T97.2Very high96.7Very high24 Ų2473.2 Ų73.215%0.14734%0.344CS..G310 helixtrans-77.8-18.6179.672.70000112.6P137 I142 R143 Q149 W150P137-T152 HydrophobicContact CB-CG2 4.18Å; I142-T152 HydrophobicContact CG2-CG2 3.75Å; R143-T152 HydrophobicContact CG-CG2 4.28Å; Q149-T152 WeakPolarHBondContact O-CB 3.19Å; Q149-T152 PolarHBondContact O-N 3.08Å; Q149-T152 PolarHBondContact O-OG1 2.78Å; W150-T152 PolarHBondContact O-N 2.73Å; W150-T152 VanDerWaalsContact O-N 3.15Å
153K97.5Very high96.6Very high120 Ų12073.7 Ų73.752%0.52235%0.349SS..SBendtrans-63.8145.1179.7-58.4-179.8178.1-175.40110.8W150 I151 V155 H156W150-K153 WeakPolarHBondContact O-CG 3.41Å; W150-K153 PolarHBondContact O-N 2.7Å; I151-K153 VanDerWaalsContact C-N 3.32Å; K153-V155 HydrophobicContact CB-CG2 4.09Å; K153-V155 PolarHBondContact O-N 3.47Å; K153-V155 VanDerWaalsContact O-N 3.14Å; K153-H156 PolarHBondContact O-N 3.31Å
154P96.8Very high96.6Very high94 Ų9470.7 Ų70.761%0.6134%0.342SS*.G310 helixtrans-59.8-29.9-175.722.3-33.7000113.7H156 K157P154-H156 PolarHBondContact O-N 2.82Å; P154-K157 WeakPolarHBondContact O-CB 3.22Å; P154-K157 VanDerWaalsContact O-CG 3.26Å; P154-K157 WeakPolarHBondContact O-CG 3.37Å; P154-K157 PolarHBondContact O-N 3.16Å; P154-K157 VanDerWaalsContact O-N 3.09Å
155V97.5Very high96.7Very high91 Ų9161.1 Ų61.155%0.55231%0.306SS*.G310 helixtrans-60.9-17.6176.5-59.30000113.8K153 R162K153-V155 HydrophobicContact CB-CG2 4.09Å; K153-V155 PolarHBondContact O-N 3.47Å; K153-V155 VanDerWaalsContact O-N 3.14Å; V155-R162 PolarHBondContact O-NH1 2.75Å; V155-R162 VanDerWaalsContact O-NH1 3.08Å; V155-R162 PolarHBondContact O-NH2 2.69Å
156H97.6Very high96.7Very high45 Ų4561.8 Ų61.821%0.20831%0.314CS..G310 helixtrans-98.911.5179.1-63.2-60.6000114R114 W150 I151 K153 P154 R159R114-H156 WeakPolarHBondContact CD-O 3.28Å; W150-H156 AromaticContact CE3-CD2 3.81Å; W150-H156 AromaticContact CE3-CE1 3.71Å; W150-H156 AromaticContact CE3-CG 4Å; W150-H156 AromaticContact CE3-ND1 3.95Å; W150-H156 AromaticContact CE3-NE2 3.62Å; W150-H156 AromaticContact CZ3-CE1 3.86Å; W150-H156 AromaticContact CZ3-CG 4Å; W150-H156 AromaticContact CZ3-ND1 3.74Å; W150-H156 PolarHBondContact O-CD2 2.67Å; I151-H156 HydrophobicContact CG1-CB 4.45Å; K153-H156 PolarHBondContact O-N 3.31Å; P154-H156 PolarHBondContact O-N 2.82Å; H156-R159 HydrophobicContact CB-CG 4.31Å; H156-R159 WeakPolarHBondContact O-CG 3.36Å
157K97.8Very high96.7Very high113 Ų11357.2 Ų57.249%0.49128%0.284SS..THydrogen-bonded Turntrans-59.8136.6168-74.1177.1179.9-173.40111.4P154 R159 R162P154-K157 WeakPolarHBondContact O-CB 3.22Å; P154-K157 VanDerWaalsContact O-CG 3.26Å; P154-K157 WeakPolarHBondContact O-CG 3.37Å; P154-K157 PolarHBondContact O-N 3.16Å; P154-K157 VanDerWaalsContact O-N 3.09Å; K157-R159 PolarHBondContact O-N 3.02Å; K157-R162 VanDerWaalsContact O-CZ 3.24Å; K157-R162 PolarHBondContact O-NE 3.17Å; K157-R162 PolarHBondContact O-NH2 3.28Å
158H97.9Very high96.8Very high64 Ų6452.6 Ų52.630%0.29626%0.26SS..THydrogen-bonded Turntrans45.451.2174.3-60.6-57.8000115.7E160 M161 R162H158-E160 VanDerWaalsContact C-OE2 3.24Å; H158-E160 VanDerWaalsContact CA-OE1 3.31Å; H158-E160 WeakPolarHBondContact CA-OE1 3.12Å; H158-E160 VanDerWaalsContact CA-OE2 3.3Å; H158-E160 WeakPolarHBondContact CA-OE2 3.36Å; H158-E160 IonicContact CG-OE1 3.63Å; H158-E160 IonicContact ND1-OE1 3.11Å; H158-E160 PolarHBondContact ND1-OE1 3.37Å; H158-E160 PolarHBondContact O-N 3Å; H158-M161 HydrophobicContact CB-CB 4.26Å; H158-M161 HydrophobicContact CB-CE 4.45Å; H158-M161 HydrophobicContact CB-CG 4.11Å; H158-M161 HydrophobicContact CB-SD 4.21Å; H158-M161 PolarHBondContact O-N 3.26Å; H158-R162 PolarHBondContact O-N 3.42Å; H158-R162 PolarHBondContact O-NE 3.07Å
159R97.9Very high96.8Very high30 Ų3059 Ų5911%0.11328%0.284CS..THydrogen-bonded Turntrans-62.2-33.8178-75.4171.468-110.3-0.4112.3V115 L116 H156 K157 R162 G163 L164V115-R159 PolarHBondContact O-NH1 3.26Å; L116-R159 PolarHBondContact O-NH1 3.11Å; H156-R159 HydrophobicContact CB-CG 4.31Å; H156-R159 WeakPolarHBondContact O-CG 3.36Å; K157-R159 PolarHBondContact O-N 3.02Å; R159-R162 PolarHBondContact O-N 3.02Å; R159-G163 PolarHBondContact O-N 3.06Å; R159-G163 VanDerWaalsContact O-N 3.14Å; R159-L164 HydrophobicContact CB-CB 4.05Å; R159-L164 HydrophobicContact CG-CB 4.31Å; R159-L164 HydrophobicContact CG-CD1 4.31Å; R159-L164 PolarHBondContact NH2-O 3.24Å; R159-L164 VanDerWaalsContact NH2-O 3.16Å; R159-L164 PolarHBondContact O-N 3.38Å
160E97.8Very high96.7Very high3 Ų362.6 Ų62.61%0.01430%0.298CS..THydrogen-bonded Turntrans-60.2-44.3175.770.1-66.2162.500111.6E103 E104 V115 H158 R162 G163 T165E103-E160 HydrophobicContact CB-CB 3.97Å; E104-E160 HydrophobicContact CG-CG 4.39Å; V115-E160 HydrophobicContact CB-CB 4.19Å; V115-E160 HydrophobicContact CB-CG 4.46Å; V115-E160 HydrophobicContact CG1-CB 4.33Å; V115-E160 HydrophobicContact CG2-CB 4.19Å; V115-E160 HydrophobicContact CG2-CG 3.99Å; H158-E160 VanDerWaalsContact C-OE2 3.24Å; H158-E160 VanDerWaalsContact CA-OE1 3.31Å; H158-E160 WeakPolarHBondContact CA-OE1 3.12Å; H158-E160 VanDerWaalsContact CA-OE2 3.3Å; H158-E160 WeakPolarHBondContact CA-OE2 3.36Å; H158-E160 IonicContact CG-OE1 3.63Å; H158-E160 IonicContact ND1-OE1 3.11Å; H158-E160 PolarHBondContact ND1-OE1 3.37Å; H158-E160 PolarHBondContact O-N 3Å; E160-R162 VanDerWaalsContact C-N 3.3Å; E160-R162 PolarHBondContact O-N 3.33Å; E160-G163 PolarHBondContact O-N 3.26Å; E160-T165 HydrophobicContact CB-CG2 4.15Å
161M97.1Very high96.4Very high77 Ų7760 Ų6038%0.37929%0.294SS..THydrogen-bonded Turntrans-71.3-27.9-179.4-57.1-167.8-163.300112.7R108 H158 G163R108-M161 HydrophobicContact CB-CE 4.48Å; R108-M161 HydrophobicContact CG-CE 3.49Å; R108-M161 VanDerWaalsContact CG-CE 3.49Å; H158-M161 HydrophobicContact CB-CB 4.26Å; H158-M161 HydrophobicContact CB-CE 4.45Å; H158-M161 HydrophobicContact CB-CG 4.11Å; H158-M161 HydrophobicContact CB-SD 4.21Å; H158-M161 PolarHBondContact O-N 3.26Å; M161-G163 VanDerWaalsContact C-N 3.34Å
162R96.1Very high96.2Very high114 Ų11463.3 Ų63.343%0.4331%0.307SS..THydrogen-bonded Turntrans-88.70.3176.8-63.2179.7-67.4150.31.3113.2V155 K157 H158 R159 E160 L164 R172V155-R162 PolarHBondContact O-NH1 2.75Å; V155-R162 VanDerWaalsContact O-NH1 3.08Å; V155-R162 PolarHBondContact O-NH2 2.69Å; K157-R162 VanDerWaalsContact O-CZ 3.24Å; K157-R162 PolarHBondContact O-NE 3.17Å; K157-R162 PolarHBondContact O-NH2 3.28Å; H158-R162 PolarHBondContact O-N 3.42Å; H158-R162 PolarHBondContact O-NE 3.07Å; R159-R162 PolarHBondContact O-N 3.02Å; E160-R162 VanDerWaalsContact C-N 3.3Å; E160-R162 PolarHBondContact O-N 3.33Å; R162-L164 HydrophobicContact CB-CD1 4.17Å; R162-L164 HydrophobicContact CB-CG 4.04Å; R162-L164 PolarHBondContact O-N 3.05Å; R162-R172 PolarHBondContact O-NH1 3.31Å
163G95.7Very high95.8Very high10 Ų1062.3 Ų62.310%0.10330%0.302CS..THydrogen-bonded Turntrans62.639.3-178.800000113.4R159 E160 M161 G168 R169 R172R159-G163 PolarHBondContact O-N 3.06Å; R159-G163 VanDerWaalsContact O-N 3.14Å; E160-G163 PolarHBondContact O-N 3.26Å; M161-G163 VanDerWaalsContact C-N 3.34Å; G163-G168 CarbonylContact O-C 3.53Å; G163-R169 PolarHBondContact O-N 2.93Å; G163-R172 WeakPolarHBondContact O-CD 3.48Å; G163-R172 PolarHBondContact O-NH1 3.17Å
164L96.5Very high95.5Very high62 Ų6258.4 Ų58.433%0.32529%0.286SS..  trans-97.9-6.5177.4-61.1177.6000113.1R159 R162R159-L164 HydrophobicContact CB-CB 4.05Å; R159-L164 HydrophobicContact CG-CB 4.31Å; R159-L164 HydrophobicContact CG-CD1 4.31Å; R159-L164 PolarHBondContact NH2-O 3.24Å; R159-L164 VanDerWaalsContact NH2-O 3.16Å; R159-L164 PolarHBondContact O-N 3.38Å; R162-L164 HydrophobicContact CB-CD1 4.17Å; R162-L164 HydrophobicContact CB-CG 4.04Å; R162-L164 PolarHBondContact O-N 3.05Å
165T97.3Very high94.9Very high0 Ų057.8 Ų57.80%030%0.296CS..SBendtrans-71.7168.1169.6580000111.2E103 V115 E160 A167 G168 R169E103-T165 WeakPolarHBondContact OE2-CB 3.47Å; E103-T165 WeakPolarHBondContact OE2-CG2 3.5Å; E103-T165 PolarHBondContact OE2-OG1 3.2Å; V115-T165 HydrophobicContact CG1-CG2 4.06Å; E160-T165 HydrophobicContact CB-CG2 4.15Å; T165-A167 VanDerWaalsContact C-N 3.3Å; T165-A167 PolarHBondContact O-N 3.13Å; T165-G168 PolarHBondContact O-N 2.87Å; T165-G168 PolarHBondContact OG1-N 2.84Å; T165-R169 WeakPolarHBondContact O-CB 3.49Å; T165-R169 VanDerWaalsContact O-CG 3.3Å; T165-R169 WeakPolarHBondContact O-CG 3.45Å; T165-R169 PolarHBondContact O-N 2.93Å
166S95.9Very high94.4Very high54 Ų5460.3 Ų60.338%0.37830%0.3SS..Hα-helixtrans-58.8-42.7178.871.80000112N117 K170N117-S166 PolarHBondContact OD1-OG 2.66Å; S166-K170 PolarHBondContact O-N 3.46Å; S166-K170 VanDerWaalsContact O-N 3.08Å
167A96.7Very high93.8Very high3 Ų360.7 Ų60.73%0.02532%0.316CS..Hα-helixtrans-64.8-43.8177.100000112Q99 T165 K170 S171Q99-A167 HydrophobicContact CB-CB 4.05Å; Q99-A167 HydrophobicContact CG-CB 3.8Å; T165-A167 VanDerWaalsContact C-N 3.3Å; T165-A167 PolarHBondContact O-N 3.13Å; A167-K170 PolarHBondContact O-N 3.03Å; A167-S171 PolarHBondContact O-N 2.95Å
168G95.1Very high93.1Very high2 Ų263.5 Ų63.52%0.02133%0.331CS..Hα-helixtrans-64.1-44.8176.900000113.1G163 T165 K170 S171 R172G163-G168 CarbonylContact O-C 3.53Å; T165-G168 PolarHBondContact O-N 2.87Å; T165-G168 PolarHBondContact OG1-N 2.84Å; G168-K170 VanDerWaalsContact C-N 3.33Å; G168-K170 PolarHBondContact O-N 3.29Å; G168-S171 PolarHBondContact O-N 3.33Å; G168-R172 WeakPolarHBondContact O-CG 3.14Å; G168-R172 PolarHBondContact O-N 2.91Å
169R94.3Very high92.5Very high139 Ų13968.5 Ų68.553%0.52535%0.352SS..Hα-helixtrans-60-42.6176.3-71.5179.870.2168.92.3111.6G163 T165 R172 G173 L174G163-R169 PolarHBondContact O-N 2.93Å; T165-R169 WeakPolarHBondContact O-CB 3.49Å; T165-R169 VanDerWaalsContact O-CG 3.3Å; T165-R169 WeakPolarHBondContact O-CG 3.45Å; T165-R169 PolarHBondContact O-N 2.93Å; R169-R172 PolarHBondContact O-N 3.49Å; R169-G173 PolarHBondContact O-N 3.12Å; R169-L174 HydrophobicContact CB-CB 4.39Å; R169-L174 HydrophobicContact CB-CD1 4.39Å; R169-L174 HydrophobicContact CG-CD1 4.25Å; R169-L174 PolarHBondContact O-N 3.12Å
170K93.1Very high92Very high175 Ų17569.2 Ų69.276%0.76136%0.356SS*.Hα-helixtrans-61.1-47.4175.7-173.3176.2-178.2177.40111.6S166 A167 G168 R172 G173S166-K170 PolarHBondContact O-N 3.46Å; S166-K170 VanDerWaalsContact O-N 3.08Å; A167-K170 PolarHBondContact O-N 3.03Å; G168-K170 VanDerWaalsContact C-N 3.33Å; G168-K170 PolarHBondContact O-N 3.29Å; K170-R172 VanDerWaalsContact C-N 3.26Å; K170-R172 PolarHBondContact O-N 3.3Å; K170-G173 PolarHBondContact O-N 2.89Å
171S91.8Very high91.4Very high40 Ų4074.8 Ų74.828%0.2838%0.382SS..Hα-helixtrans-62.7-30.9177.1-76.60000113.2S97 A167 G168 G173S97-S171 PolarHBondContact N-OG 3.37Å; S97-S171 VanDerWaalsContact N-OG 3.11Å; A167-S171 PolarHBondContact O-N 2.95Å; G168-S171 PolarHBondContact O-N 3.33Å; S171-G173 PolarHBondContact O-N 3.41Å
172R92.3Very high90.9Very high69 Ų6976.1 Ų76.126%0.2639%0.387SS..THydrogen-bonded Turntrans-74.7-9174.4-70.9167.964177.75.7113.7R162 G163 G168 R169 K170 L174 G186R162-R172 PolarHBondContact O-NH1 3.31Å; G163-R172 WeakPolarHBondContact O-CD 3.48Å; G163-R172 PolarHBondContact O-NH1 3.17Å; G168-R172 WeakPolarHBondContact O-CG 3.14Å; G168-R172 PolarHBondContact O-N 2.91Å; R169-R172 PolarHBondContact O-N 3.49Å; K170-R172 VanDerWaalsContact C-N 3.26Å; K170-R172 PolarHBondContact O-N 3.3Å; R172-L174 HydrophobicContact CB-CD1 4.25Å; R172-L174 HydrophobicContact CB-CG 3.89Å; R172-G186 VanDerWaalsContact CZ-O 3.29Å; R172-G186 PolarHBondContact NE-O 3.07Å; R172-G186 VanDerWaalsContact NE-O 3.13Å; R172-G186 VanDerWaalsContact NH2-C 3.27Å; R172-G186 PolarHBondContact NH2-O 2.86Å
173G90.2Very high90.7Very high4 Ų471.9 Ų71.94%0.04137%0.373CS..THydrogen-bonded Turntrans77.821.6-177.200000113.7R169 K170 S171 F180R169-G173 PolarHBondContact O-N 3.12Å; K170-G173 PolarHBondContact O-N 2.89Å; S171-G173 PolarHBondContact O-N 3.41Å; G173-F180 WeakPolarHBondContact O-CE1 3.43Å
174L90.8Very high90.3Very high38 Ų3874.3 Ų74.320%0.19938%0.383CS..THydrogen-bonded Turntrans-80.4146.4178.9-52.8-177.2000110.9R169 R172 T183R169-L174 HydrophobicContact CB-CB 4.39Å; R169-L174 HydrophobicContact CB-CD1 4.39Å; R169-L174 HydrophobicContact CG-CD1 4.25Å; R169-L174 PolarHBondContact O-N 3.12Å; R172-L174 HydrophobicContact CB-CD1 4.25Å; R172-L174 HydrophobicContact CB-CG 3.89Å; L174-T183 HydrophobicContact CD2-CG2 4.15Å
175G84.9Confident89.7Confident80 Ų8075.2 Ų75.283%0.82541%0.408SS*.THydrogen-bonded Turntrans85.623.2179.300000114.8G177G175-G177 VanDerWaalsContact C-N 3.33Å
176K85.6Confident89.2Confident144 Ų14476 Ų7663%0.62642%0.415SS*.SBendtrans-89.413.4176.3-71.1-170.1171-162.30114.5F180K176-F180 HydrophobicContact CB-CB 3.69Å; K176-F180 HydrophobicContact CB-CD1 4.33Å; K176-F180 HydrophobicContact CB-CD2 4.09Å; K176-F180 HydrophobicContact CB-CG 3.78Å; K176-F180 HydrophobicContact CD-CD2 3.73Å; K176-F180 HydrophobicContact CD-CE2 3.84Å; K176-F180 HydrophobicContact CD-CG 4.2Å; K176-F180 HydrophobicContact CD-CZ 4.39Å
177G84.7Confident89.1Confident53 Ų5375.3 Ų75.355%0.54641%0.411SS..  trans84.3176.2-179.100000114.5G175 K179 F180G175-G177 VanDerWaalsContact C-N 3.33Å; G177-K179 VanDerWaalsContact C-N 3.31Å; G177-K179 PolarHBondContact O-N 2.88Å; G177-F180 PolarHBondContact O-N 3.09Å
178H83.8Confident88.9Confident173 Ų17382.2 Ų82.280%0.80144%0.436SS*.THydrogen-bonded Turntrans-64.7-30-171.764.8-88.8000113.7F180H178-F180 PolarHBondContact O-N 3.18Å
179K86.1Confident88.9Confident168 Ų16892 Ų9273%0.7347%0.472SS*.THydrogen-bonded Turntrans-68.9-17178.4-59.4-170.2177.2-177.50113.3G177 H181G177-K179 VanDerWaalsContact C-N 3.31Å; G177-K179 PolarHBondContact O-N 2.88Å; K179-H181 PolarHBondContact O-N 3.13Å; K179-H181 PolarHBondContact O-ND1 3.31Å
180F86.7Confident89Confident45 Ų4587.4 Ų87.420%0.19747%0.465CS..  trans-82.699.7-179.2-174.8-98.4000111.9G173 K176 G177 H178 H182 T183G173-F180 WeakPolarHBondContact O-CE1 3.43Å; K176-F180 HydrophobicContact CB-CB 3.69Å; K176-F180 HydrophobicContact CB-CD1 4.33Å; K176-F180 HydrophobicContact CB-CD2 4.09Å; K176-F180 HydrophobicContact CB-CG 3.78Å; K176-F180 HydrophobicContact CD-CD2 3.73Å; K176-F180 HydrophobicContact CD-CE2 3.84Å; K176-F180 HydrophobicContact CD-CG 4.2Å; K176-F180 HydrophobicContact CD-CZ 4.39Å; G177-F180 PolarHBondContact O-N 3.09Å; H178-F180 PolarHBondContact O-N 3.18Å; F180-H182 AromaticContact CD2-CD2 3.98Å; F180-H182 HydrophobicContact CE1-CB 4.18Å; F180-H182 HydrophobicContact CE2-CB 4.07Å; F180-H182 AromaticContact CE2-CD2 3.58Å; F180-H182 HydrophobicContact CZ-CB 3.74Å; F180-T183 HydrophobicContact CE1-CG2 3.95Å
181H85.1Confident89Confident121 Ų12179.1 Ų79.156%0.5643%0.429SS*.  trans-109.615.4-173.756.4-86.3000113.9K179 T183 R195K179-H181 PolarHBondContact O-N 3.13Å; K179-H181 PolarHBondContact O-ND1 3.31Å; H181-T183 PolarHBondContact O-N 3.38Å; H181-R195 PolarHBondContact O-NH2 3.31Å
182H86.9Confident89.2Confident105 Ų10584.9 Ų84.949%0.48644%0.444SS..SBendtrans-77.8-3.2177.8-65.5-75.5000114.2F180F180-H182 AromaticContact CD2-CD2 3.98Å; F180-H182 HydrophobicContact CE1-CB 4.18Å; F180-H182 HydrophobicContact CE2-CB 4.07Å; F180-H182 AromaticContact CE2-CD2 3.58Å; F180-H182 HydrophobicContact CZ-CB 3.74Å
183T91Very high89.4Confident24 Ų2490.3 Ų90.315%0.14747%0.465CS..  trans-135.3145.5-179.455.50000111.6L174 F180 H181 R188L174-T183 HydrophobicContact CD2-CG2 4.15Å; F180-T183 HydrophobicContact CE1-CG2 3.95Å; H181-T183 PolarHBondContact O-N 3.38Å; T183-R188 HydrophobicContact CG2-CG 3.57Å
184I87.7Confident89.6Confident61 Ų6197 Ų9731%0.31349%0.489SS..BIsolated β-bridgetrans-127.3133.2172.2-62.3178.1000108.3G186 S187 A191 R194I184-G186 PolarHBondContact O-N 3.03Å; I184-S187 PolarHBondContact N-O 3.35Å; I184-S187 PolarHBondContact O-N 3.34Å; I184-A191 HydrophobicContact CB-CB 4.22Å; I184-A191 HydrophobicContact CD1-CB 4Å; I184-A191 HydrophobicContact CG1-CB 3.75Å; I184-R194 HydrophobicContact CD1-CB 4.42Å; I184-R194 VanDerWaalsContact CD1-NH2 3.32Å
185G83.9Confident89.7Confident82 Ų82101.3 Ų101.385%0.84550%0.502SS*.THydrogen-bonded Turntrans54.625.7-170.400000112.3S187G185-S187 VanDerWaalsContact C-N 3.34Å; G185-S187 PolarHBondContact O-N 3.21Å
186G86.9Confident90.3Very high15 Ų15102.1 Ų102.116%0.15549%0.488CS..THydrogen-bonded Turntrans73.311.5-173.100000116.7R172 I184R172-G186 VanDerWaalsContact CZ-O 3.29Å; R172-G186 PolarHBondContact NE-O 3.07Å; R172-G186 VanDerWaalsContact NE-O 3.13Å; R172-G186 VanDerWaalsContact NH2-C 3.27Å; R172-G186 PolarHBondContact NH2-O 2.86Å; I184-G186 PolarHBondContact O-N 3.03Å
187S93.2Very high90.8Very high40 Ų4098.8 Ų98.828%0.2848%0.48SS..BIsolated β-bridgetrans-114.9128.6179.51780000111.9I184 G185 R189 A190 A191I184-S187 PolarHBondContact N-O 3.35Å; I184-S187 PolarHBondContact O-N 3.34Å; G185-S187 VanDerWaalsContact C-N 3.34Å; G185-S187 PolarHBondContact O-N 3.21Å; S187-R189 PolarHBondContact OG-N 3.49Å; S187-A190 PolarHBondContact OG-N 3.38Å; S187-A191 PolarHBondContact O-N 3.31Å
188R93.4Very high91.4Very high149 Ų149102.8 Ų102.856%0.56249%0.488SS*.Hα-helixtrans-69.1-37.5171.5-65.5-172.9-176.4-177.8-1.1111.5T183 A191 W192T183-R188 HydrophobicContact CG2-CG 3.57Å; R188-A191 WeakPolarHBondContact O-CB 3.44Å; R188-A191 PolarHBondContact O-N 3.41Å; R188-W192 PolarHBondContact O-N 3.31Å
189R95Very high91.9Very high206 Ų206101 Ų10178%0.77748%0.48SS*.Hα-helixtrans-66.8-39.9178.6-175.4178.5-71.9170.6-4.5111.7S187 A191 W192 R193S187-R189 PolarHBondContact OG-N 3.49Å; R189-A191 VanDerWaalsContact C-N 3.34Å; R189-W192 PolarHBondContact O-N 3.23Å; R189-R193 WeakPolarHBondContact O-CB 3.19Å; R189-R193 PolarHBondContact O-N 2.7Å
190A95.1Very high92.4Very high44 Ų4499.5 Ų99.536%0.36448%0.479SS..Hα-helixtrans-63.9-41.8174.300000111.3S187 W192 R193 R194S187-A190 PolarHBondContact OG-N 3.38Å; A190-W192 PolarHBondContact O-N 3.36Å; A190-R193 PolarHBondContact O-N 3.28Å; A190-R194 PolarHBondContact O-N 2.74Å
191A94.6Very high92.7Very high1 Ų1103.7 Ų103.71%0.00850%0.499CS..Hα-helixtrans-60.5-44.3174.900000112.5I184 S187 R188 R189 R195I184-A191 HydrophobicContact CB-CB 4.22Å; I184-A191 HydrophobicContact CD1-CB 4Å; I184-A191 HydrophobicContact CG1-CB 3.75Å; S187-A191 PolarHBondContact O-N 3.31Å; R188-A191 WeakPolarHBondContact O-CB 3.44Å; R188-A191 PolarHBondContact O-N 3.41Å; R189-A191 VanDerWaalsContact C-N 3.34Å; A191-R195 WeakPolarHBondContact O-CG 3.47Å; A191-R195 PolarHBondContact O-N 3.23Å
192W95.8Very high93.1Very high161 Ų161108.7 Ų108.761%0.6151%0.513SS*.Hα-helixtrans-63.3-49.8176.3-178.686.6000111.5R188 R189 A190 R194 R195 N196R188-W192 PolarHBondContact O-N 3.31Å; R189-W192 PolarHBondContact O-N 3.23Å; A190-W192 PolarHBondContact O-N 3.36Å; W192-R194 PolarHBondContact O-N 2.9Å; W192-R195 PolarHBondContact O-N 3.26Å; W192-R195 VanDerWaalsContact O-N 3.13Å; W192-N196 HydrophobicContact CH2-CB 4.45Å; W192-N196 HydrophobicContact CZ2-CB 4.23Å; W192-N196 PolarHBondContact NE1-ND2 3.39Å; W192-N196 PolarHBondContact O-N 3.25Å; W192-N196 PolarHBondContact O-ND2 2.84Å
193R96.3Very high93.4Very high182 Ų182112.7 Ų112.769%0.68753%0.525SS*.Hα-helixtrans-55-51.9179179.9178-91.5-176.2-8.4110.6R189 A190 R195 N196 T197R189-R193 WeakPolarHBondContact O-CB 3.19Å; R189-R193 PolarHBondContact O-N 2.7Å; A190-R193 PolarHBondContact O-N 3.28Å; R193-R195 VanDerWaalsContact C-N 3.26Å; R193-R195 PolarHBondContact O-N 2.81Å; R193-N196 CarbonylContact O-C 3.59Å; R193-N196 PolarHBondContact O-N 3.44Å; R193-N196 VanDerWaalsContact O-N 3.09Å; R193-T197 WeakPolarHBondContact O-CB 3.21Å; R193-T197 PolarHBondContact O-N 3.34Å; R193-T197 PolarHBondContact O-OG1 2.93Å
194R93.9Very high92.9Very high146 Ų146126.2 Ų126.255%0.55157%0.573SS**Hα-helixtrans-54.4-40.1179.6-173.2-168.763.7127.6-8.4113.3I184 A190 W192I184-R194 HydrophobicContact CD1-CB 4.42Å; I184-R194 VanDerWaalsContact CD1-NH2 3.32Å; A190-R194 PolarHBondContact O-N 2.74Å; W192-R194 PolarHBondContact O-N 2.9Å
195R94.1Very high93.2Very high127 Ų127129.5 Ų129.548%0.47959%0.586SS.*Hα-helixtrans-77.8-23.9-178.3-69.8179-173.4139.85.7114.1H181 A191 W192 R193H181-R195 PolarHBondContact O-NH2 3.31Å; A191-R195 WeakPolarHBondContact O-CG 3.47Å; A191-R195 PolarHBondContact O-N 3.23Å; W192-R195 PolarHBondContact O-N 3.26Å; W192-R195 VanDerWaalsContact O-N 3.13Å; R193-R195 VanDerWaalsContact C-N 3.26Å; R193-R195 PolarHBondContact O-N 2.81Å
196N96.3Very high93.7Very high97 Ų97131.9 Ų131.952%0.51957%0.573SS.*Hα-helixtrans-107.1-1.3-176-66.5-96.7000112.1W192 R193 L198W192-N196 HydrophobicContact CH2-CB 4.45Å; W192-N196 HydrophobicContact CZ2-CB 4.23Å; W192-N196 PolarHBondContact NE1-ND2 3.39Å; W192-N196 PolarHBondContact O-N 3.25Å; W192-N196 PolarHBondContact O-ND2 2.84Å; R193-N196 CarbonylContact O-C 3.59Å; R193-N196 PolarHBondContact O-N 3.44Å; R193-N196 VanDerWaalsContact O-N 3.09Å; N196-L198 PolarHBondContact O-N 3.06Å
197T96.5Very high94Very high75 Ų75138.4 Ų138.446%0.4660%0.596SS.*SBendtrans-76.8117.4172.4-68.10000108.6R193 Q199R193-T197 WeakPolarHBondContact O-CB 3.21Å; R193-T197 PolarHBondContact O-N 3.34Å; R193-T197 PolarHBondContact O-OG1 2.93Å; T197-Q199 PolarHBondContact O-N 2.98Å
198L96.4Very high94.1Very high136 Ų136144.2 Ų144.271%0.71262%0.615SS**  trans-62.2121.5167.7179.664000108.9N196 L200N196-L198 PolarHBondContact O-N 3.06Å; L198-L200 HydrophobicContact CD1-CD2 4.29Å; L198-L200 HydrophobicContact CD2-CD1 4.19Å; L198-L200 HydrophobicContact CD2-CD2 4.01Å; L198-L200 HydrophobicContact CD2-CG 4.14Å; L198-L200 HydrophobicContact CG-CD2 3.95Å; L198-L200 HydrophobicContact CG-CG 4.03Å
199Q95Very high94.1Very high135 Ų135143.9 Ų143.963%0.63162%0.618SS**  trans-96.8114.6177.3-64.3-170.7-30.500108.9T197T197-Q199 PolarHBondContact O-N 2.98Å
200L95.8Very high94.1Very high138 Ų138139.8 Ų139.872%0.72361%0.607SS**  trans-111.899.2176-60.8177.8000107.8L198L198-L200 HydrophobicContact CD1-CD2 4.29Å; L198-L200 HydrophobicContact CD2-CD1 4.19Å; L198-L200 HydrophobicContact CD2-CD2 4.01Å; L198-L200 HydrophobicContact CD2-CG 4.14Å; L198-L200 HydrophobicContact CG-CD2 3.95Å; L198-L200 HydrophobicContact CG-CG 4.03Å
201H94.7Very high94Very high132 Ų132146.6 Ų146.661%0.61163%0.625SS**  trans-76.9150.2175.5-65.9-85.5000110.1Y203H201-Y203 WeakPolarHBondContact CB-O 3.41Å; H201-Y203 PolarHBondContact O-N 3.04Å
202R93.5Very high93.9Very high226 Ų226157.8 Ų157.885%0.85367%0.672SS**SBendtrans-58.1-37.3178.4178.9179.6-85.4177.3-7.1111.5
203Y92.5Very high93.8Very high190 Ų190157.6 Ų157.675%0.74568%0.677SS**  trans-122.8136.1172.3-55.2-76.3000107.4H201H201-Y203 WeakPolarHBondContact CB-O 3.41Å; H201-Y203 PolarHBondContact O-N 3.04Å
204R80.6Confident93.6Very high307 Ų307155.4 Ų155.4100%1.15868%0.677SS**  trans-80.50179.3-68.6-175.2-178.3-178.51.8110.8

Retrieved 204 of 204 residues in 35.8 ms (Link to these results)

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