A0A3Q0KF59_SCHMA Loading...

Ubiquitin-like-conjugating enzyme ATG10

AlphaFold DB , UniProt , Accession A0A3Q0KF59, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 185 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
1M59.3Low85.1Confident189 Ų18958.3 Ų58.393%0.93130%0.299SS*.  0-60.40-152.6169.1-74.600110.9Y3 K4 D5M1-Y3 VanDerWaalsContact C-N 3.31Å; M1-Y3 PolarHBondContact O-N 3.23Å; M1-Y3 VanDerWaalsContact O-N 3.12Å; M1-K4 PolarHBondContact O-N 2.73Å; M1-K4 VanDerWaalsContact O-N 3.08Å; M1-D5 PolarHBondContact O-N 3.26Å
2A83.3Confident85.2Confident59 Ų5962.2 Ų62.249%0.48832%0.32SS..Hα-helixtrans-52.2-38.1-178.200000115.9A6 P159A2-A6 WeakPolarHBondContact O-CB 3.41Å; A2-A6 PolarHBondContact O-N 3.39Å; A2-A6 VanDerWaalsContact O-N 3.09Å; A2-P159 HydrophobicContact CB-CB 4.38Å; A2-P159 HydrophobicContact CB-CG 4.24Å
3Y85.3Confident85.1Confident31 Ų3162.7 Ų62.712%0.12232%0.324CS..Hα-helixtrans-66.4-45.2177.4177.8-102.7000113.1M1 D5 A6 I7 I71 F73 P80 M163M1-Y3 VanDerWaalsContact C-N 3.31Å; M1-Y3 PolarHBondContact O-N 3.23Å; M1-Y3 VanDerWaalsContact O-N 3.12Å; Y3-D5 VanDerWaalsContact C-N 3.34Å; Y3-D5 PolarHBondContact O-N 3.39Å; Y3-A6 WeakPolarHBondContact O-CB 3.44Å; Y3-A6 PolarHBondContact O-N 3.45Å; Y3-A6 VanDerWaalsContact O-N 3.15Å; Y3-I7 HydrophobicContact CD1-CD1 3.91Å; Y3-I7 HydrophobicContact CD1-CG1 4.42Å; Y3-I7 HydrophobicContact CE1-CD1 3.11Å; Y3-I7 HydrophobicContact CE1-CG1 3.89Å; Y3-I7 HydrophobicContact CE2-CD1 4.32Å; Y3-I7 HydrophobicContact CE2-CG1 4.35Å; Y3-I7 PolarHBondContact O-N 2.93Å; Y3-I7 WeakPolarHBondContact OH-CD1 3.48Å; Y3-I71 PolarHBondContact OH-O 3.49Å; Y3-I71 VanDerWaalsContact OH-O 3.07Å; Y3-F73 HydrophobicContact CD1-CB 3.74Å; Y3-F73 HydrophobicContact CD1-CD2 4.21Å; Y3-F73 HydrophobicContact CD1-CG 4.09Å; Y3-F73 HydrophobicContact CD2-CB 4.47Å; Y3-F73 AromaticContact CD2-CD2 3.63Å; Y3-F73 HydrophobicContact CD2-CD2 3.63Å; Y3-F73 HydrophobicContact CD2-CE2 4.26Å; Y3-F73 HydrophobicContact CD2-CG 4.33Å; Y3-F73 HydrophobicContact CE1-CB 3.51Å; Y3-F73 HydrophobicContact CE1-CD2 4.44Å; Y3-F73 HydrophobicContact CE1-CG 4.29Å; Y3-F73 HydrophobicContact CE2-CB 4.27Å; Y3-F73 AromaticContact CE2-CD2 3.89Å; Y3-F73 HydrophobicContact CE2-CD2 3.89Å; Y3-F73 HydrophobicContact CG-CB 4.21Å; Y3-F73 AromaticContact CG-CD2 3.78Å; Y3-F73 HydrophobicContact CG-CD2 3.78Å; Y3-F73 HydrophobicContact CG-CE2 4.42Å; Y3-F73 HydrophobicContact CG-CG 4.1Å; Y3-P80 HydrophobicContact CE2-CB 4.21Å; Y3-M163 HydrophobicContact CD2-SD 4.18Å; Y3-M163 HydrophobicContact CE2-CE 3.77Å; Y3-M163 HydrophobicContact CE2-SD 3.62Å
4K86.5Confident84.7Confident48 Ų4859.2 Ų59.221%0.20931%0.306CS..Hα-helixtrans-60.8-46178.5-68.9-177.4160.7-167.10111.5M1 A6 I7 Q8 P33 D34 L36M1-K4 PolarHBondContact O-N 2.73Å; M1-K4 VanDerWaalsContact O-N 3.08Å; K4-A6 PolarHBondContact O-N 2.73Å; K4-I7 PolarHBondContact O-N 2.99Å; K4-Q8 PolarHBondContact O-N 2.8Å; K4-P33 PolarHBondContact NZ-O 2.99Å; K4-D34 VanDerWaalsContact CE-CA 3.43Å; K4-D34 WeakPolarHBondContact CE-O 3.29Å; K4-D34 WeakPolarHBondContact CE-OD1 3.15Å; K4-D34 VanDerWaalsContact NZ-CA 3.3Å; K4-D34 IonicContact NZ-OD1 3.47Å; K4-D34 PolarHBondContact NZ-OD1 3.24Å; K4-L36 HydrophobicContact CB-CD1 4.2Å; K4-L36 HydrophobicContact CD-CD1 4.02Å; K4-L36 HydrophobicContact CG-CD1 3.99Å
5D88Confident83.4Confident85 Ų8562 Ų6246%0.45532%0.32SS..Hα-helixtrans-60.7-39.8177.4-59.1-30.9000110.1M1 Y3 Q8 I9M1-D5 PolarHBondContact O-N 3.26Å; Y3-D5 VanDerWaalsContact C-N 3.34Å; Y3-D5 PolarHBondContact O-N 3.39Å; D5-Q8 PolarHBondContact O-N 3.36Å; D5-I9 WeakPolarHBondContact O-CB 3.34Å; D5-I9 WeakPolarHBondContact O-CD1 3.44Å; D5-I9 WeakPolarHBondContact O-CG1 3.46Å; D5-I9 PolarHBondContact O-N 3.15Å
6A87.9Confident82Confident0 Ų063.1 Ų63.10%033%0.334CS..Hα-helixtrans-66.5-42.2175.700000113.5A2 Y3 K4 Q8 I9 L10 P159 V160 M163A2-A6 WeakPolarHBondContact O-CB 3.41Å; A2-A6 PolarHBondContact O-N 3.39Å; A2-A6 VanDerWaalsContact O-N 3.09Å; Y3-A6 WeakPolarHBondContact O-CB 3.44Å; Y3-A6 PolarHBondContact O-N 3.45Å; Y3-A6 VanDerWaalsContact O-N 3.15Å; K4-A6 PolarHBondContact O-N 2.73Å; A6-Q8 VanDerWaalsContact C-N 3.31Å; A6-Q8 PolarHBondContact O-N 3.12Å; A6-I9 PolarHBondContact O-N 3.4Å; A6-L10 WeakPolarHBondContact O-CB 3.31Å; A6-L10 VanDerWaalsContact O-CG 3.24Å; A6-L10 WeakPolarHBondContact O-CG 3.21Å; A6-L10 PolarHBondContact O-N 3.17Å; A6-P159 HydrophobicContact CB-CB 3.66Å; A6-P159 HydrophobicContact CB-CG 4.01Å; A6-V160 HydrophobicContact CB-CG2 4.06Å; A6-M163 HydrophobicContact CB-CG 4.43Å
7I90.3Very high80.6Confident0 Ų063.3 Ų63.30%034%0.335CS..Hα-helixtrans-56.8-49.2171.5-78.1-179.8000109.9Y3 K4 I9 L10 K11 I26 L36 M38Y3-I7 HydrophobicContact CD1-CD1 3.91Å; Y3-I7 HydrophobicContact CD1-CG1 4.42Å; Y3-I7 HydrophobicContact CE1-CD1 3.11Å; Y3-I7 HydrophobicContact CE1-CG1 3.89Å; Y3-I7 HydrophobicContact CE2-CD1 4.32Å; Y3-I7 HydrophobicContact CE2-CG1 4.35Å; Y3-I7 PolarHBondContact O-N 2.93Å; Y3-I7 WeakPolarHBondContact OH-CD1 3.48Å; K4-I7 PolarHBondContact O-N 2.99Å; I7-I9 PolarHBondContact O-N 3.12Å; I7-L10 PolarHBondContact O-N 3.42Å; I7-K11 WeakPolarHBondContact O-CB 3.29Å; I7-K11 PolarHBondContact O-N 3.38Å; I7-I26 HydrophobicContact CG2-CD1 3.72Å; I7-I26 HydrophobicContact CG2-CG1 3.75Å; I7-L36 WeakPolarHBondContact CD1-O 3.44Å; I7-M38 HydrophobicContact CD1-CB 4.31Å; I7-M38 HydrophobicContact CG1-CB 4.25Å; I7-M38 HydrophobicContact CG2-CB 4.04Å
8Q90.3Very high79.2Confident78 Ų7865.1 Ų65.136%0.36435%0.352SS..Hα-helixtrans-63.9-43.6-176.5-172.562.567.500111.6K4 D5 A6 N12 I26K4-Q8 PolarHBondContact O-N 2.8Å; D5-Q8 PolarHBondContact O-N 3.36Å; A6-Q8 VanDerWaalsContact C-N 3.31Å; A6-Q8 PolarHBondContact O-N 3.12Å; Q8-N12 PolarHBondContact NE2-OD1 3.48Å; Q8-N12 WeakPolarHBondContact O-CB 3.43Å; Q8-N12 PolarHBondContact O-N 3.17Å; Q8-N12 PolarHBondContact O-ND2 3.43Å; Q8-N12 PolarHBondContact O-OD1 3.39Å; Q8-I26 VanDerWaalsContact OE1-CD1 3.31Å
9I89.5Confident78.5Confident74 Ų7470.1 Ų70.138%0.37938%0.379SS..Hα-helixtrans-60.7-48.8175-70.3164000109.8D5 A6 I7 N12 N13 V160D5-I9 WeakPolarHBondContact O-CB 3.34Å; D5-I9 WeakPolarHBondContact O-CD1 3.44Å; D5-I9 WeakPolarHBondContact O-CG1 3.46Å; D5-I9 PolarHBondContact O-N 3.15Å; A6-I9 PolarHBondContact O-N 3.4Å; I7-I9 PolarHBondContact O-N 3.12Å; I9-N12 PolarHBondContact O-N 2.97Å; I9-N13 PolarHBondContact O-N 3.3Å; I9-N13 VanDerWaalsContact O-N 3.11Å; I9-N13 PolarHBondContact O-ND2 3.34Å; I9-V160 HydrophobicContact CB-CG2 4.04Å; I9-V160 HydrophobicContact CD1-CG2 3.9Å; I9-V160 HydrophobicContact CG2-CG1 4.29Å; I9-V160 HydrophobicContact CG2-CG2 3.78Å
10L88.2Confident78.1Confident2 Ų268.7 Ų68.71%0.0138%0.375CS..Hα-helixtrans-61.2-52.3179.7-74.5175000111.4A6 I7 N12 N13 L14 M38 V160 M163 I164 L167A6-L10 WeakPolarHBondContact O-CB 3.31Å; A6-L10 VanDerWaalsContact O-CG 3.24Å; A6-L10 WeakPolarHBondContact O-CG 3.21Å; A6-L10 PolarHBondContact O-N 3.17Å; I7-L10 PolarHBondContact O-N 3.42Å; L10-N12 PolarHBondContact O-N 3.02Å; L10-N12 VanDerWaalsContact O-N 3.14Å; L10-N13 CarbonylContact O-C 3.58Å; L10-N13 WeakPolarHBondContact O-CA 3.43Å; L10-N13 PolarHBondContact O-N 3.09Å; L10-L14 VanDerWaalsContact O-CG 3.25Å; L10-L14 WeakPolarHBondContact O-CG 3.31Å; L10-L14 PolarHBondContact O-N 3.25Å; L10-M38 HydrophobicContact CB-SD 4.16Å; L10-M38 HydrophobicContact CD1-CE 4.35Å; L10-V160 HydrophobicContact CD2-CG1 3.98Å; L10-V160 HydrophobicContact CG-CG1 4.45Å; L10-M163 HydrophobicContact CD1-CB 3.38Å; L10-M163 HydrophobicContact CD1-CE 4.38Å; L10-M163 HydrophobicContact CD1-CG 4.15Å; L10-I164 HydrophobicContact CD2-CD1 3.98Å; L10-I164 HydrophobicContact CD2-CG1 3.62Å; L10-L167 HydrophobicContact CD1-CD1 4.46Å
11K87.2Confident78.3Confident75 Ų7568 Ų6833%0.32638%0.384SS..Hα-helixtrans-55-36.2177.8-176-95.7172.6-175.70112.4I7 N13 I26I7-K11 WeakPolarHBondContact O-CB 3.29Å; I7-K11 PolarHBondContact O-N 3.38Å; K11-N13 VanDerWaalsContact C-N 3.32Å; K11-I26 HydrophobicContact CB-CD1 4.01Å; K11-I26 HydrophobicContact CB-CG1 4.11Å; K11-I26 HydrophobicContact CD-CD1 4.24Å; K11-I26 HydrophobicContact CD-CG1 4.42Å; K11-I26 HydrophobicContact CG-CD1 4.17Å; K11-I26 HydrophobicContact CG-CG1 4Å
12N86.6Confident79.6Confident105 Ų10559.3 Ų59.356%0.56134%0.342SS*.Hα-helixtrans-71.9-24.9176.6-69.7-11.2000113.4Q8 I9 L10Q8-N12 PolarHBondContact NE2-OD1 3.48Å; Q8-N12 WeakPolarHBondContact O-CB 3.43Å; Q8-N12 PolarHBondContact O-N 3.17Å; Q8-N12 PolarHBondContact O-ND2 3.43Å; Q8-N12 PolarHBondContact O-OD1 3.39Å; I9-N12 PolarHBondContact O-N 2.97Å; L10-N12 PolarHBondContact O-N 3.02Å; L10-N12 VanDerWaalsContact O-N 3.14Å
13N83.9Confident80Confident69 Ų6961.3 Ų61.337%0.36934%0.341SS..Hα-helixtrans-95.2-15.1177.8-74.2-80000113.2I9 L10 K11 I15 S182I9-N13 PolarHBondContact O-N 3.3Å; I9-N13 VanDerWaalsContact O-N 3.11Å; I9-N13 PolarHBondContact O-ND2 3.34Å; L10-N13 CarbonylContact O-C 3.58Å; L10-N13 WeakPolarHBondContact O-CA 3.43Å; L10-N13 PolarHBondContact O-N 3.09Å; K11-N13 VanDerWaalsContact C-N 3.32Å; N13-I15 PolarHBondContact O-N 3.26Å; N13-I15 VanDerWaalsContact O-N 3.1Å; N13-S182 WeakPolarHBondContact O-CB 3.29Å
14L79.7Confident80.3Confident14 Ų1461.2 Ų61.27%0.07334%0.341CS..SBendtrans-75.197.7171-65.4168.4000108.1L10 C16 W24 M38 L178 P179 S182L10-L14 VanDerWaalsContact O-CG 3.25Å; L10-L14 WeakPolarHBondContact O-CG 3.31Å; L10-L14 PolarHBondContact O-N 3.25Å; L14-C16 PolarHBondContact O-N 3.45Å; L14-W24 HydrophobicContact CB-CG 4.28Å; L14-W24 HydrophobicContact CD1-CD2 3.67Å; L14-W24 HydrophobicContact CD1-CE3 3.73Å; L14-W24 HydrophobicContact CD1-CG 4.03Å; L14-W24 HydrophobicContact CD1-CH2 4.49Å; L14-W24 HydrophobicContact CD1-CZ2 4.46Å; L14-W24 HydrophobicContact CD1-CZ3 4.16Å; L14-M38 HydrophobicContact CD1-CE 4.35Å; L14-M38 HydrophobicContact CD1-SD 3.82Å; L14-L178 HydrophobicContact CD2-CD2 3.58Å; L14-P179 HydrophobicContact CD2-CG 4.32Å; L14-S182 WeakPolarHBondContact CD2-OG 3.42Å
15I64.6Low80.6Confident101 Ų10161 Ų6152%0.51834%0.34SS..  trans-59.8135.5169.7-60.3168.7000107.4N13 D17 K181N13-I15 PolarHBondContact O-N 3.26Å; N13-I15 VanDerWaalsContact O-N 3.1Å; I15-D17 PolarHBondContact O-N 2.89Å; I15-K181 HydrophobicContact CD1-CB 4.04Å; I15-K181 HydrophobicContact CD1-CD 4.33Å
16C60.9Low80.9Confident79 Ų7958.5 Ų58.553%0.53433%0.326SS..  trans-55.1109.7168.5-1720000108.3L14 C18L14-C16 PolarHBondContact O-N 3.45Å; C16-C18 PolarHBondContact O-N 2.95Å; C16-C18 VanDerWaalsContact SG-SG 3.7Å
17D59.8Low81.2Confident67 Ų6760.3 Ų60.336%0.35834%0.336SS..  trans-7974.6172.9-172.510.1000108.2I15 D19 S20I15-D17 PolarHBondContact O-N 2.89Å; D17-D19 PolarHBondContact O-N 3.24Å; D17-S20 PolarHBondContact O-N 3.38Å; D17-S20 PolarHBondContact O-OG 3.21Å
18C55.3Low81.3Confident95 Ų9566.6 Ų66.664%0.64237%0.365SS*.G310 helixtrans-53.1-29-176.7-61.50000112.4C16 S20 G21C16-C18 PolarHBondContact O-N 2.95Å; C16-C18 VanDerWaalsContact SG-SG 3.7Å; C18-S20 VanDerWaalsContact C-N 3.29Å; C18-S20 PolarHBondContact O-N 3.11Å; C18-G21 PolarHBondContact O-N 3.03Å
19D64.9Low81.4Confident161 Ų16164 Ų6486%0.86135%0.353SS*.G310 helixtrans-70.8-26.5-178-64.8-21.6000112.1D17D17-D19 PolarHBondContact O-N 3.24Å
20S70.5Confident81.5Confident42 Ų4267.6 Ų67.629%0.29438%0.378SS..G310 helixtrans-82.1-13.1179.272.10000114D17 C18 G22 Y40D17-S20 PolarHBondContact O-N 3.38Å; D17-S20 PolarHBondContact O-OG 3.21Å; C18-S20 VanDerWaalsContact C-N 3.29Å; C18-S20 PolarHBondContact O-N 3.11Å; S20-G22 PolarHBondContact O-N 3.12Å; S20-G22 VanDerWaalsContact O-N 3.14Å; S20-G22 PolarHBondContact OG-N 3.08Å; S20-G22 VanDerWaalsContact OG-N 3.16Å; S20-Y40 PolarHBondContact OG-OH 3.31Å
21G81.7Confident81.6Confident55 Ų5570.7 Ų70.757%0.56741%0.41SS*.THydrogen-bonded Turntrans64.36.9-168.900000114.2C18 P43C18-G21 PolarHBondContact O-N 3.03Å; G21-P43 WeakPolarHBondContact O-CD 3.26Å
22G88.4Confident81.7Confident5 Ų573.5 Ų73.55%0.05242%0.42CS..  trans-92.5157.3177.700000113.3S20 R41S20-G22 PolarHBondContact O-N 3.12Å; S20-G22 VanDerWaalsContact O-N 3.14Å; S20-G22 PolarHBondContact OG-N 3.08Å; S20-G22 VanDerWaalsContact OG-N 3.16Å; G22-R41 CarbonylContact C-O 3.36Å; G22-R41 WeakPolarHBondContact CA-O 3.42Å
23E90.4Very high81.5Confident102 Ų10273 Ų7348%0.47742%0.422SS..EExtended strand (participates in β ladder)trans-132.7137.4-178.962.7176.3-179.900111.9F25 Y40 R41E23-F25 HydrophobicContact CG-CD1 4.17Å; E23-F25 HydrophobicContact CG-CE1 4.33Å; E23-Y40 WeakPolarHBondContact O-CA 3.27Å; E23-Y40 WeakPolarHBondContact O-CD2 3.28Å; E23-R41 HydrophobicContact CG-CB 4.13Å; E23-R41 PolarHBondContact N-O 3.15Å; E23-R41 PolarHBondContact O-N 3.5Å
24W91.9Very high81.5Confident28 Ų2875 Ų7511%0.10643%0.433CS..EExtended strand (participates in β ladder)trans-104.1129.2171-71.994.1000110L14 M38 V39 Y40 I71 L176L14-W24 HydrophobicContact CB-CG 4.28Å; L14-W24 HydrophobicContact CD1-CD2 3.67Å; L14-W24 HydrophobicContact CD1-CE3 3.73Å; L14-W24 HydrophobicContact CD1-CG 4.03Å; L14-W24 HydrophobicContact CD1-CH2 4.49Å; L14-W24 HydrophobicContact CD1-CZ2 4.46Å; L14-W24 HydrophobicContact CD1-CZ3 4.16Å; W24-M38 HydrophobicContact CE3-CE 4.4Å; W24-M38 HydrophobicContact CE3-CG 3.86Å; W24-M38 HydrophobicContact CE3-SD 4.13Å; W24-M38 HydrophobicContact CZ3-CE 3.8Å; W24-M38 HydrophobicContact CZ3-CG 3.97Å; W24-M38 HydrophobicContact CZ3-SD 4.13Å; W24-V39 WeakPolarHBondContact CA-O 3.14Å; W24-Y40 AromaticContact CD1-CD2 3.41Å; W24-Y40 VanDerWaalsContact CD1-CD2 3.41Å; W24-Y40 AromaticContact CD1-CE2 3.61Å; W24-Y40 AromaticContact CD2-CD2 3.52Å; W24-Y40 HydrophobicContact CD2-CD2 3.52Å; W24-Y40 HydrophobicContact CD2-CE2 4.41Å; W24-Y40 AromaticContact CD2-CG 3.92Å; W24-Y40 HydrophobicContact CD2-CG 3.92Å; W24-Y40 AromaticContact CE2-CD2 3.33Å; W24-Y40 AromaticContact CE2-CE2 3.92Å; W24-Y40 AromaticContact CE2-CG 3.66Å; W24-Y40 HydrophobicContact CE3-CD2 4.3Å; W24-Y40 HydrophobicContact CE3-CG 4.31Å; W24-Y40 AromaticContact CG-CD2 3.6Å; W24-Y40 HydrophobicContact CG-CD2 3.6Å; W24-Y40 HydrophobicContact CG-CE2 4.26Å; W24-Y40 HydrophobicContact CG-CG 4.45Å; W24-Y40 HydrophobicContact CH2-CG 4.27Å; W24-Y40 HydrophobicContact CZ2-CD1 4.34Å; W24-Y40 AromaticContact CZ2-CD2 4Å; W24-Y40 HydrophobicContact CZ2-CD2 4Å; W24-Y40 AromaticContact CZ2-CG 3.85Å; W24-Y40 HydrophobicContact CZ2-CG 3.85Å; W24-Y40 HydrophobicContact CZ3-CG 4.46Å; W24-Y40 AromaticContact NE1-CD2 3.22Å; W24-Y40 AromaticContact NE1-CE2 3.35Å; W24-Y40 AromaticContact NE1-CG 3.99Å; W24-I71 HydrophobicContact CZ3-CD1 3.99Å; W24-L176 HydrophobicContact CH2-CD1 3.52Å; W24-L176 HydrophobicContact CH2-CD2 4.03Å; W24-L176 HydrophobicContact CH2-CG 3.95Å; W24-L176 HydrophobicContact CZ2-CD1 3.7Å; W24-L176 HydrophobicContact CZ2-CG 4.41Å; W24-L176 HydrophobicContact CZ3-CD1 4.44Å
25F93Very high81.9Confident45 Ų4576.3 Ų76.320%0.19744%0.439CS..EExtended strand (participates in β ladder)trans-146.1170.2175.562.7-84.9000111.6E23 D27 V39 R41E23-F25 HydrophobicContact CG-CD1 4.17Å; E23-F25 HydrophobicContact CG-CE1 4.33Å; F25-D27 HydrophobicContact CD2-CB 4.47Å; F25-D27 HydrophobicContact CE2-CB 4.12Å; F25-V39 HydrophobicContact CD1-CB 4.29Å; F25-V39 HydrophobicContact CD2-CB 4.12Å; F25-V39 HydrophobicContact CD2-CG2 4.49Å; F25-V39 HydrophobicContact CE1-CB 3.89Å; F25-V39 HydrophobicContact CE1-CG1 3.67Å; F25-V39 HydrophobicContact CE2-CB 3.7Å; F25-V39 HydrophobicContact CE2-CG1 3.96Å; F25-V39 HydrophobicContact CE2-CG2 3.98Å; F25-V39 HydrophobicContact CG-CB 4.39Å; F25-V39 HydrophobicContact CZ-CB 3.58Å; F25-V39 HydrophobicContact CZ-CG1 3.34Å; F25-V39 HydrophobicContact CZ-CG2 4.24Å; F25-V39 PolarHBondContact N-O 3.05Å; F25-V39 PolarHBondContact O-N 2.98Å; F25-R41 HydrophobicContact CE1-CG 4.17Å
26I93.9Very high83.1Confident31 Ų3172.9 Ų72.916%0.15942%0.421CS..EExtended strand (participates in β ladder)trans-105127.9171.5-64.2170.4000106.5I7 Q8 K11 E28 L36 E37I7-I26 HydrophobicContact CG2-CD1 3.72Å; I7-I26 HydrophobicContact CG2-CG1 3.75Å; Q8-I26 VanDerWaalsContact OE1-CD1 3.31Å; K11-I26 HydrophobicContact CB-CD1 4.01Å; K11-I26 HydrophobicContact CB-CG1 4.11Å; K11-I26 HydrophobicContact CD-CD1 4.24Å; K11-I26 HydrophobicContact CD-CG1 4.42Å; K11-I26 HydrophobicContact CG-CD1 4.17Å; K11-I26 HydrophobicContact CG-CG1 4Å; I26-E28 HydrophobicContact CG2-CG 4.31Å; I26-L36 HydrophobicContact CG2-CB 4.24Å; I26-L36 HydrophobicContact CG2-CD2 4.09Å; I26-E37 CarbonylContact C-O 3.48Å; I26-E37 VanDerWaalsContact CA-O 3.31Å; I26-E37 WeakPolarHBondContact CA-O 3.43Å
27D94.7Very high84.8Confident39 Ų3969.1 Ų69.121%0.20940%0.396CS..EExtended strand (participates in β ladder)trans-98.8135.7172.6-1575.3000109.2F25 E37 V39 R70F25-D27 HydrophobicContact CD2-CB 4.47Å; F25-D27 HydrophobicContact CE2-CB 4.12Å; D27-E37 PolarHBondContact N-O 2.91Å; D27-E37 PolarHBondContact O-N 3.11Å; D27-E37 VanDerWaalsContact O-N 3.11Å; D27-V39 HydrophobicContact CB-CG2 3.76Å; D27-R70 IonicContact OD2-CZ 2.65Å; D27-R70 VanDerWaalsContact OD2-CZ 3.24Å; D27-R70 IonicContact OD2-NH1 3.33Å; D27-R70 PolarHBondContact OD2-NH1 2.87Å; D27-R70 IonicContact OD2-NH2 3.18Å; D27-R70 PolarHBondContact OD2-NH2 3.18Å
28E93.4Very high86.4Confident131 Ų13166 Ų6661%0.61238%0.379SS*.EExtended strand (participates in β ladder)trans-124.6131.9-177.2-46.1-168178.600109.3I26 L36I26-E28 HydrophobicContact CG2-CG 4.31Å; E28-L36 HydrophobicContact CB-CD2 4.09Å; E28-L36 HydrophobicContact CG-CD2 3.54Å
29F92.2Very high88.3Confident24 Ų2461.4 Ų61.411%0.10535%0.348CS..EExtended strand (participates in β ladder)trans-97.4129.1-178.8-57.8-73.8000112G31 Y32 E35 E37 H126 H128 L129F29-G31 PolarHBondContact O-N 2.65Å; F29-Y32 HydrophobicContact CB-CD2 4.27Å; F29-Y32 CarbonylContact O-C 3.56Å; F29-Y32 PolarHBondContact O-N 3.42Å; F29-E35 HydrophobicContact CD2-CB 4.23Å; F29-E35 VanDerWaalsContact CD2-O 3.3Å; F29-E35 WeakPolarHBondContact CD2-O 3.49Å; F29-E37 HydrophobicContact CE2-CG 3.86Å; F29-E37 VanDerWaalsContact CE2-OE1 3.24Å; F29-E37 WeakPolarHBondContact CE2-OE1 3.14Å; F29-E37 HydrophobicContact CZ-CG 4.41Å; F29-H126 AromaticContact CZ-CE1 3.72Å; F29-H128 HydrophobicContact CB-CB 4.41Å; F29-H128 HydrophobicContact CD1-CB 3.38Å; F29-H128 HydrophobicContact CD2-CB 3.88Å; F29-H128 AromaticContact CD2-CD2 3.44Å; F29-H128 VanDerWaalsContact CD2-CD2 3.44Å; F29-H128 WeakPolarHBondContact CD2-CD2 3.33Å; F29-H128 AromaticContact CD2-CG 3.67Å; F29-H128 HydrophobicContact CE1-CB 3.44Å; F29-H128 VanDerWaalsContact CE1-CB 3.44Å; F29-H128 HydrophobicContact CE2-CB 3.94Å; F29-H128 AromaticContact CE2-CD2 3.49Å; F29-H128 VanDerWaalsContact CE2-CD2 3.49Å; F29-H128 WeakPolarHBondContact CE2-CD2 3.31Å; F29-H128 AromaticContact CE2-CG 3.93Å; F29-H128 HydrophobicContact CG-CB 3.6Å; F29-H128 AromaticContact CG-CG 3.73Å; F29-H128 HydrophobicContact CZ-CB 3.73Å; F29-L129 HydrophobicContact CE1-CD2 3.8Å; F29-L129 HydrophobicContact CE1-CG 4.12Å
30V89.8Confident89.7Confident149 Ų14954.5 Ų54.590%0.90331%0.31SS*.THydrogen-bonded Turntrans-58.4125.1176.8179.70000109.9Y32V30-Y32 VanDerWaalsContact C-N 3.3Å
31G91.1Very high90.8Very high67 Ų6755.9 Ų55.969%0.69131%0.309SS*.THydrogen-bonded Turntrans86.5-7.2-177.300000114.7F29F29-G31 PolarHBondContact O-N 2.65Å
32Y89.8Confident91.3Very high134 Ų13455 Ų5553%0.52529%0.29SS..EExtended strand (participates in β ladder)trans-128.666.8178.2-56.4-85.5000110.6F29 V30 D34 E35F29-Y32 HydrophobicContact CB-CD2 4.27Å; F29-Y32 CarbonylContact O-C 3.56Å; F29-Y32 PolarHBondContact O-N 3.42Å; V30-Y32 VanDerWaalsContact C-N 3.3Å; Y32-D34 PolarHBondContact O-N 2.77Å; Y32-E35 PolarHBondContact O-N 2.88Å
33P82.5Confident91.3Very high94 Ų9457 Ų5761%0.6130%0.301SS*.EExtended strand (participates in β ladder)trans-63.3-12.4-179.529.6-36.9000112.9K4K4-P33 PolarHBondContact NZ-O 2.99Å
34D84.1Confident91.1Very high112 Ų11252.6 Ų52.660%0.59928%0.281SS*.EExtended strand (participates in β ladder)trans-86.4-14.8176-70.7-42.2000115.8K4 Y32 L36K4-D34 VanDerWaalsContact CE-CA 3.43Å; K4-D34 WeakPolarHBondContact CE-O 3.29Å; K4-D34 WeakPolarHBondContact CE-OD1 3.15Å; K4-D34 VanDerWaalsContact NZ-CA 3.3Å; K4-D34 IonicContact NZ-OD1 3.47Å; K4-D34 PolarHBondContact NZ-OD1 3.24Å; Y32-D34 PolarHBondContact O-N 2.77Å; D34-L36 PolarHBondContact O-N 2.93Å
35E86.8Confident90.7Very high42 Ų4256.8 Ų56.820%0.19631%0.305CS..EExtended strand (participates in β ladder)trans-10375.6-175.2-58.3-58.9151.800109.9F29 Y32 H75F29-E35 HydrophobicContact CD2-CB 4.23Å; F29-E35 VanDerWaalsContact CD2-O 3.3Å; F29-E35 WeakPolarHBondContact CD2-O 3.49Å; Y32-E35 PolarHBondContact O-N 2.88Å; E35-H75 IonicContact OE1-CD2 3.6Å; E35-H75 IonicContact OE1-CE1 2.73Å; E35-H75 IonicContact OE1-NE2 2.71Å; E35-H75 PolarHBondContact OE1-NE2 3.25Å; E35-H75 IonicContact OE2-NE2 3.53Å
36L91.3Very high89.9Confident28 Ų2856.7 Ų56.715%0.14731%0.306CS..EExtended strand (participates in β ladder)trans-91.4132.7174.7-62177.6000110.3K4 I7 I26 E28 D34K4-L36 HydrophobicContact CB-CD1 4.2Å; K4-L36 HydrophobicContact CD-CD1 4.02Å; K4-L36 HydrophobicContact CG-CD1 3.99Å; I7-L36 WeakPolarHBondContact CD1-O 3.44Å; I26-L36 HydrophobicContact CG2-CB 4.24Å; I26-L36 HydrophobicContact CG2-CD2 4.09Å; E28-L36 HydrophobicContact CB-CD2 4.09Å; E28-L36 HydrophobicContact CG-CD2 3.54Å; D34-L36 PolarHBondContact O-N 2.93Å
37E94.7Very high88.7Confident1 Ų157.1 Ų57.11%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-118.2134.9178.3-65.9179.9-176.200111.1I26 D27 F29 V39 R70 V72 H126I26-E37 CarbonylContact C-O 3.48Å; I26-E37 VanDerWaalsContact CA-O 3.31Å; I26-E37 WeakPolarHBondContact CA-O 3.43Å; D27-E37 PolarHBondContact N-O 2.91Å; D27-E37 PolarHBondContact O-N 3.11Å; D27-E37 VanDerWaalsContact O-N 3.11Å; F29-E37 HydrophobicContact CE2-CG 3.86Å; F29-E37 VanDerWaalsContact CE2-OE1 3.24Å; F29-E37 WeakPolarHBondContact CE2-OE1 3.14Å; F29-E37 HydrophobicContact CZ-CG 4.41Å; E37-V39 HydrophobicContact CB-CG2 4.31Å; E37-R70 WeakPolarHBondContact OE2-CD 3.43Å; E37-R70 IonicContact OE2-CZ 3.06Å; E37-R70 IonicContact OE2-NE 3.33Å; E37-R70 IonicContact OE2-NH1 3.24Å; E37-R70 PolarHBondContact OE2-NH1 3.4Å; E37-V72 HydrophobicContact CG-CG2 3.95Å; E37-H126 IonicContact OE1-CE1 3.62Å; E37-H126 PolarHBondContact OE1-CE1 3.09Å; E37-H126 IonicContact OE1-NE2 2.93Å; E37-H126 PolarHBondContact OE1-NE2 3.27Å; E37-H126 IonicContact OE2-CE1 3.93Å; E37-H126 IonicContact OE2-NE2 3.78Å; E37-H126 PolarHBondContact OE2-NE2 3.47Å
38M94.6Very high87Confident0 Ų063.4 Ų63.40%035%0.347CS..EExtended strand (participates in β ladder)trans-85.8123168-171.4164.270.300108.8I7 L10 L14 W24 I71 L167I7-M38 HydrophobicContact CD1-CB 4.31Å; I7-M38 HydrophobicContact CG1-CB 4.25Å; I7-M38 HydrophobicContact CG2-CB 4.04Å; L10-M38 HydrophobicContact CB-SD 4.16Å; L10-M38 HydrophobicContact CD1-CE 4.35Å; L14-M38 HydrophobicContact CD1-CE 4.35Å; L14-M38 HydrophobicContact CD1-SD 3.82Å; W24-M38 HydrophobicContact CE3-CE 4.4Å; W24-M38 HydrophobicContact CE3-CG 3.86Å; W24-M38 HydrophobicContact CE3-SD 4.13Å; W24-M38 HydrophobicContact CZ3-CE 3.8Å; W24-M38 HydrophobicContact CZ3-CG 3.97Å; W24-M38 HydrophobicContact CZ3-SD 4.13Å; M38-I71 HydrophobicContact CB-CB 4.3Å; M38-I71 HydrophobicContact CB-CD1 4.04Å; M38-I71 HydrophobicContact CE-CD1 3.28Å; M38-I71 HydrophobicContact CG-CD1 4.18Å; M38-I71 PolarHBondContact N-O 3.09Å; M38-I71 PolarHBondContact O-N 3.33Å; M38-L167 HydrophobicContact CE-CD1 3.81Å
39V95.3Very high85Confident0 Ų059.2 Ų59.20%033%0.332CS..EExtended strand (participates in β ladder)trans-118.6137-174.8-172.80000109.9W24 F25 D27 E37 R41 E68 Y69 R70W24-V39 WeakPolarHBondContact CA-O 3.14Å; F25-V39 HydrophobicContact CD1-CB 4.29Å; F25-V39 HydrophobicContact CD2-CB 4.12Å; F25-V39 HydrophobicContact CD2-CG2 4.49Å; F25-V39 HydrophobicContact CE1-CB 3.89Å; F25-V39 HydrophobicContact CE1-CG1 3.67Å; F25-V39 HydrophobicContact CE2-CB 3.7Å; F25-V39 HydrophobicContact CE2-CG1 3.96Å; F25-V39 HydrophobicContact CE2-CG2 3.98Å; F25-V39 HydrophobicContact CG-CB 4.39Å; F25-V39 HydrophobicContact CZ-CB 3.58Å; F25-V39 HydrophobicContact CZ-CG1 3.34Å; F25-V39 HydrophobicContact CZ-CG2 4.24Å; F25-V39 PolarHBondContact N-O 3.05Å; F25-V39 PolarHBondContact O-N 2.98Å; D27-V39 HydrophobicContact CB-CG2 3.76Å; E37-V39 HydrophobicContact CB-CG2 4.31Å; V39-R41 HydrophobicContact CG1-CG 4.42Å; V39-E68 HydrophobicContact CG1-CG 4.1Å; V39-Y69 CarbonylContact C-O 3.53Å; V39-Y69 VanDerWaalsContact CA-O 3.31Å; V39-Y69 WeakPolarHBondContact CA-O 3.37Å; V39-R70 HydrophobicContact CG1-CG 4.16Å; V39-R70 HydrophobicContact CG2-CG 4.05Å
40Y94.6Very high83Confident15 Ų1565 Ų656%0.05936%0.364CS..EExtended strand (participates in β ladder)trans-124.3125.9168.7-177.1-119000110.2S20 E23 W24 K42 Y69 L176S20-Y40 PolarHBondContact OG-OH 3.31Å; E23-Y40 WeakPolarHBondContact O-CA 3.27Å; E23-Y40 WeakPolarHBondContact O-CD2 3.28Å; W24-Y40 AromaticContact CD1-CD2 3.41Å; W24-Y40 VanDerWaalsContact CD1-CD2 3.41Å; W24-Y40 AromaticContact CD1-CE2 3.61Å; W24-Y40 AromaticContact CD2-CD2 3.52Å; W24-Y40 HydrophobicContact CD2-CD2 3.52Å; W24-Y40 HydrophobicContact CD2-CE2 4.41Å; W24-Y40 AromaticContact CD2-CG 3.92Å; W24-Y40 HydrophobicContact CD2-CG 3.92Å; W24-Y40 AromaticContact CE2-CD2 3.33Å; W24-Y40 AromaticContact CE2-CE2 3.92Å; W24-Y40 AromaticContact CE2-CG 3.66Å; W24-Y40 HydrophobicContact CE3-CD2 4.3Å; W24-Y40 HydrophobicContact CE3-CG 4.31Å; W24-Y40 AromaticContact CG-CD2 3.6Å; W24-Y40 HydrophobicContact CG-CD2 3.6Å; W24-Y40 HydrophobicContact CG-CE2 4.26Å; W24-Y40 HydrophobicContact CG-CG 4.45Å; W24-Y40 HydrophobicContact CH2-CG 4.27Å; W24-Y40 HydrophobicContact CZ2-CD1 4.34Å; W24-Y40 AromaticContact CZ2-CD2 4Å; W24-Y40 HydrophobicContact CZ2-CD2 4Å; W24-Y40 AromaticContact CZ2-CG 3.85Å; W24-Y40 HydrophobicContact CZ2-CG 3.85Å; W24-Y40 HydrophobicContact CZ3-CG 4.46Å; W24-Y40 AromaticContact NE1-CD2 3.22Å; W24-Y40 AromaticContact NE1-CE2 3.35Å; W24-Y40 AromaticContact NE1-CG 3.99Å; Y40-K42 HydrophobicContact CD1-CG 4.39Å; Y40-K42 HydrophobicContact CE1-CB 3.91Å; Y40-K42 HydrophobicContact CE1-CD 3.71Å; Y40-K42 HydrophobicContact CE1-CG 3.76Å; Y40-Y69 AromaticContact CD1-CD2 3.99Å; Y40-Y69 HydrophobicContact CD1-CD2 3.99Å; Y40-Y69 HydrophobicContact CD1-CE2 4.48Å; Y40-Y69 PolarHBondContact N-O 3.07Å; Y40-Y69 PolarHBondContact O-N 2.98Å; Y40-L176 HydrophobicContact CD1-CD1 3.25Å; Y40-L176 HydrophobicContact CE1-CD1 4.05Å; Y40-L176 HydrophobicContact CG-CD1 3.79Å
41R93.4Very high81Confident72 Ų7263.9 Ų63.927%0.27236%0.357SS..EExtended strand (participates in β ladder)trans-114138.9172.2-73.2179.9173.6146.13.2109.7G22 E23 F25 V39 L66 A67 E68G22-R41 CarbonylContact C-O 3.36Å; G22-R41 WeakPolarHBondContact CA-O 3.42Å; E23-R41 HydrophobicContact CG-CB 4.13Å; E23-R41 PolarHBondContact N-O 3.15Å; E23-R41 PolarHBondContact O-N 3.5Å; F25-R41 HydrophobicContact CE1-CG 4.17Å; V39-R41 HydrophobicContact CG1-CG 4.42Å; R41-L66 HydrophobicContact CB-CD1 4.39Å; R41-A67 CarbonylContact C-O 3.56Å; R41-A67 VanDerWaalsContact CA-O 3.27Å; R41-A67 WeakPolarHBondContact CA-O 3.3Å; R41-E68 HydrophobicContact CG-CB 4.21Å; R41-E68 HydrophobicContact CG-CG 4.06Å; R41-E68 IonicContact CZ-OE2 2.84Å; R41-E68 VanDerWaalsContact CZ-OE2 3.24Å; R41-E68 IonicContact NE-OE2 2.64Å; R41-E68 PolarHBondContact NE-OE2 2.86Å; R41-E68 IonicContact NH2-OE1 2.76Å; R41-E68 PolarHBondContact NH2-OE1 2.97Å; R41-E68 IonicContact NH2-OE2 2.77Å; R41-E68 PolarHBondContact NH2-OE2 2.83Å
42K91.1Very high78.9Confident36 Ų3664.8 Ų64.816%0.15735%0.354CS..EExtended strand (participates in β ladder)trans-147.8146.3170.760.7166173.6-177.30112.3Y40 I44 A67 G175Y40-K42 HydrophobicContact CD1-CG 4.39Å; Y40-K42 HydrophobicContact CE1-CB 3.91Å; Y40-K42 HydrophobicContact CE1-CD 3.71Å; Y40-K42 HydrophobicContact CE1-CG 3.76Å; K42-I44 HydrophobicContact CG-CG1 4.48Å; K42-A67 HydrophobicContact CG-CB 4.16Å; K42-A67 PolarHBondContact N-O 3.31Å; K42-A67 PolarHBondContact O-N 3.32Å; K42-G175 PolarHBondContact NZ-O 3.1Å
43P89.7Confident76.9Confident46 Ų4669.2 Ų69.230%0.29937%0.369SS..EExtended strand (participates in β ladder)trans-71.8148165.532.1-33.8000110.5G21 E64 I65G21-P43 WeakPolarHBondContact O-CD 3.26Å; P43-E64 HydrophobicContact CB-CG 4.15Å; P43-E64 VanDerWaalsContact CB-OE1 3.29Å; P43-E64 WeakPolarHBondContact CB-OE1 3.44Å; P43-I65 CarbonylContact C-O 3.5Å
44I86Confident75.3Confident11 Ų1172.5 Ų72.56%0.05638%0.381CS..EExtended strand (participates in β ladder)trans-130.8123.9175.2-60.4-174.4000107.2K42 L46 E64 I65 A67 V108K42-I44 HydrophobicContact CG-CG1 4.48Å; I44-L46 HydrophobicContact CG2-CD2 4.39Å; I44-E64 WeakPolarHBondContact O-CA 3.5Å; I44-I65 HydrophobicContact CB-CB 4.32Å; I44-I65 PolarHBondContact N-O 3.16Å; I44-I65 PolarHBondContact O-N 2.86Å; I44-A67 HydrophobicContact CD1-CB 3.55Å; I44-A67 HydrophobicContact CG1-CB 4.08Å; I44-V108 HydrophobicContact CD1-CB 4.12Å; I44-V108 HydrophobicContact CD1-CG1 3.71Å; I44-V108 HydrophobicContact CD1-CG2 3.59Å; I44-V108 HydrophobicContact CG2-CG2 3.79Å
45L82.7Confident73.5Confident116 Ų11673.9 Ų73.961%0.60739%0.387SS*.EExtended strand (participates in β ladder)trans-86.3117.2168.6-62.2176.2000108.5G47 E64L45-G47 PolarHBondContact O-N 3.25Å; L45-E64 HydrophobicContact CD2-CB 4.39Å; L45-E64 HydrophobicContact CD2-CG 4.22Å
46L77.3Confident71.2Confident42 Ų4277.6 Ų77.622%0.2241%0.413CS..PPolyproline II helixtrans-72.4126.5171.4-65.3-179.2000109.7I44 D63 I65 F104I44-L46 HydrophobicContact CG2-CD2 4.39Å; L46-D63 HydrophobicContact CD1-CB 4.12Å; L46-I65 HydrophobicContact CD1-CD1 4.21Å; L46-I65 HydrophobicContact CD1-CG1 3.64Å; L46-I65 HydrophobicContact CD2-CG1 4.29Å; L46-I65 HydrophobicContact CG-CG1 3.8Å; L46-F104 HydrophobicContact CD2-CB 4.49Å; L46-F104 HydrophobicContact CD2-CD2 3.91Å
47G68.5Low69.2Low41 Ų4182 Ų8242%0.42345%0.446SS..PPolyproline II helixtrans-65.8149.9170.600000112L45 S107L45-G47 PolarHBondContact O-N 3.25Å; G47-S107 PolarHBondContact N-OG 2.97Å
48E59.1Low67Low170 Ų17090.7 Ų90.779%0.79449%0.487SS*.PPolyproline II helixtrans-61.8135.9173.2-69.2-177.7178.500110.8N50E48-N50 PolarHBondContact O-N 3.04Å
49S50.9Low64.7Low43 Ų4395.2 Ų95.230%0.30152%0.518SS..PPolyproline II helixtrans-69.8123.9171.7-23.70000109.7T51 S52 N103S49-T51 PolarHBondContact O-N 2.97Å; S49-S52 PolarHBondContact O-N 2.94Å; S49-N103 VanDerWaalsContact CA-OD1 3.29Å; S49-N103 WeakPolarHBondContact CA-OD1 3.31Å; S49-N103 VanDerWaalsContact CB-ND2 3.29Å; S49-N103 WeakPolarHBondContact CB-ND2 3.44Å; S49-N103 WeakPolarHBondContact CB-OD1 3.32Å; S49-N103 PolarHBondContact OG-ND2 3.29Å
50N49.2Very low62.3Low147 Ų147102.3 Ų102.379%0.78656%0.556SS**THydrogen-bonded Turntrans-61.5-9.2172.3-83.9-24.9000113.7E48E48-N50 PolarHBondContact O-N 3.04Å
51T48.8Very low60.3Low124 Ų124108.6 Ų108.676%0.76159%0.589SS**THydrogen-bonded Turntrans-86.4-1-176.649.20000115.8S49S49-T51 PolarHBondContact O-N 2.97Å
52S45.6Very low58.5Low87 Ų87108.9 Ų108.961%0.60860%0.603SS**  trans-128.549.9-175.2-60.70000113.7S49 L54S49-S52 PolarHBondContact O-N 2.94Å; S52-L54 PolarHBondContact O-N 3.02Å; S52-L54 VanDerWaalsContact O-N 3.15Å
53R48.3Very low57.6Low226 Ų226111.6 Ų111.685%0.85362%0.619SS**THydrogen-bonded Turntrans-74.714.1171.9-91.7-170.9160.2145.10.8115.4
54L50.3Low57.3Low163 Ų163112.5 Ų112.585%0.85362%0.619SS**THydrogen-bonded Turntrans-133.715.7-175.7-80.9177.8000117.7S52S52-L54 PolarHBondContact O-N 3.02Å; S52-L54 VanDerWaalsContact O-N 3.15Å
55L44.4Very low57.3Low141 Ų141112 Ų11274%0.73862%0.616SS**SBendtrans-132.2102.1172.3-66.7173.6000113.3
56T40.3Very low57.7Low120 Ų120109.6 Ų109.674%0.73660%0.604SS**  trans49.5133.3141.256.90000120.8E58T56-E58 VanDerWaalsContact C-N 3.25Å; T56-E58 PolarHBondContact O-N 2.78Å
57S48.7Very low58.5Low120 Ų120107.6 Ų107.684%0.83959%0.593SS**THydrogen-bonded Turntrans-61.531.9-167.553.40000119
58E48.3Very low59.7Low185 Ų185105.8 Ų105.886%0.86457%0.574SS**THydrogen-bonded Turntrans-119.88.2176.1-77.6-178.6170.100114.7T56T56-E58 VanDerWaalsContact C-N 3.25Å; T56-E58 PolarHBondContact O-N 2.78Å
59S45.9Very low61.4Low94 Ų9497.7 Ų97.766%0.65754%0.536SS*.  trans-102.621179.867.40000115.9L61S59-L61 PolarHBondContact O-N 2.81Å
60L46.3Very low63.6Low150 Ų15095.8 Ų95.879%0.78552%0.522SS*.  trans-74.74.2179.2-67.4-177.2000115.1S62L60-S62 PolarHBondContact O-N 2.94Å
61L51.2Low65.8Low146 Ų14688.8 Ų88.876%0.76449%0.485SS*.SBendtrans-82104.7169.1-65.5174.9000107.2S59 D63S59-L61 PolarHBondContact O-N 2.81Å; L61-D63 PolarHBondContact O-N 2.72Å
62S56.8Low68Low79 Ų7983.8 Ų83.855%0.55245%0.454SS*.  trans-51.8114.1158.347.20000107.5L60 E64L60-S62 PolarHBondContact O-N 2.94Å; S62-E64 VanDerWaalsContact C-N 3.29Å; S62-E64 PolarHBondContact O-N 3.49Å
63D72.2Confident70.3Confident93 Ų9381.5 Ų81.550%0.49743%0.433SS..  trans-68.594.5175.4-85.8-22.7000107.1L46 L61 I65L46-D63 HydrophobicContact CD1-CB 4.12Å; L61-D63 PolarHBondContact O-N 2.72Å; D63-I65 PolarHBondContact O-N 3.04Å
64E81.9Confident72.5Confident64 Ų6471.9 Ų71.930%0.29940%0.401SS..EExtended strand (participates in β ladder)trans-71.4123.3171.2-166.8-178.214900108.7P43 I44 L45 S62 K89P43-E64 HydrophobicContact CB-CG 4.15Å; P43-E64 VanDerWaalsContact CB-OE1 3.29Å; P43-E64 WeakPolarHBondContact CB-OE1 3.44Å; I44-E64 WeakPolarHBondContact O-CA 3.5Å; L45-E64 HydrophobicContact CD2-CB 4.39Å; L45-E64 HydrophobicContact CD2-CG 4.22Å; S62-E64 VanDerWaalsContact C-N 3.29Å; S62-E64 PolarHBondContact O-N 3.49Å; E64-K89 HydrophobicContact CB-CD 4.43Å; E64-K89 HydrophobicContact CB-CG 4.24Å; E64-K89 VanDerWaalsContact CD-CE 3.4Å; E64-K89 WeakPolarHBondContact OE2-CE 3.46Å; E64-K89 IonicContact OE2-NZ 3.59Å; E64-K89 PolarHBondContact OE2-NZ 3.41Å
65I87.6Confident74.4Confident0 Ų069.2 Ų69.20%038%0.384CS..EExtended strand (participates in β ladder)trans-107.3128.6178.6-60.1-53.8000108.6P43 I44 L46 D63 F86 Q87 T88 L94 F104P43-I65 CarbonylContact C-O 3.5Å; I44-I65 HydrophobicContact CB-CB 4.32Å; I44-I65 PolarHBondContact N-O 3.16Å; I44-I65 PolarHBondContact O-N 2.86Å; L46-I65 HydrophobicContact CD1-CD1 4.21Å; L46-I65 HydrophobicContact CD1-CG1 3.64Å; L46-I65 HydrophobicContact CD2-CG1 4.29Å; L46-I65 HydrophobicContact CG-CG1 3.8Å; D63-I65 PolarHBondContact O-N 3.04Å; I65-F86 HydrophobicContact CG2-CB 3.85Å; I65-F86 HydrophobicContact CG2-CD1 4.43Å; I65-Q87 CarbonylContact C-O 3.4Å; I65-Q87 VanDerWaalsContact CA-O 3.29Å; I65-Q87 WeakPolarHBondContact CA-O 3.41Å; I65-T88 HydrophobicContact CD1-CG2 4.08Å; I65-L94 HydrophobicContact CD1-CD1 3.73Å; I65-L94 HydrophobicContact CD1-CD2 3.92Å; I65-L94 HydrophobicContact CD1-CG 4.11Å; I65-L94 HydrophobicContact CG1-CD1 3.95Å; I65-L94 HydrophobicContact CG2-CD1 3.82Å; I65-F104 HydrophobicContact CG2-CE2 4.44Å
66L91Very high76.7Confident66 Ų6667.9 Ų67.935%0.34639%0.386SS..EExtended strand (participates in β ladder)trans-83.8116.2167-175.965.5000108.5R41 F86 Q87R41-L66 HydrophobicContact CB-CD1 4.39Å; L66-F86 WeakPolarHBondContact O-CA 3.12Å; L66-Q87 PolarHBondContact N-O 2.81Å; L66-Q87 PolarHBondContact O-N 3.07Å
67A92.2Very high79.3Confident0 Ų067.1 Ų67.10%037%0.371CS..EExtended strand (participates in β ladder)trans-92.2132.1168.700000109.7R41 K42 I44 Y69 F86R41-A67 CarbonylContact C-O 3.56Å; R41-A67 VanDerWaalsContact CA-O 3.27Å; R41-A67 WeakPolarHBondContact CA-O 3.3Å; K42-A67 HydrophobicContact CG-CB 4.16Å; K42-A67 PolarHBondContact N-O 3.31Å; K42-A67 PolarHBondContact O-N 3.32Å; I44-A67 HydrophobicContact CD1-CB 3.55Å; I44-A67 HydrophobicContact CG1-CB 4.08Å; A67-Y69 HydrophobicContact CB-CD2 4.45Å; A67-Y69 HydrophobicContact CB-CE2 3.7Å; A67-F86 HydrophobicContact CB-CD1 3.59Å; A67-F86 HydrophobicContact CB-CE1 3.65Å
68E94.6Very high81.5Confident4 Ų467.5 Ų67.52%0.01936%0.359CS..EExtended strand (participates in β ladder)trans-122.3123.5173.5-178.9167.9148.200108.7V39 R41 R70 M84 R85 F133V39-E68 HydrophobicContact CG1-CG 4.1Å; R41-E68 HydrophobicContact CG-CB 4.21Å; R41-E68 HydrophobicContact CG-CG 4.06Å; R41-E68 IonicContact CZ-OE2 2.84Å; R41-E68 VanDerWaalsContact CZ-OE2 3.24Å; R41-E68 IonicContact NE-OE2 2.64Å; R41-E68 PolarHBondContact NE-OE2 2.86Å; R41-E68 IonicContact NH2-OE1 2.76Å; R41-E68 PolarHBondContact NH2-OE1 2.97Å; R41-E68 IonicContact NH2-OE2 2.77Å; R41-E68 PolarHBondContact NH2-OE2 2.83Å; E68-R70 HydrophobicContact CG-CG 4.31Å; E68-R70 IonicContact OE1-CZ 2.79Å; E68-R70 IonicContact OE1-NE 3.65Å; E68-R70 PolarHBondContact OE1-NE 3.32Å; E68-R70 IonicContact OE1-NH2 3.24Å; E68-R70 PolarHBondContact OE1-NH2 2.85Å; E68-M84 CarbonylContact O-C 3.5Å; E68-M84 WeakPolarHBondContact O-CA 3.41Å; E68-R85 HydrophobicContact CB-CB 4.47Å; E68-R85 PolarHBondContact N-O 3.17Å; E68-R85 PolarHBondContact O-N 3.31Å; E68-F133 HydrophobicContact CG-CE1 4.34Å
69Y95.5Very high83.7Confident0 Ų058.8 Ų58.80%032%0.318CS..EExtended strand (participates in β ladder)trans-113.6132.1174.6-59-95000108.1V39 Y40 A67 L82 L83 M84 F174 L176V39-Y69 CarbonylContact C-O 3.53Å; V39-Y69 VanDerWaalsContact CA-O 3.31Å; V39-Y69 WeakPolarHBondContact CA-O 3.37Å; Y40-Y69 AromaticContact CD1-CD2 3.99Å; Y40-Y69 HydrophobicContact CD1-CD2 3.99Å; Y40-Y69 HydrophobicContact CD1-CE2 4.48Å; Y40-Y69 PolarHBondContact N-O 3.07Å; Y40-Y69 PolarHBondContact O-N 2.98Å; A67-Y69 HydrophobicContact CB-CD2 4.45Å; A67-Y69 HydrophobicContact CB-CE2 3.7Å; Y69-L82 HydrophobicContact CD1-CD1 4.26Å; Y69-L83 CarbonylContact C-O 3.49Å; Y69-L83 WeakPolarHBondContact CA-O 3.33Å; Y69-M84 HydrophobicContact CD1-CG 3.69Å; Y69-M84 HydrophobicContact CD1-SD 4.16Å; Y69-M84 HydrophobicContact CE1-CG 3.98Å; Y69-M84 HydrophobicContact CE1-SD 3.93Å; Y69-F174 WeakPolarHBondContact CE1-O 3.33Å; Y69-F174 PolarHBondContact OH-O 3.44Å; Y69-L176 HydrophobicContact CD1-CB 3.85Å; Y69-L176 HydrophobicContact CD1-CD1 4.47Å; Y69-L176 HydrophobicContact CD1-CD2 4.26Å; Y69-L176 HydrophobicContact CD1-CG 4.43Å; Y69-L176 HydrophobicContact CD2-CD1 4.02Å; Y69-L176 HydrophobicContact CE1-CB 4Å; Y69-L176 HydrophobicContact CG-CB 4.18Å; Y69-L176 HydrophobicContact CG-CD1 3.94Å; Y69-L176 HydrophobicContact CG-CD2 4.17Å; Y69-L176 HydrophobicContact CG-CG 4.34Å
70R96.6Very high86.1Confident2 Ų254.4 Ų54.41%0.00829%0.288CS..EExtended strand (participates in β ladder)trans-124.9137174.5-56.8-176.3157.9-106.8-9.4110D27 E37 V39 E68 V72 L83 H126 F133D27-R70 IonicContact OD2-CZ 2.65Å; D27-R70 VanDerWaalsContact OD2-CZ 3.24Å; D27-R70 IonicContact OD2-NH1 3.33Å; D27-R70 PolarHBondContact OD2-NH1 2.87Å; D27-R70 IonicContact OD2-NH2 3.18Å; D27-R70 PolarHBondContact OD2-NH2 3.18Å; E37-R70 WeakPolarHBondContact OE2-CD 3.43Å; E37-R70 IonicContact OE2-CZ 3.06Å; E37-R70 IonicContact OE2-NE 3.33Å; E37-R70 IonicContact OE2-NH1 3.24Å; E37-R70 PolarHBondContact OE2-NH1 3.4Å; V39-R70 HydrophobicContact CG1-CG 4.16Å; V39-R70 HydrophobicContact CG2-CG 4.05Å; E68-R70 HydrophobicContact CG-CG 4.31Å; E68-R70 IonicContact OE1-CZ 2.79Å; E68-R70 IonicContact OE1-NE 3.65Å; E68-R70 PolarHBondContact OE1-NE 3.32Å; E68-R70 IonicContact OE1-NH2 3.24Å; E68-R70 PolarHBondContact OE1-NH2 2.85Å; R70-V72 HydrophobicContact CB-CG2 4.35Å; R70-L83 HydrophobicContact CB-CB 4.2Å; R70-L83 PolarHBondContact N-O 2.93Å; R70-L83 PolarHBondContact O-N 2.73Å; R70-H126 WeakPolarHBondContact CD-NE2 3.24Å; R70-F133 HydrophobicContact CG-CE1 3.98Å; R70-F133 HydrophobicContact CG-CZ 4.4Å
71I95.6Very high88.4Confident0 Ų047.6 Ų47.60%025%0.253CS..EExtended strand (participates in β ladder)trans-113102.7-180-54.8148.4000107.1Y3 W24 M38 P80 V81 M163 W166 L167 L176Y3-I71 PolarHBondContact OH-O 3.49Å; Y3-I71 VanDerWaalsContact OH-O 3.07Å; W24-I71 HydrophobicContact CZ3-CD1 3.99Å; M38-I71 HydrophobicContact CB-CB 4.3Å; M38-I71 HydrophobicContact CB-CD1 4.04Å; M38-I71 HydrophobicContact CE-CD1 3.28Å; M38-I71 HydrophobicContact CG-CD1 4.18Å; M38-I71 PolarHBondContact N-O 3.09Å; M38-I71 PolarHBondContact O-N 3.33Å; I71-P80 HydrophobicContact CG2-CB 4.09Å; I71-V81 WeakPolarHBondContact CA-O 3.37Å; I71-M163 HydrophobicContact CG2-CE 3.72Å; I71-W166 HydrophobicContact CG1-CZ3 4.14Å; I71-W166 HydrophobicContact CG2-CE3 4.48Å; I71-W166 HydrophobicContact CG2-CH2 3.93Å; I71-W166 HydrophobicContact CG2-CZ3 3.6Å; I71-L167 HydrophobicContact CD1-CD2 3.59Å; I71-L167 HydrophobicContact CG1-CD2 4.21Å; I71-L176 HydrophobicContact CD1-CD2 4.24Å
72V94.5Very high90.6Very high19 Ų1940.7 Ų40.712%0.11522%0.216CC..EExtended strand (participates in β ladder)trans-105.3150.3-174.5-171.40000108.8E37 R70 P80 V81 L83E37-V72 HydrophobicContact CG-CG2 3.95Å; R70-V72 HydrophobicContact CB-CG2 4.35Å; V72-P80 CarbonylContact O-C 3.49Å; V72-P80 WeakPolarHBondContact O-CA 3.34Å; V72-V81 PolarHBondContact N-O 3.11Å; V72-V81 PolarHBondContact O-N 2.92Å; V72-L83 HydrophobicContact CG2-CD1 3.67Å; V72-L83 HydrophobicContact CG2-CG 3.98Å
73F93.8Very high92.5Very high40 Ų4037 Ų3718%0.17519%0.191CC..EExtended strand (participates in β ladder)trans-95.5125.7173.8-170.3-106.2000111.2Y3 H75Y3-F73 HydrophobicContact CD1-CB 3.74Å; Y3-F73 HydrophobicContact CD1-CD2 4.21Å; Y3-F73 HydrophobicContact CD1-CG 4.09Å; Y3-F73 HydrophobicContact CD2-CB 4.47Å; Y3-F73 AromaticContact CD2-CD2 3.63Å; Y3-F73 HydrophobicContact CD2-CD2 3.63Å; Y3-F73 HydrophobicContact CD2-CE2 4.26Å; Y3-F73 HydrophobicContact CD2-CG 4.33Å; Y3-F73 HydrophobicContact CE1-CB 3.51Å; Y3-F73 HydrophobicContact CE1-CD2 4.44Å; Y3-F73 HydrophobicContact CE1-CG 4.29Å; Y3-F73 HydrophobicContact CE2-CB 4.27Å; Y3-F73 AromaticContact CE2-CD2 3.89Å; Y3-F73 HydrophobicContact CE2-CD2 3.89Å; Y3-F73 HydrophobicContact CG-CB 4.21Å; Y3-F73 AromaticContact CG-CD2 3.78Å; Y3-F73 HydrophobicContact CG-CD2 3.78Å; Y3-F73 HydrophobicContact CG-CE2 4.42Å; Y3-F73 HydrophobicContact CG-CG 4.1Å; F73-H75 AromaticContact CD1-ND1 3.78Å; F73-H75 AromaticContact CE1-ND1 3.92Å; F73-H75 PolarHBondContact O-N 3.19Å
74S93.9Very high93.5Very high24 Ų2432.7 Ų32.717%0.16817%0.167CC..EExtended strand (participates in β ladder)trans-85.5110.8169-178.60000110.1S76 Y77 Q78 V79S74-S76 VanDerWaalsContact C-N 3.26Å; S74-S76 PolarHBondContact O-N 3.23Å; S74-Y77 PolarHBondContact O-N 2.71Å; S74-Y77 WeakPolarHBondContact OG-CD2 3.36Å; S74-Y77 PolarHBondContact OG-N 3.39Å; S74-Q78 VanDerWaalsContact O-CA 3.29Å; S74-Q78 WeakPolarHBondContact O-CA 3.31Å; S74-Q78 PolarHBondContact O-N 3.37Å; S74-V79 PolarHBondContact N-O 3.47Å; S74-V79 PolarHBondContact O-N 3.09Å
75H91.5Very high94.1Very high106 Ų10631.3 Ų31.349%0.49116%0.159SC..THydrogen-bonded Turntrans-64-30.9172.9-64.4-74.8000112.6E35 F73 Q78E35-H75 IonicContact OE1-CD2 3.6Å; E35-H75 IonicContact OE1-CE1 2.73Å; E35-H75 IonicContact OE1-NE2 2.71Å; E35-H75 PolarHBondContact OE1-NE2 3.25Å; E35-H75 IonicContact OE2-NE2 3.53Å; F73-H75 AromaticContact CD1-ND1 3.78Å; F73-H75 AromaticContact CE1-ND1 3.92Å; F73-H75 PolarHBondContact O-N 3.19Å; H75-Q78 PolarHBondContact O-NE2 3.15Å
76S93.3Very high94.2Very high114 Ų11431.6 Ų31.680%0.79716%0.161SC*.THydrogen-bonded Turntrans-74.1-40.7179.3-570000112.6S74S74-S76 VanDerWaalsContact C-N 3.26Å; S74-S76 PolarHBondContact O-N 3.23Å
77Y94.4Very high94.1Very high103 Ų10329.5 Ų29.540%0.40415%0.149SC..THydrogen-bonded Turntrans-91.5-10.4179.4-71-88.3000113.5S74 V79 H137 P138 C139S74-Y77 PolarHBondContact O-N 2.71Å; S74-Y77 WeakPolarHBondContact OG-CD2 3.36Å; S74-Y77 PolarHBondContact OG-N 3.39Å; Y77-V79 VanDerWaalsContact C-N 3.28Å; Y77-V79 PolarHBondContact O-N 3.23Å; Y77-H137 AromaticContact CZ-CE1 3.97Å; Y77-H137 PolarHBondContact OH-CE1 2.88Å; Y77-H137 VanDerWaalsContact OH-CE1 3.26Å; Y77-P138 HydrophobicContact CD1-CG 4.34Å; Y77-P138 HydrophobicContact CD2-CB 4.25Å; Y77-P138 HydrophobicContact CD2-CG 3.44Å; Y77-P138 VanDerWaalsContact CD2-CG 3.44Å; Y77-P138 HydrophobicContact CE2-CG 3.76Å; Y77-P138 HydrophobicContact CG-CB 4.06Å; Y77-P138 HydrophobicContact CG-CG 3.75Å; Y77-C139 HydrophobicContact CE1-CB 3.75Å
78Q93.7Very high93.8Very high128 Ų12831 Ų3160%0.59816%0.158SC*.THydrogen-bonded Turntrans56.538.5-177.2-65.5-71-50.800113.2S74 H75S74-Q78 VanDerWaalsContact O-CA 3.29Å; S74-Q78 WeakPolarHBondContact O-CA 3.31Å; S74-Q78 PolarHBondContact O-N 3.37Å; H75-Q78 PolarHBondContact O-NE2 3.15Å
79V95.1Very high93.1Very high2 Ų238.4 Ų38.41%0.01219%0.191CC..EExtended strand (participates in β ladder)trans-143.7155.4-177.7-63.80000111.3S74 Y77 P138 T141 A142 Y162S74-V79 PolarHBondContact N-O 3.47Å; S74-V79 PolarHBondContact O-N 3.09Å; Y77-V79 VanDerWaalsContact C-N 3.28Å; Y77-V79 PolarHBondContact O-N 3.23Å; V79-P138 HydrophobicContact CG2-CB 3.59Å; V79-T141 HydrophobicContact CB-CG2 3.78Å; V79-T141 HydrophobicContact CG1-CG2 3.95Å; V79-T141 HydrophobicContact CG2-CG2 4.05Å; V79-A142 HydrophobicContact CG1-CB 3.92Å; V79-Y162 WeakPolarHBondContact CG1-OH 3.33Å
80P95.6Very high92.4Very high3 Ų342.9 Ų42.92%0.01922%0.222CC..EExtended strand (participates in β ladder)trans-62.8150.5164.327.5-35.4000112Y3 I71 V72 Y162 M163 W166Y3-P80 HydrophobicContact CE2-CB 4.21Å; I71-P80 HydrophobicContact CG2-CB 4.09Å; V72-P80 CarbonylContact O-C 3.49Å; V72-P80 WeakPolarHBondContact O-CA 3.34Å; P80-Y162 HydrophobicContact CG-CD1 4.46Å; P80-Y162 HydrophobicContact CG-CE1 3.88Å; P80-M163 HydrophobicContact CB-CE 4.44Å; P80-M163 HydrophobicContact CB-SD 3.77Å; P80-M163 HydrophobicContact CG-SD 3.73Å; P80-W166 HydrophobicContact CB-CD2 3.97Å; P80-W166 HydrophobicContact CB-CE3 4.11Å; P80-W166 HydrophobicContact CB-CH2 4.13Å; P80-W166 HydrophobicContact CB-CZ2 3.97Å; P80-W166 HydrophobicContact CB-CZ3 4.19Å; P80-W166 HydrophobicContact CG-CB 4.4Å; P80-W166 HydrophobicContact CG-CD2 3.52Å; P80-W166 HydrophobicContact CG-CE3 4.06Å; P80-W166 HydrophobicContact CG-CG 3.63Å; P80-W166 HydrophobicContact CG-CZ2 4.22Å
81V96.1Very high91.6Very high7 Ų744.5 Ų44.54%0.04224%0.239CC..EExtended strand (participates in β ladder)trans-129.4136-179.3-172.70000108.3I71 V72 L83 E135 P138I71-V81 WeakPolarHBondContact CA-O 3.37Å; V72-V81 PolarHBondContact N-O 3.11Å; V72-V81 PolarHBondContact O-N 2.92Å; V81-L83 HydrophobicContact CG1-CD2 4.18Å; V81-E135 HydrophobicContact CG1-CG 3.61Å; V81-P138 HydrophobicContact CG2-CB 3.98Å; V81-P138 HydrophobicContact CG2-CG 4.07Å
82L96.4Very high91Very high0 Ų052.3 Ų52.30%027%0.269CS..EExtended strand (participates in β ladder)trans-94.8119.2175.6-177.965.6000109.5Y69 M84 F136 W166 A171 F174 L176Y69-L82 HydrophobicContact CD1-CD1 4.26Å; L82-M84 HydrophobicContact CD1-CG 4.32Å; L82-M84 HydrophobicContact CD2-CE 4.24Å; L82-M84 HydrophobicContact CD2-CG 4.11Å; L82-M84 HydrophobicContact CD2-SD 3.77Å; L82-M84 HydrophobicContact CG-CG 3.87Å; L82-M84 HydrophobicContact CG-SD 4.2Å; L82-F136 HydrophobicContact CB-CB 4.15Å; L82-F136 PolarHBondContact O-N 2.8Å; L82-W166 HydrophobicContact CB-CH2 3.79Å; L82-W166 HydrophobicContact CB-CZ2 4.12Å; L82-A171 HydrophobicContact CD1-CB 4.24Å; L82-A171 HydrophobicContact CD2-CB 4.05Å; L82-F174 HydrophobicContact CD2-CB 4.21Å; L82-F174 HydrophobicContact CD2-CD2 3.77Å; L82-F174 HydrophobicContact CD2-CG 4.29Å; L82-L176 HydrophobicContact CD1-CD2 4.08Å
83L96.6Very high90.3Very high3 Ų353.9 Ų53.92%0.01628%0.28CS..EExtended strand (participates in β ladder)trans-106140.6166-52.9-173.6000109.8Y69 R70 V72 V81 I124 F133 Y134 E135Y69-L83 CarbonylContact C-O 3.49Å; Y69-L83 WeakPolarHBondContact CA-O 3.33Å; R70-L83 HydrophobicContact CB-CB 4.2Å; R70-L83 PolarHBondContact N-O 2.93Å; R70-L83 PolarHBondContact O-N 2.73Å; V72-L83 HydrophobicContact CG2-CD1 3.67Å; V72-L83 HydrophobicContact CG2-CG 3.98Å; V81-L83 HydrophobicContact CG1-CD2 4.18Å; L83-I124 HydrophobicContact CD2-CD1 3.82Å; L83-I124 HydrophobicContact CD2-CG1 4.48Å; L83-F133 HydrophobicContact CB-CB 4.2Å; L83-F133 HydrophobicContact CB-CD1 3.75Å; L83-F133 HydrophobicContact CB-CG 4.26Å; L83-Y134 CarbonylContact C-O 3.03Å; L83-Y134 VanDerWaalsContact CA-O 3.3Å; L83-Y134 WeakPolarHBondContact CA-O 3.4Å; L83-E135 HydrophobicContact CD2-CB 3.61Å; L83-E135 HydrophobicContact CD2-CG 3.69Å
84M94.3Very high89.4Confident1 Ų152.9 Ų52.91%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-135.7140.4-177.6-57.7175.5-75.200111.2E68 Y69 L82 F86 L121 Y134 F174E68-M84 CarbonylContact O-C 3.5Å; E68-M84 WeakPolarHBondContact O-CA 3.41Å; Y69-M84 HydrophobicContact CD1-CG 3.69Å; Y69-M84 HydrophobicContact CD1-SD 4.16Å; Y69-M84 HydrophobicContact CE1-CG 3.98Å; Y69-M84 HydrophobicContact CE1-SD 3.93Å; L82-M84 HydrophobicContact CD1-CG 4.32Å; L82-M84 HydrophobicContact CD2-CE 4.24Å; L82-M84 HydrophobicContact CD2-CG 4.11Å; L82-M84 HydrophobicContact CD2-SD 3.77Å; L82-M84 HydrophobicContact CG-CG 3.87Å; L82-M84 HydrophobicContact CG-SD 4.2Å; M84-F86 HydrophobicContact CB-CE2 4.12Å; M84-F86 HydrophobicContact CB-CZ 4.31Å; M84-L121 HydrophobicContact CE-CD1 4.27Å; M84-L121 HydrophobicContact CE-CD2 3.51Å; M84-Y134 PolarHBondContact N-O 3.49Å; M84-Y134 PolarHBondContact O-N 3.33Å; M84-F174 HydrophobicContact CE-CB 4.28Å; M84-F174 HydrophobicContact CE-CD1 3.89Å; M84-F174 HydrophobicContact CE-CD2 4.34Å; M84-F174 HydrophobicContact CE-CE1 4.33Å; M84-F174 HydrophobicContact CE-CG 3.91Å; M84-F174 HydrophobicContact SD-CB 3.41Å; M84-F174 WeakPolarHBondContact SD-CB 3.49Å; M84-F174 HydrophobicContact SD-CD1 4.09Å; M84-F174 HydrophobicContact SD-CD2 4.39Å; M84-F174 HydrophobicContact SD-CG 3.72Å
85R92.9Very high88.3Confident35 Ų3557.9 Ų57.913%0.13230%0.297CS..EExtended strand (participates in β ladder)trans-141.6142.7174.7-174.4179.3-177.6-145.910.8109.5E68 Q87 I131 F133E68-R85 HydrophobicContact CB-CB 4.47Å; E68-R85 PolarHBondContact N-O 3.17Å; E68-R85 PolarHBondContact O-N 3.31Å; R85-Q87 HydrophobicContact CG-CG 4.09Å; R85-Q87 VanDerWaalsContact NH1-NE2 3.13Å; R85-Q87 VanDerWaalsContact NH1-OE1 3.1Å; R85-I131 VanDerWaalsContact NH1-CD1 3.28Å; R85-F133 HydrophobicContact CB-CD1 3.61Å; R85-F133 HydrophobicContact CB-CD2 4.48Å; R85-F133 HydrophobicContact CB-CE1 3.49Å; R85-F133 VanDerWaalsContact CB-CE1 3.49Å; R85-F133 HydrophobicContact CB-CE2 4.41Å; R85-F133 HydrophobicContact CB-CG 4.12Å; R85-F133 HydrophobicContact CB-CZ 3.92Å
86F91.1Very high87.2Confident6 Ų657.7 Ų57.73%0.02630%0.296CS..EExtended strand (participates in β ladder)trans-131.1127.8179.5-53.8-82.3000109.5I65 L66 A67 M84 L94 L99 F104 V108I65-F86 HydrophobicContact CG2-CB 3.85Å; I65-F86 HydrophobicContact CG2-CD1 4.43Å; L66-F86 WeakPolarHBondContact O-CA 3.12Å; A67-F86 HydrophobicContact CB-CD1 3.59Å; A67-F86 HydrophobicContact CB-CE1 3.65Å; M84-F86 HydrophobicContact CB-CE2 4.12Å; M84-F86 HydrophobicContact CB-CZ 4.31Å; F86-L94 HydrophobicContact CB-CD1 3.95Å; F86-L94 HydrophobicContact CB-CG 4.49Å; F86-L94 PolarHBondContact O-N 3.37Å; F86-L99 HydrophobicContact CB-CD2 3.69Å; F86-L99 HydrophobicContact CD2-CD1 4.25Å; F86-L99 HydrophobicContact CD2-CD2 3.41Å; F86-L99 VanDerWaalsContact CD2-CD2 3.41Å; F86-L99 HydrophobicContact CD2-CG 4.47Å; F86-L99 HydrophobicContact CE2-CD2 4.25Å; F86-L99 HydrophobicContact CG-CD2 3.74Å; F86-F104 HydrophobicContact CB-CE2 4.32Å; F86-F104 HydrophobicContact CB-CZ 4.32Å; F86-F104 HydrophobicContact CD1-CE2 4.11Å; F86-F104 AromaticContact CD1-CZ 3.54Å; F86-F104 HydrophobicContact CD1-CZ 3.54Å; F86-F104 AromaticContact CD2-CZ 3.84Å; F86-F104 HydrophobicContact CD2-CZ 3.84Å; F86-F104 HydrophobicContact CE1-CE1 4.42Å; F86-F104 AromaticContact CE1-CZ 3.66Å; F86-F104 HydrophobicContact CE1-CZ 3.66Å; F86-F104 HydrophobicContact CE2-CE1 4.4Å; F86-F104 AromaticContact CE2-CZ 3.95Å; F86-F104 HydrophobicContact CE2-CZ 3.95Å; F86-F104 HydrophobicContact CG-CE2 4.1Å; F86-F104 AromaticContact CG-CZ 3.63Å; F86-F104 HydrophobicContact CG-CZ 3.63Å; F86-F104 HydrophobicContact CZ-CE1 4.29Å; F86-F104 AromaticContact CZ-CZ 3.86Å; F86-F104 HydrophobicContact CZ-CZ 3.86Å; F86-V108 HydrophobicContact CE1-CG1 3.99Å; F86-V108 HydrophobicContact CZ-CG1 4.37Å
87Q89.2Confident86Confident23 Ų2358.8 Ų58.811%0.10729%0.293CS..EExtended strand (participates in β ladder)trans-131.9147.2-173-58.7179.2-88.800111.4I65 L66 R85 G91 R92I65-Q87 CarbonylContact C-O 3.4Å; I65-Q87 VanDerWaalsContact CA-O 3.29Å; I65-Q87 WeakPolarHBondContact CA-O 3.41Å; L66-Q87 PolarHBondContact N-O 2.81Å; L66-Q87 PolarHBondContact O-N 3.07Å; R85-Q87 HydrophobicContact CG-CG 4.09Å; R85-Q87 VanDerWaalsContact NH1-NE2 3.13Å; R85-Q87 VanDerWaalsContact NH1-OE1 3.1Å; Q87-G91 PolarHBondContact NE2-O 3.31Å; Q87-R92 CarbonylContact C-O 3.54Å; Q87-R92 VanDerWaalsContact CA-O 3.24Å; Q87-R92 WeakPolarHBondContact CA-O 3.4Å
88T85.4Confident84.7Confident31 Ų3159.9 Ų59.919%0.1930%0.3CS..EExtended strand (participates in β ladder)trans-69.9166.6166.361.10000110.6I65 S90 G91 R92 L94I65-T88 HydrophobicContact CD1-CG2 4.08Å; T88-S90 PolarHBondContact O-N 3.28Å; T88-S90 PolarHBondContact OG1-N 3.41Å; T88-S90 PolarHBondContact OG1-OG 3.4Å; T88-G91 WeakPolarHBondContact O-CA 3.31Å; T88-G91 PolarHBondContact O-N 3Å; T88-R92 PolarHBondContact N-O 3.39Å; T88-R92 WeakPolarHBondContact OG1-CB 3.43Å; T88-R92 PolarHBondContact OG1-N 3.45Å; T88-R92 PolarHBondContact OG1-O 2.99Å; T88-L94 HydrophobicContact CG2-CD2 4.03Å
89K79.7Confident83.5Confident160 Ų16053.9 Ų53.970%0.69627%0.272SS*.THydrogen-bonded Turntrans-52.6-27.8169.4-66-164.2-176.6-1640114.4E64 G91E64-K89 HydrophobicContact CB-CD 4.43Å; E64-K89 HydrophobicContact CB-CG 4.24Å; E64-K89 VanDerWaalsContact CD-CE 3.4Å; E64-K89 WeakPolarHBondContact OE2-CE 3.46Å; E64-K89 IonicContact OE2-NZ 3.59Å; E64-K89 PolarHBondContact OE2-NZ 3.41Å; K89-G91 PolarHBondContact O-N 2.83Å
90S81Confident82.2Confident94 Ų9455.7 Ų55.766%0.65728%0.279SS*.THydrogen-bonded Turntrans-79.83.7175.654.10000113.9T88 R92T88-S90 PolarHBondContact O-N 3.28Å; T88-S90 PolarHBondContact OG1-N 3.41Å; T88-S90 PolarHBondContact OG1-OG 3.4Å; S90-R92 PolarHBondContact O-N 2.84Å
91G80Confident81.1Confident36 Ų3657.5 Ų57.537%0.37129%0.291SS..  trans78.40.5-179.700000114.5Q87 T88 K89 S93Q87-G91 PolarHBondContact NE2-O 3.31Å; T88-G91 WeakPolarHBondContact O-CA 3.31Å; T88-G91 PolarHBondContact O-N 3Å; K89-G91 PolarHBondContact O-N 2.83Å; G91-S93 PolarHBondContact O-N 2.98Å
92R81.8Confident79.8Confident164 Ų16463.6 Ų63.662%0.61932%0.319SS*.PPolyproline II helixtrans-70.1129.8178.6-62.3-173.870.7-143.2-1109.4Q87 T88 S90Q87-R92 CarbonylContact C-O 3.54Å; Q87-R92 VanDerWaalsContact CA-O 3.24Å; Q87-R92 WeakPolarHBondContact CA-O 3.4Å; T88-R92 PolarHBondContact N-O 3.39Å; T88-R92 WeakPolarHBondContact OG1-CB 3.43Å; T88-R92 PolarHBondContact OG1-N 3.45Å; T88-R92 PolarHBondContact OG1-O 2.99Å; S90-R92 PolarHBondContact O-N 2.84Å
93S80.4Confident78.5Confident51 Ų5165.8 Ų65.836%0.35733%0.331SS..BIsolated β-bridgetrans-68.1137.5172.9-590000109.5G91 H95G91-S93 PolarHBondContact O-N 2.98Å; S93-H95 PolarHBondContact O-N 2.94Å
94L76.1Confident77.4Confident19 Ų1965.8 Ų65.810%0.09933%0.331CS..PPolyproline II helixtrans-70.6129.4174.4-69.6177.3000109.5I65 F86 T88 K98 L99 F104I65-L94 HydrophobicContact CD1-CD1 3.73Å; I65-L94 HydrophobicContact CD1-CD2 3.92Å; I65-L94 HydrophobicContact CD1-CG 4.11Å; I65-L94 HydrophobicContact CG1-CD1 3.95Å; I65-L94 HydrophobicContact CG2-CD1 3.82Å; F86-L94 HydrophobicContact CB-CD1 3.95Å; F86-L94 HydrophobicContact CB-CG 4.49Å; F86-L94 PolarHBondContact O-N 3.37Å; T88-L94 HydrophobicContact CG2-CD2 4.03Å; L94-K98 HydrophobicContact CD2-CD 4.36Å; L94-L99 HydrophobicContact CB-CD1 4.39Å; L94-L99 HydrophobicContact CB-CD2 3.64Å; L94-L99 HydrophobicContact CB-CG 3.82Å; L94-L99 HydrophobicContact CD1-CD2 3.66Å; L94-L99 HydrophobicContact CG-CD2 4.32Å; L94-F104 HydrophobicContact CD1-CD2 4.1Å; L94-F104 HydrophobicContact CD1-CE2 3.78Å
95H70Confident76.5Confident130 Ų13068.3 Ų68.360%0.60234%0.34SS*.PPolyproline II helixtrans-64.2147.2172.6-73.6-84.4000110.7S93 D97 K98 L99S93-H95 PolarHBondContact O-N 2.94Å; H95-D97 PolarHBondContact O-N 2.82Å; H95-D97 VanDerWaalsContact O-N 3.09Å; H95-K98 PolarHBondContact O-N 2.81Å; H95-L99 PolarHBondContact O-N 3.46Å
96H68.1Low75.6Confident101 Ų10169.6 Ų69.647%0.46836%0.355SS..Hα-helixtrans-42.6-45.2179.2-176.2-85.3000113.3K98 L99 W100H96-K98 VanDerWaalsContact C-N 3.26Å; H96-K98 PolarHBondContact O-N 3.28Å; H96-L99 PolarHBondContact O-N 3Å; H96-W100 AromaticContact CD2-CD1 3.72Å; H96-W100 AromaticContact CD2-NE1 3.17Å; H96-W100 PolarHBondContact CD2-NE1 2.73Å; H96-W100 AromaticContact CE1-CD1 3.19Å; H96-W100 AromaticContact CE1-NE1 3.31Å; H96-W100 PolarHBondContact CE1-NE1 2.88Å; H96-W100 VanDerWaalsContact CE1-NE1 3.31Å; H96-W100 AromaticContact CG-CD1 3.69Å; H96-W100 AromaticContact CG-NE1 3.61Å; H96-W100 AromaticContact ND1-CD1 3.39Å; H96-W100 AromaticContact ND1-NE1 3.7Å; H96-W100 AromaticContact NE2-CD1 3.39Å; H96-W100 AromaticContact NE2-NE1 2.93Å; H96-W100 PolarHBondContact NE2-NE1 3.47Å; H96-W100 PolarHBondContact O-N 2.79Å
97D67.1Low75Confident138 Ų13870.9 Ų70.974%0.73837%0.365SS*.Hα-helixtrans-60.8-32.8-178.9-59-19.9000113.6H95H95-D97 PolarHBondContact O-N 2.82Å; H95-D97 VanDerWaalsContact O-N 3.09Å
98K68.5Low74.3Confident126 Ų12669.9 Ų69.955%0.54836%0.36SS..Hα-helixtrans-79.6-37.7177.4-70.1-168.1174.5-165.80112L94 H95 H96 W100 S101 F104L94-K98 HydrophobicContact CD2-CD 4.36Å; H95-K98 PolarHBondContact O-N 2.81Å; H96-K98 VanDerWaalsContact C-N 3.26Å; H96-K98 PolarHBondContact O-N 3.28Å; K98-W100 PolarHBondContact O-N 2.86Å; K98-S101 WeakPolarHBondContact O-CB 3.24Å; K98-S101 PolarHBondContact O-N 3.06Å; K98-S101 VanDerWaalsContact O-N 3.17Å; K98-S101 PolarHBondContact O-OG 3.26Å; K98-F104 WeakPolarHBondContact O-CB 3.37Å
99L68.9Low73.9Confident2 Ų268.9 Ų68.91%0.0135%0.353CS..Hα-helixtrans-63.3-31.2-179.9-69.7174.6000113.1F86 L94 H95 H96 F104 Y134F86-L99 HydrophobicContact CB-CD2 3.69Å; F86-L99 HydrophobicContact CD2-CD1 4.25Å; F86-L99 HydrophobicContact CD2-CD2 3.41Å; F86-L99 VanDerWaalsContact CD2-CD2 3.41Å; F86-L99 HydrophobicContact CD2-CG 4.47Å; F86-L99 HydrophobicContact CE2-CD2 4.25Å; F86-L99 HydrophobicContact CG-CD2 3.74Å; L94-L99 HydrophobicContact CB-CD1 4.39Å; L94-L99 HydrophobicContact CB-CD2 3.64Å; L94-L99 HydrophobicContact CB-CG 3.82Å; L94-L99 HydrophobicContact CD1-CD2 3.66Å; L94-L99 HydrophobicContact CG-CD2 4.32Å; H95-L99 PolarHBondContact O-N 3.46Å; H96-L99 PolarHBondContact O-N 3Å; L99-F104 HydrophobicContact CD2-CD2 4.11Å; L99-F104 HydrophobicContact CD2-CE1 4.05Å; L99-F104 HydrophobicContact CD2-CE2 3.51Å; L99-F104 HydrophobicContact CD2-CZ 3.47Å; L99-F104 VanDerWaalsContact CD2-CZ 3.47Å; L99-F104 WeakPolarHBondContact O-CD1 3.43Å; L99-F104 VanDerWaalsContact O-CG 3.3Å; L99-F104 WeakPolarHBondContact O-CG 3.37Å; L99-Y134 HydrophobicContact CD1-CD2 3.99Å; L99-Y134 HydrophobicContact CD1-CE1 4.41Å; L99-Y134 HydrophobicContact CD1-CE2 3.08Å; L99-Y134 VanDerWaalsContact CD1-OH 3.24Å; L99-Y134 WeakPolarHBondContact CD1-OH 3.14Å
100W68Low73.3Confident40 Ų4065.4 Ų65.415%0.15235%0.347CS..THydrogen-bonded Turntrans-99.57.2178.1-51.2118.4000113.8H96 K98 F109 L118 L121H96-W100 AromaticContact CD2-CD1 3.72Å; H96-W100 AromaticContact CD2-NE1 3.17Å; H96-W100 PolarHBondContact CD2-NE1 2.73Å; H96-W100 AromaticContact CE1-CD1 3.19Å; H96-W100 AromaticContact CE1-NE1 3.31Å; H96-W100 PolarHBondContact CE1-NE1 2.88Å; H96-W100 VanDerWaalsContact CE1-NE1 3.31Å; H96-W100 AromaticContact CG-CD1 3.69Å; H96-W100 AromaticContact CG-NE1 3.61Å; H96-W100 AromaticContact ND1-CD1 3.39Å; H96-W100 AromaticContact ND1-NE1 3.7Å; H96-W100 AromaticContact NE2-CD1 3.39Å; H96-W100 AromaticContact NE2-NE1 2.93Å; H96-W100 PolarHBondContact NE2-NE1 3.47Å; H96-W100 PolarHBondContact O-N 2.79Å; K98-W100 PolarHBondContact O-N 2.86Å; W100-F109 HydrophobicContact CE3-CE2 4.45Å; W100-F109 AromaticContact CZ3-CE2 3.91Å; W100-F109 HydrophobicContact CZ3-CE2 3.91Å; W100-F109 HydrophobicContact CZ3-CZ 4.12Å; W100-L118 HydrophobicContact CB-CD1 4.48Å; W100-L118 HydrophobicContact CD2-CD1 3.82Å; W100-L118 HydrophobicContact CD2-CD2 3.92Å; W100-L118 HydrophobicContact CD2-CG 4.47Å; W100-L118 HydrophobicContact CE3-CD1 3.81Å; W100-L118 HydrophobicContact CE3-CD2 3.33Å; W100-L118 HydrophobicContact CE3-CG 4.2Å; W100-L118 HydrophobicContact CG-CD1 4.12Å; W100-L118 HydrophobicContact CH2-CD2 3.5Å; W100-L118 HydrophobicContact CZ2-CD2 4.01Å; W100-L118 HydrophobicContact CZ3-CD1 4.47Å; W100-L118 HydrophobicContact CZ3-CD2 3.11Å; W100-L118 HydrophobicContact CZ3-CG 4.37Å; W100-L121 HydrophobicContact CH2-CD1 3.11Å; W100-L121 HydrophobicContact CZ2-CD1 3.41Å; W100-L121 VanDerWaalsContact CZ2-CD1 3.41Å; W100-L121 HydrophobicContact CZ3-CD1 4.2Å
101S70.8Confident72.4Confident40 Ų4067.3 Ų67.328%0.2835%0.349SS..SBendtrans-63.1148.9171.871.70000110.9K98 N103 F104 R105K98-S101 WeakPolarHBondContact O-CB 3.24Å; K98-S101 PolarHBondContact O-N 3.06Å; K98-S101 VanDerWaalsContact O-N 3.17Å; K98-S101 PolarHBondContact O-OG 3.26Å; S101-N103 PolarHBondContact O-N 2.87Å; S101-F104 PolarHBondContact O-N 3.47Å; S101-F104 VanDerWaalsContact O-N 3.07Å; S101-F104 PolarHBondContact OG-N 3.35Å; S101-R105 WeakPolarHBondContact O-CG 3.46Å; S101-R105 PolarHBondContact O-N 2.92Å
102E69Low71.7Confident136 Ų13667 Ų6764%0.63634%0.342SS*.Hα-helixtrans-57.1-34.9-179.6-169.156.8-145.200112.5R105 S106E102-R105 PolarHBondContact O-N 2.85Å; E102-S106 WeakPolarHBondContact O-CB 3.3Å; E102-S106 PolarHBondContact O-N 3.46Å; E102-S106 PolarHBondContact O-OG 3.44Å
103N68.9Low70.7Confident46 Ų4668.5 Ų68.525%0.24636%0.356CS..Hα-helixtrans-67.2-41.5178.1-48.5-44.6000112S49 S101 S106 S107S49-N103 VanDerWaalsContact CA-OD1 3.29Å; S49-N103 WeakPolarHBondContact CA-OD1 3.31Å; S49-N103 VanDerWaalsContact CB-ND2 3.29Å; S49-N103 WeakPolarHBondContact CB-ND2 3.44Å; S49-N103 WeakPolarHBondContact CB-OD1 3.32Å; S49-N103 PolarHBondContact OG-ND2 3.29Å; S101-N103 PolarHBondContact O-N 2.87Å; N103-S106 WeakPolarHBondContact CA-OG 3.33Å; N103-S106 PolarHBondContact O-OG 2.85Å; N103-S106 VanDerWaalsContact O-OG 3.07Å; N103-S107 VanDerWaalsContact O-CB 3.3Å; N103-S107 WeakPolarHBondContact O-CB 3.16Å; N103-S107 PolarHBondContact O-N 3.03Å; N103-S107 VanDerWaalsContact O-N 3.07Å; N103-S107 PolarHBondContact O-OG 3.43Å
104F74.4Confident69.8Low3 Ų371 Ų711%0.01337%0.368CS..Hα-helixtrans-65.8-47.2175.7-175-82.2000109.5L46 I65 F86 L94 K98 L99 S101 S106 S107 V108 F109L46-F104 HydrophobicContact CD2-CB 4.49Å; L46-F104 HydrophobicContact CD2-CD2 3.91Å; I65-F104 HydrophobicContact CG2-CE2 4.44Å; F86-F104 HydrophobicContact CB-CE2 4.32Å; F86-F104 HydrophobicContact CB-CZ 4.32Å; F86-F104 HydrophobicContact CD1-CE2 4.11Å; F86-F104 AromaticContact CD1-CZ 3.54Å; F86-F104 HydrophobicContact CD1-CZ 3.54Å; F86-F104 AromaticContact CD2-CZ 3.84Å; F86-F104 HydrophobicContact CD2-CZ 3.84Å; F86-F104 HydrophobicContact CE1-CE1 4.42Å; F86-F104 AromaticContact CE1-CZ 3.66Å; F86-F104 HydrophobicContact CE1-CZ 3.66Å; F86-F104 HydrophobicContact CE2-CE1 4.4Å; F86-F104 AromaticContact CE2-CZ 3.95Å; F86-F104 HydrophobicContact CE2-CZ 3.95Å; F86-F104 HydrophobicContact CG-CE2 4.1Å; F86-F104 AromaticContact CG-CZ 3.63Å; F86-F104 HydrophobicContact CG-CZ 3.63Å; F86-F104 HydrophobicContact CZ-CE1 4.29Å; F86-F104 AromaticContact CZ-CZ 3.86Å; F86-F104 HydrophobicContact CZ-CZ 3.86Å; L94-F104 HydrophobicContact CD1-CD2 4.1Å; L94-F104 HydrophobicContact CD1-CE2 3.78Å; K98-F104 WeakPolarHBondContact O-CB 3.37Å; L99-F104 HydrophobicContact CD2-CD2 4.11Å; L99-F104 HydrophobicContact CD2-CE1 4.05Å; L99-F104 HydrophobicContact CD2-CE2 3.51Å; L99-F104 HydrophobicContact CD2-CZ 3.47Å; L99-F104 VanDerWaalsContact CD2-CZ 3.47Å; L99-F104 WeakPolarHBondContact O-CD1 3.43Å; L99-F104 VanDerWaalsContact O-CG 3.3Å; L99-F104 WeakPolarHBondContact O-CG 3.37Å; S101-F104 PolarHBondContact O-N 3.47Å; S101-F104 VanDerWaalsContact O-N 3.07Å; S101-F104 PolarHBondContact OG-N 3.35Å; F104-S106 PolarHBondContact O-N 2.93Å; F104-S107 PolarHBondContact O-N 2.81Å; F104-V108 HydrophobicContact CD1-CB 3.99Å; F104-V108 HydrophobicContact CD1-CG2 3.66Å; F104-V108 HydrophobicContact CD2-CG2 3.81Å; F104-V108 HydrophobicContact CE1-CB 3.69Å; F104-V108 HydrophobicContact CE1-CG1 3.84Å; F104-V108 HydrophobicContact CE1-CG2 3.45Å; F104-V108 VanDerWaalsContact CE1-CG2 3.45Å; F104-V108 HydrophobicContact CE2-CG2 3.58Å; F104-V108 HydrophobicContact CG-CG2 3.86Å; F104-V108 HydrophobicContact CZ-CB 4.04Å; F104-V108 HydrophobicContact CZ-CG1 4.01Å; F104-V108 HydrophobicContact CZ-CG2 3.41Å; F104-V108 VanDerWaalsContact CZ-CG2 3.41Å; F104-V108 VanDerWaalsContact O-CB 3.3Å; F104-V108 WeakPolarHBondContact O-CB 3.3Å; F104-V108 WeakPolarHBondContact O-CG2 3.43Å; F104-V108 PolarHBondContact O-N 2.76Å; F104-F109 AromaticContact CD1-CE2 3.98Å; F104-F109 HydrophobicContact CD1-CE2 3.98Å; F104-F109 HydrophobicContact CD1-CZ 4.35Å; F104-F109 AromaticContact CE1-CE2 3.84Å; F104-F109 HydrophobicContact CE1-CE2 3.84Å; F104-F109 AromaticContact CE1-CZ 3.74Å; F104-F109 HydrophobicContact CE1-CZ 3.74Å
105R74.8Confident69.3Low53 Ų5375.3 Ų75.320%0.240%0.397CS..Hα-helixtrans-59.2-46.2-179.7-67.1178.468.290.12.7112.4S101 E102 S107 F109S101-R105 WeakPolarHBondContact O-CG 3.46Å; S101-R105 PolarHBondContact O-N 2.92Å; E102-R105 PolarHBondContact O-N 2.85Å; R105-S107 VanDerWaalsContact C-N 3.33Å; R105-S107 PolarHBondContact O-N 2.79Å; R105-F109 HydrophobicContact CB-CD2 4.11Å; R105-F109 HydrophobicContact CG-CD2 4.12Å; R105-F109 HydrophobicContact CG-CE2 4.33Å; R105-F109 CarbonylContact O-C 3.6Å; R105-F109 VanDerWaalsContact O-CA 3.31Å; R105-F109 WeakPolarHBondContact O-CA 3.33Å; R105-F109 WeakPolarHBondContact O-CB 3.47Å; R105-F109 PolarHBondContact O-N 3.02Å
106S75.3Confident69.1Low63 Ų6369.6 Ų69.644%0.44137%0.371SS..Hα-helixtrans-66.5-32.6178.153.40000113.1E102 N103 F104 P110E102-S106 WeakPolarHBondContact O-CB 3.3Å; E102-S106 PolarHBondContact O-N 3.46Å; E102-S106 PolarHBondContact O-OG 3.44Å; N103-S106 WeakPolarHBondContact CA-OG 3.33Å; N103-S106 PolarHBondContact O-OG 2.85Å; N103-S106 VanDerWaalsContact O-OG 3.07Å; F104-S106 PolarHBondContact O-N 2.93Å; S106-P110 WeakPolarHBondContact O-CB 3.24Å
107S76.9Confident69.3Low33 Ų3366.7 Ų66.723%0.23136%0.361CS..Hα-helixtrans-82.2-36.2179.5-53.50000113.1G47 N103 F104 R105G47-S107 PolarHBondContact N-OG 2.97Å; N103-S107 VanDerWaalsContact O-CB 3.3Å; N103-S107 WeakPolarHBondContact O-CB 3.16Å; N103-S107 PolarHBondContact O-N 3.03Å; N103-S107 VanDerWaalsContact O-N 3.07Å; N103-S107 PolarHBondContact O-OG 3.43Å; F104-S107 PolarHBondContact O-N 2.81Å; R105-S107 VanDerWaalsContact C-N 3.33Å; R105-S107 PolarHBondContact O-N 2.79Å
108V76.1Confident69.6Low2 Ų262.9 Ų62.91%0.01234%0.341CS..Hα-helixtrans-97.6-34.1-171.5-176.10000112.1I44 F86 F104 P110 G175I44-V108 HydrophobicContact CD1-CB 4.12Å; I44-V108 HydrophobicContact CD1-CG1 3.71Å; I44-V108 HydrophobicContact CD1-CG2 3.59Å; I44-V108 HydrophobicContact CG2-CG2 3.79Å; F86-V108 HydrophobicContact CE1-CG1 3.99Å; F86-V108 HydrophobicContact CZ-CG1 4.37Å; F104-V108 HydrophobicContact CD1-CB 3.99Å; F104-V108 HydrophobicContact CD1-CG2 3.66Å; F104-V108 HydrophobicContact CD2-CG2 3.81Å; F104-V108 HydrophobicContact CE1-CB 3.69Å; F104-V108 HydrophobicContact CE1-CG1 3.84Å; F104-V108 HydrophobicContact CE1-CG2 3.45Å; F104-V108 VanDerWaalsContact CE1-CG2 3.45Å; F104-V108 HydrophobicContact CE2-CG2 3.58Å; F104-V108 HydrophobicContact CG-CG2 3.86Å; F104-V108 HydrophobicContact CZ-CB 4.04Å; F104-V108 HydrophobicContact CZ-CG1 4.01Å; F104-V108 HydrophobicContact CZ-CG2 3.41Å; F104-V108 VanDerWaalsContact CZ-CG2 3.41Å; F104-V108 VanDerWaalsContact O-CB 3.3Å; F104-V108 WeakPolarHBondContact O-CB 3.3Å; F104-V108 WeakPolarHBondContact O-CG2 3.43Å; F104-V108 PolarHBondContact O-N 2.76Å; V108-P110 WeakPolarHBondContact O-CD 3.35Å; V108-G175 WeakPolarHBondContact O-CA 2.78Å
109F76.4Confident70Confident9 Ų965.1 Ų65.14%0.03935%0.353CS..  trans-118.743.4-177.3-40.6-56.9000112.6W100 F104 R105 L111 S112 L116 P173 F174W100-F109 HydrophobicContact CE3-CE2 4.45Å; W100-F109 AromaticContact CZ3-CE2 3.91Å; W100-F109 HydrophobicContact CZ3-CE2 3.91Å; W100-F109 HydrophobicContact CZ3-CZ 4.12Å; F104-F109 AromaticContact CD1-CE2 3.98Å; F104-F109 HydrophobicContact CD1-CE2 3.98Å; F104-F109 HydrophobicContact CD1-CZ 4.35Å; F104-F109 AromaticContact CE1-CE2 3.84Å; F104-F109 HydrophobicContact CE1-CE2 3.84Å; F104-F109 AromaticContact CE1-CZ 3.74Å; F104-F109 HydrophobicContact CE1-CZ 3.74Å; R105-F109 HydrophobicContact CB-CD2 4.11Å; R105-F109 HydrophobicContact CG-CD2 4.12Å; R105-F109 HydrophobicContact CG-CE2 4.33Å; R105-F109 CarbonylContact O-C 3.6Å; R105-F109 VanDerWaalsContact O-CA 3.31Å; R105-F109 WeakPolarHBondContact O-CA 3.33Å; R105-F109 WeakPolarHBondContact O-CB 3.47Å; R105-F109 PolarHBondContact O-N 3.02Å; F109-L111 PolarHBondContact O-N 3.05Å; F109-S112 PolarHBondContact O-N 3.23Å; F109-L116 HydrophobicContact CB-CD1 4.06Å; F109-L116 HydrophobicContact CD1-CD1 4.1Å; F109-L116 HydrophobicContact CD2-CD1 3.16Å; F109-L116 HydrophobicContact CE1-CD1 4.33Å; F109-L116 HydrophobicContact CE2-CD1 3.46Å; F109-L116 VanDerWaalsContact CE2-CD1 3.46Å; F109-L116 HydrophobicContact CG-CD1 3.52Å; F109-L116 HydrophobicContact CZ-CD1 4.03Å; F109-P173 WeakPolarHBondContact CD1-O 3.3Å; F109-F174 VanDerWaalsContact CE1-C 3.44Å; F109-F174 VanDerWaalsContact CE1-CA 3.49Å; F109-F174 HydrophobicContact CE1-CB 4.11Å; F109-F174 HydrophobicContact CE1-CD1 4.32Å; F109-F174 VanDerWaalsContact CE1-O 3.28Å; F109-F174 WeakPolarHBondContact CE1-O 3.41Å
110P66.6Low70.7Confident88 Ų8866 Ų6657%0.57136%0.361SS*.THydrogen-bonded Turntrans-61-26.6-168.824.9-35000114S106 V108S106-P110 WeakPolarHBondContact O-CB 3.24Å; V108-P110 WeakPolarHBondContact O-CD 3.35Å
111L63.3Low71.7Confident133 Ų13365.4 Ų65.470%0.69636%0.36SS*.THydrogen-bonded Turntrans-93.2-2.3-178.4-61.3178.9000113.4F109 E113F109-L111 PolarHBondContact O-N 3.05Å; L111-E113 PolarHBondContact O-N 3.18Å; L111-E113 VanDerWaalsContact O-N 3.13Å
112S63.4Low72.7Confident31 Ų3165.7 Ų65.722%0.21736%0.362CS..  trans-85.885.7-179.7-159.50000110.1F109 V114 L116F109-S112 PolarHBondContact O-N 3.23Å; S112-V114 PolarHBondContact O-N 3.22Å; S112-V114 PolarHBondContact OG-O 3.17Å; S112-V114 VanDerWaalsContact OG-O 3.05Å; S112-L116 WeakPolarHBondContact OG-CD2 3.45Å
113E60.6Low73.8Confident195 Ų19565.1 Ų65.191%0.91136%0.359SS*.  trans-66.2-22.2166.7-65.7-172.2172.700111.7L111L111-E113 PolarHBondContact O-N 3.18Å; L111-E113 VanDerWaalsContact O-N 3.13Å
114V61.8Low75Confident103 Ų10365 Ų6562%0.62436%0.359SS*.SBendtrans-80.7133.6180-177.70000109.4S112 L116S112-V114 PolarHBondContact O-N 3.22Å; S112-V114 PolarHBondContact OG-O 3.17Å; S112-V114 VanDerWaalsContact OG-O 3.05Å; V114-L116 PolarHBondContact O-N 3.35Å
115P65.7Low76Confident109 Ų10971.6 Ų71.671%0.70839%0.389SS*.  trans-54112.5169.6-24.133.3000110
116L67.1Low77Confident10 Ų1069.1 Ų69.15%0.05238%0.38CS..  trans-51.9133.7175.7-66.4173.6000110.2F109 S112 V114 L118 P173 F174F109-L116 HydrophobicContact CB-CD1 4.06Å; F109-L116 HydrophobicContact CD1-CD1 4.1Å; F109-L116 HydrophobicContact CD2-CD1 3.16Å; F109-L116 HydrophobicContact CE1-CD1 4.33Å; F109-L116 HydrophobicContact CE2-CD1 3.46Å; F109-L116 VanDerWaalsContact CE2-CD1 3.46Å; F109-L116 HydrophobicContact CG-CD1 3.52Å; F109-L116 HydrophobicContact CZ-CD1 4.03Å; S112-L116 WeakPolarHBondContact OG-CD2 3.45Å; V114-L116 PolarHBondContact O-N 3.35Å; L116-L118 HydrophobicContact CB-CD2 3.7Å; L116-L118 HydrophobicContact CB-CG 4.33Å; L116-L118 HydrophobicContact CD1-CD2 4.47Å; L116-L118 PolarHBondContact O-N 2.99Å; L116-P173 HydrophobicContact CD2-CB 3.55Å; L116-P173 WeakPolarHBondContact CD2-O 3.43Å; L116-F174 HydrophobicContact CB-CE1 4.38Å; L116-F174 HydrophobicContact CD1-CD1 4.49Å; L116-F174 HydrophobicContact CD2-CD1 4.26Å; L116-F174 HydrophobicContact CD2-CE1 4.21Å
117P72.6Confident77.8Confident40 Ų4070.6 Ų70.626%0.2639%0.388SS..  trans-73.966.717932.8-37.8000110H119 A120 F136 F174P117-H119 PolarHBondContact O-N 3.13Å; P117-H119 VanDerWaalsContact O-N 3.11Å; P117-A120 HydrophobicContact CB-CB 4.29Å; P117-A120 WeakPolarHBondContact O-CB 3.25Å; P117-A120 PolarHBondContact O-N 3.3Å; P117-F136 HydrophobicContact CG-CE2 3.78Å; P117-F174 HydrophobicContact CG-CZ 4.1Å
118L72.4Confident78.5Confident58 Ų5871.7 Ų71.730%0.30439%0.389SS..G310 helixtrans-58.4-28.8-177-58.9-169.3000112.4W100 L116 A120 L121W100-L118 HydrophobicContact CB-CD1 4.48Å; W100-L118 HydrophobicContact CD2-CD1 3.82Å; W100-L118 HydrophobicContact CD2-CD2 3.92Å; W100-L118 HydrophobicContact CD2-CG 4.47Å; W100-L118 HydrophobicContact CE3-CD1 3.81Å; W100-L118 HydrophobicContact CE3-CD2 3.33Å; W100-L118 HydrophobicContact CE3-CG 4.2Å; W100-L118 HydrophobicContact CG-CD1 4.12Å; W100-L118 HydrophobicContact CH2-CD2 3.5Å; W100-L118 HydrophobicContact CZ2-CD2 4.01Å; W100-L118 HydrophobicContact CZ3-CD1 4.47Å; W100-L118 HydrophobicContact CZ3-CD2 3.11Å; W100-L118 HydrophobicContact CZ3-CG 4.37Å; L116-L118 HydrophobicContact CB-CD2 3.7Å; L116-L118 HydrophobicContact CB-CG 4.33Å; L116-L118 HydrophobicContact CD1-CD2 4.47Å; L116-L118 PolarHBondContact O-N 2.99Å; L118-A120 PolarHBondContact O-N 3.34Å; L118-L121 HydrophobicContact CD2-CD1 4.23Å; L118-L121 WeakPolarHBondContact O-CB 3.22Å; L118-L121 PolarHBondContact O-N 3.16Å
119H77.6Confident79.4Confident174 Ų17474.6 Ų74.681%0.80640%0.404SS*.G310 helixtrans-65-18.2175.366-91.8000113.6P117 L121P117-H119 PolarHBondContact O-N 3.13Å; P117-H119 VanDerWaalsContact O-N 3.11Å; H119-L121 VanDerWaalsContact C-N 3.31Å
120A84Confident80.2Confident21 Ų2176.1 Ų76.117%0.17442%0.423CS..G310 helixtrans-88.3-1.6175.100000112.5P117 L118 F136 H137P117-A120 HydrophobicContact CB-CB 4.29Å; P117-A120 WeakPolarHBondContact O-CB 3.25Å; P117-A120 PolarHBondContact O-N 3.3Å; L118-A120 PolarHBondContact O-N 3.34Å; A120-F136 HydrophobicContact CB-CD2 4Å; A120-F136 HydrophobicContact CB-CE2 3.6Å; A120-F136 HydrophobicContact CB-CZ 4.2Å; A120-H137 PolarHBondContact O-N 2.83Å
121L88.9Confident81.5Confident26 Ų2674.3 Ų74.314%0.13641%0.408CS..EExtended strand (participates in β ladder)trans-96136.5176.8-62177.4000111.3M84 W100 L118 H119 E135 F136 F174M84-L121 HydrophobicContact CE-CD1 4.27Å; M84-L121 HydrophobicContact CE-CD2 3.51Å; W100-L121 HydrophobicContact CH2-CD1 3.11Å; W100-L121 HydrophobicContact CZ2-CD1 3.41Å; W100-L121 VanDerWaalsContact CZ2-CD1 3.41Å; W100-L121 HydrophobicContact CZ3-CD1 4.2Å; L118-L121 HydrophobicContact CD2-CD1 4.23Å; L118-L121 WeakPolarHBondContact O-CB 3.22Å; L118-L121 PolarHBondContact O-N 3.16Å; H119-L121 VanDerWaalsContact C-N 3.31Å; L121-E135 VanDerWaalsContact CA-O 3.26Å; L121-E135 WeakPolarHBondContact CA-O 3.34Å; L121-F136 HydrophobicContact CD2-CB 3.95Å; L121-F136 HydrophobicContact CD2-CD2 4.08Å; L121-F174 HydrophobicContact CD1-CD1 4.44Å; L121-F174 HydrophobicContact CD1-CE1 3.71Å; L121-F174 HydrophobicContact CD1-CZ 4.29Å; L121-F174 HydrophobicContact CD2-CE1 4.13Å; L121-F174 HydrophobicContact CD2-CZ 4.01Å; L121-F174 HydrophobicContact CG-CE1 4.2Å; L121-F174 HydrophobicContact CG-CZ 4.29Å
122S91.4Very high82.9Confident47 Ų4770.7 Ų70.733%0.32939%0.392SS..EExtended strand (participates in β ladder)trans-133.4147.4171.464.90000110.5Y134 E135S122-Y134 CarbonylContact O-C 3.57Å; S122-Y134 WeakPolarHBondContact O-CA 3.36Å; S122-E135 PolarHBondContact N-O 2.9Å; S122-E135 PolarHBondContact O-N 3.02Å
123E91.9Very high84.4Confident124 Ų12469.3 Ų69.358%0.57938%0.382SS*.EExtended strand (participates in β ladder)trans-82.9125.6171.6-171.6174.818000108.9P132 F133 Y134E123-P132 HydrophobicContact CG-CB 4.26Å; E123-P132 WeakPolarHBondContact OE1-CB 3.37Å; E123-F133 WeakPolarHBondContact CA-O 3.34Å; E123-Y134 HydrophobicContact CB-CE1 4.39Å
124I94.4Very high86Confident44 Ų4461 Ų6123%0.22634%0.343CS..EExtended strand (participates in β ladder)trans-129.9159.2178.869.4163000110.2L83 P132 F133 E135L83-I124 HydrophobicContact CD2-CD1 3.82Å; L83-I124 HydrophobicContact CD2-CG1 4.48Å; I124-P132 CarbonylContact O-C 3.4Å; I124-P132 WeakPolarHBondContact O-CA 3.35Å; I124-F133 PolarHBondContact N-O 3.48Å; I124-F133 PolarHBondContact O-N 3.16Å; I124-E135 HydrophobicContact CD1-CB 3.84Å; I124-E135 HydrophobicContact CD1-CG 4.3Å; I124-E135 HydrophobicContact CG1-CB 3.98Å; I124-E135 HydrophobicContact CG2-CB 4.19Å
125E95.7Very high87.5Confident140 Ų14057.7 Ų57.765%0.65432%0.321SS*.EExtended strand (participates in β ladder)trans-81.9130.7164.3-171177.3175.600109.5G130E125-G130 WeakPolarHBondContact OE1-CA 3.4Å
126H95.4Very high88.9Confident1 Ų153.9 Ų53.91%0.00529%0.293CS..  trans-64.1128.8177.9-172.8-63.3000111F29 E37 R70 H128 L129 G130 I131 F133F29-H126 AromaticContact CZ-CE1 3.72Å; E37-H126 IonicContact OE1-CE1 3.62Å; E37-H126 PolarHBondContact OE1-CE1 3.09Å; E37-H126 IonicContact OE1-NE2 2.93Å; E37-H126 PolarHBondContact OE1-NE2 3.27Å; E37-H126 IonicContact OE2-CE1 3.93Å; E37-H126 IonicContact OE2-NE2 3.78Å; E37-H126 PolarHBondContact OE2-NE2 3.47Å; R70-H126 WeakPolarHBondContact CD-NE2 3.24Å; H126-H128 VanDerWaalsContact C-N 3.29Å; H126-H128 PolarHBondContact ND1-N 2.71Å; H126-H128 VanDerWaalsContact ND1-N 3.19Å; H126-H128 PolarHBondContact O-N 2.89Å; H126-H128 VanDerWaalsContact O-N 3.11Å; H126-L129 HydrophobicContact CB-CB 3.94Å; H126-L129 PolarHBondContact ND1-N 2.9Å; H126-L129 PolarHBondContact O-N 3.2Å; H126-G130 PolarHBondContact O-N 2.97Å; H126-I131 WeakPolarHBondContact CB-O 3.31Å; H126-I131 PolarHBondContact N-O 3.48Å; H126-F133 HydrophobicContact CB-CD2 3.75Å; H126-F133 HydrophobicContact CB-CE2 4.06Å; H126-F133 AromaticContact CD2-CD2 3.91Å; H126-F133 AromaticContact CD2-CE2 3.78Å
127P91.2Very high90.1Very high94 Ų9456.7 Ų56.761%0.6131%0.305SS*.THydrogen-bonded Turntrans-54-40.1-171.8-28.834.4000115
128H93Very high91.2Very high57 Ų5754.9 Ų54.926%0.26429%0.294SS..THydrogen-bonded Turntrans-102.3-26.2-178.5-57.1-60.8000115.5F29 H126F29-H128 HydrophobicContact CB-CB 4.41Å; F29-H128 HydrophobicContact CD1-CB 3.38Å; F29-H128 HydrophobicContact CD2-CB 3.88Å; F29-H128 AromaticContact CD2-CD2 3.44Å; F29-H128 VanDerWaalsContact CD2-CD2 3.44Å; F29-H128 WeakPolarHBondContact CD2-CD2 3.33Å; F29-H128 AromaticContact CD2-CG 3.67Å; F29-H128 HydrophobicContact CE1-CB 3.44Å; F29-H128 VanDerWaalsContact CE1-CB 3.44Å; F29-H128 HydrophobicContact CE2-CB 3.94Å; F29-H128 AromaticContact CE2-CD2 3.49Å; F29-H128 VanDerWaalsContact CE2-CD2 3.49Å; F29-H128 WeakPolarHBondContact CE2-CD2 3.31Å; F29-H128 AromaticContact CE2-CG 3.93Å; F29-H128 HydrophobicContact CG-CB 3.6Å; F29-H128 AromaticContact CG-CG 3.73Å; F29-H128 HydrophobicContact CZ-CB 3.73Å; H126-H128 VanDerWaalsContact C-N 3.29Å; H126-H128 PolarHBondContact ND1-N 2.71Å; H126-H128 VanDerWaalsContact ND1-N 3.19Å; H126-H128 PolarHBondContact O-N 2.89Å; H126-H128 VanDerWaalsContact O-N 3.11Å
129L93.7Very high92.2Very high62 Ų6255 Ų5533%0.32530%0.299SS..THydrogen-bonded Turntrans-91.7-19.9-177.5-62.1177.8000113.1F29 H126 I131 F133F29-L129 HydrophobicContact CE1-CD2 3.8Å; F29-L129 HydrophobicContact CE1-CG 4.12Å; H126-L129 HydrophobicContact CB-CB 3.94Å; H126-L129 PolarHBondContact ND1-N 2.9Å; H126-L129 PolarHBondContact O-N 3.2Å; L129-I131 HydrophobicContact CB-CD1 4.06Å; L129-I131 HydrophobicContact CB-CG1 3.88Å; L129-I131 HydrophobicContact CD1-CD1 4.19Å; L129-I131 PolarHBondContact O-N 2.73Å; L129-F133 HydrophobicContact CD1-CE2 4.02Å; L129-F133 HydrophobicContact CD1-CZ 4.2Å
130G93.7Very high93Very high41 Ų4153.6 Ų53.642%0.42329%0.29SS..  trans65.125.4179.900000114.2E125 H126E125-G130 WeakPolarHBondContact OE1-CA 3.4Å; H126-G130 PolarHBondContact O-N 2.97Å
131I93.3Very high93.5Very high50 Ų5052.7 Ų52.726%0.25628%0.283SS..SBendtrans-129156.3-178.166.5-170.7000111.3R85 H126 L129 F133R85-I131 VanDerWaalsContact NH1-CD1 3.28Å; H126-I131 WeakPolarHBondContact CB-O 3.31Å; H126-I131 PolarHBondContact N-O 3.48Å; L129-I131 HydrophobicContact CB-CD1 4.06Å; L129-I131 HydrophobicContact CB-CG1 3.88Å; L129-I131 HydrophobicContact CD1-CD1 4.19Å; L129-I131 PolarHBondContact O-N 2.73Å; I131-F133 HydrophobicContact CD1-CE2 4.02Å; I131-F133 HydrophobicContact CG1-CD2 4.15Å; I131-F133 HydrophobicContact CG1-CE2 3.71Å
132P93.6Very high93.8Very high58 Ų5853.1 Ų53.138%0.37729%0.29SS..EExtended strand (participates in β ladder)trans-69.9137.9-175-20.433.4000114.2E123 I124E123-P132 HydrophobicContact CG-CB 4.26Å; E123-P132 WeakPolarHBondContact OE1-CB 3.37Å; I124-P132 CarbonylContact O-C 3.4Å; I124-P132 WeakPolarHBondContact O-CA 3.35Å
133F94.8Very high94Very high1 Ų154.1 Ų54.10%0.00429%0.292CS..EExtended strand (participates in β ladder)trans-137.3155.1171.9-84.8-105.4000110.1E68 R70 L83 R85 E123 I124 H126 L129 I131E68-F133 HydrophobicContact CG-CE1 4.34Å; R70-F133 HydrophobicContact CG-CE1 3.98Å; R70-F133 HydrophobicContact CG-CZ 4.4Å; L83-F133 HydrophobicContact CB-CB 4.2Å; L83-F133 HydrophobicContact CB-CD1 3.75Å; L83-F133 HydrophobicContact CB-CG 4.26Å; R85-F133 HydrophobicContact CB-CD1 3.61Å; R85-F133 HydrophobicContact CB-CD2 4.48Å; R85-F133 HydrophobicContact CB-CE1 3.49Å; R85-F133 VanDerWaalsContact CB-CE1 3.49Å; R85-F133 HydrophobicContact CB-CE2 4.41Å; R85-F133 HydrophobicContact CB-CG 4.12Å; R85-F133 HydrophobicContact CB-CZ 3.92Å; E123-F133 WeakPolarHBondContact CA-O 3.34Å; I124-F133 PolarHBondContact N-O 3.48Å; I124-F133 PolarHBondContact O-N 3.16Å; H126-F133 HydrophobicContact CB-CD2 3.75Å; H126-F133 HydrophobicContact CB-CE2 4.06Å; H126-F133 AromaticContact CD2-CD2 3.91Å; H126-F133 AromaticContact CD2-CE2 3.78Å; L129-F133 HydrophobicContact CD1-CE2 4.02Å; L129-F133 HydrophobicContact CD1-CZ 4.2Å; I131-F133 HydrophobicContact CD1-CE2 4.02Å; I131-F133 HydrophobicContact CG1-CD2 4.15Å; I131-F133 HydrophobicContact CG1-CE2 3.71Å
134Y93Very high94.2Very high20 Ų2051.4 Ų51.48%0.07828%0.281CS..EExtended strand (participates in β ladder)trans-87.5121.9165.3-65.7-82000109.7L83 M84 L99 S122 E123L83-Y134 CarbonylContact C-O 3.03Å; L83-Y134 VanDerWaalsContact CA-O 3.3Å; L83-Y134 WeakPolarHBondContact CA-O 3.4Å; M84-Y134 PolarHBondContact N-O 3.49Å; M84-Y134 PolarHBondContact O-N 3.33Å; L99-Y134 HydrophobicContact CD1-CD2 3.99Å; L99-Y134 HydrophobicContact CD1-CE1 4.41Å; L99-Y134 HydrophobicContact CD1-CE2 3.08Å; L99-Y134 VanDerWaalsContact CD1-OH 3.24Å; L99-Y134 WeakPolarHBondContact CD1-OH 3.14Å; S122-Y134 CarbonylContact O-C 3.57Å; S122-Y134 WeakPolarHBondContact O-CA 3.36Å; E123-Y134 HydrophobicContact CB-CE1 4.39Å
135E94.9Very high94.3Very high35 Ų3549.3 Ų49.316%0.16427%0.27CS..EExtended strand (participates in β ladder)trans-97.8130.7174.8-178.3-173.1-107.600110.6V81 L83 L121 S122 I124 H137V81-E135 HydrophobicContact CG1-CG 3.61Å; L83-E135 HydrophobicContact CD2-CB 3.61Å; L83-E135 HydrophobicContact CD2-CG 3.69Å; L121-E135 VanDerWaalsContact CA-O 3.26Å; L121-E135 WeakPolarHBondContact CA-O 3.34Å; S122-E135 PolarHBondContact N-O 2.9Å; S122-E135 PolarHBondContact O-N 3.02Å; I124-E135 HydrophobicContact CD1-CB 3.84Å; I124-E135 HydrophobicContact CD1-CG 4.3Å; I124-E135 HydrophobicContact CG1-CB 3.98Å; I124-E135 HydrophobicContact CG2-CB 4.19Å; E135-H137 IonicContact OE2-CD2 2.73Å
136F94Very high94.3Very high29 Ų2949 Ų4913%0.12726%0.263CS..EExtended strand (participates in β ladder)trans-81.5109.2159.3-174.8-91.9000110.1L82 P117 A120 L121 I170 F174L82-F136 HydrophobicContact CB-CB 4.15Å; L82-F136 PolarHBondContact O-N 2.8Å; P117-F136 HydrophobicContact CG-CE2 3.78Å; A120-F136 HydrophobicContact CB-CD2 4Å; A120-F136 HydrophobicContact CB-CE2 3.6Å; A120-F136 HydrophobicContact CB-CZ 4.2Å; L121-F136 HydrophobicContact CD2-CB 3.95Å; L121-F136 HydrophobicContact CD2-CD2 4.08Å; F136-I170 HydrophobicContact CD1-CG2 3.64Å; F136-I170 HydrophobicContact CE1-CD1 4.19Å; F136-I170 HydrophobicContact CE1-CG1 4.2Å; F136-I170 HydrophobicContact CE1-CG2 3.84Å; F136-I170 HydrophobicContact CG-CG2 4.15Å; F136-F174 AromaticContact CD2-CE2 3.53Å; F136-F174 HydrophobicContact CD2-CE2 3.53Å; F136-F174 AromaticContact CD2-CZ 3.71Å; F136-F174 HydrophobicContact CD2-CZ 3.71Å; F136-F174 AromaticContact CE2-CE2 3.96Å; F136-F174 HydrophobicContact CE2-CE2 3.96Å; F136-F174 HydrophobicContact CE2-CZ 4.1Å; F136-F174 HydrophobicContact CG-CE2 4.27Å
137H93.5Very high94.4Very high68 Ų6855.6 Ų55.632%0.31529%0.294SS..  trans-63.3129.9-168.1-170.1-92.7000112.4Y77 A120 E135 C139Y77-H137 AromaticContact CZ-CE1 3.97Å; Y77-H137 PolarHBondContact OH-CE1 2.88Å; Y77-H137 VanDerWaalsContact OH-CE1 3.26Å; A120-H137 PolarHBondContact O-N 2.83Å; E135-H137 IonicContact OE2-CD2 2.73Å; H137-C139 VanDerWaalsContact C-N 3.34Å; H137-C139 VanDerWaalsContact CE1-CB 3.48Å; H137-C139 WeakPolarHBondContact CE1-CB 3.32Å; H137-C139 WeakPolarHBondContact ND1-CB 3.36Å; H137-C139 PolarHBondContact ND1-N 3.44Å; H137-C139 PolarHBondContact ND1-SG 3.23Å; H137-C139 PolarHBondContact O-N 3.43Å
138P95Very high94.6Very high3 Ų353.2 Ų53.22%0.01928%0.277CS..G310 helixtrans-79.1-4-167.628.3-36000116.3Y77 V79 V81 K140 T141Y77-P138 HydrophobicContact CD1-CG 4.34Å; Y77-P138 HydrophobicContact CD2-CB 4.25Å; Y77-P138 HydrophobicContact CD2-CG 3.44Å; Y77-P138 VanDerWaalsContact CD2-CG 3.44Å; Y77-P138 HydrophobicContact CE2-CG 3.76Å; Y77-P138 HydrophobicContact CG-CB 4.06Å; Y77-P138 HydrophobicContact CG-CG 3.75Å; V79-P138 HydrophobicContact CG2-CB 3.59Å; V81-P138 HydrophobicContact CG2-CB 3.98Å; V81-P138 HydrophobicContact CG2-CG 4.07Å; P138-K140 PolarHBondContact O-N 3.35Å; P138-T141 VanDerWaalsContact O-CB 3.31Å; P138-T141 WeakPolarHBondContact O-CB 2.81Å; P138-T141 PolarHBondContact O-N 2.84Å; P138-T141 PolarHBondContact O-OG1 2.93Å
139C93.8Very high94.7Very high60 Ų6051.1 Ų51.141%0.40527%0.268SS..G310 helixtrans-60.6-22.5-167.464.80000116Y77 H137Y77-C139 HydrophobicContact CE1-CB 3.75Å; H137-C139 VanDerWaalsContact C-N 3.34Å; H137-C139 VanDerWaalsContact CE1-CB 3.48Å; H137-C139 WeakPolarHBondContact CE1-CB 3.32Å; H137-C139 WeakPolarHBondContact ND1-CB 3.36Å; H137-C139 PolarHBondContact ND1-N 3.44Å; H137-C139 PolarHBondContact ND1-SG 3.23Å; H137-C139 PolarHBondContact O-N 3.43Å
140K93Very high94.8Very high144 Ų14457.3 Ų57.363%0.62629%0.288SS*.G310 helixtrans-103.5-6.2177.1-62.8-56.2-174.8-178.20113.6P138 A142 D143 L144P138-K140 PolarHBondContact O-N 3.35Å; K140-A142 PolarHBondContact O-N 2.91Å; K140-D143 PolarHBondContact O-N 2.77Å; K140-L144 WeakPolarHBondContact O-CB 3.3Å; K140-L144 PolarHBondContact O-N 3.14Å
141T95.3Very high94.8Very high2 Ų260 Ų601%0.01230%0.3CS..Hα-helixtrans-62.6-46.6-175-60.20000111.8V79 P138 D143 L144 M145 W166 I170V79-T141 HydrophobicContact CB-CG2 3.78Å; V79-T141 HydrophobicContact CG1-CG2 3.95Å; V79-T141 HydrophobicContact CG2-CG2 4.05Å; P138-T141 VanDerWaalsContact O-CB 3.31Å; P138-T141 WeakPolarHBondContact O-CB 2.81Å; P138-T141 PolarHBondContact O-N 2.84Å; P138-T141 PolarHBondContact O-OG1 2.93Å; T141-D143 VanDerWaalsContact C-N 3.33Å; T141-D143 PolarHBondContact O-N 2.94Å; T141-L144 PolarHBondContact O-N 3.27Å; T141-M145 HydrophobicContact CG2-CG 4.19Å; T141-M145 WeakPolarHBondContact O-CB 3.45Å; T141-M145 WeakPolarHBondContact O-CG 3.18Å; T141-M145 PolarHBondContact O-N 2.84Å; T141-W166 VanDerWaalsContact CG2-CD1 3.44Å; T141-W166 VanDerWaalsContact CG2-NE1 3.33Å; T141-I170 HydrophobicContact CG2-CD1 3.9Å
142A95.8Very high94.8Very high36 Ų3662.8 Ų62.830%0.29831%0.312SS..Hα-helixtrans-63.1-39.9-177.500000112.6V79 K140 R146V79-A142 HydrophobicContact CG1-CB 3.92Å; K140-A142 PolarHBondContact O-N 2.91Å; A142-R146 PolarHBondContact O-N 3.4Å; A142-R146 VanDerWaalsContact O-N 3.12Å
143D96Very high94.7Very high68 Ų6864.1 Ų64.136%0.36432%0.321SS..Hα-helixtrans-68.7-47.5177.6-67.9-24.5000111.2K140 T141 M145 R146 E147K140-D143 PolarHBondContact O-N 2.77Å; T141-D143 VanDerWaalsContact C-N 3.33Å; T141-D143 PolarHBondContact O-N 2.94Å; D143-M145 VanDerWaalsContact C-N 3.32Å; D143-M145 PolarHBondContact O-N 3Å; D143-R146 WeakPolarHBondContact O-CB 3.37Å; D143-R146 PolarHBondContact O-N 2.96Å; D143-R146 IonicContact OD1-CZ 3.09Å; D143-R146 IonicContact OD1-NH1 3.69Å; D143-R146 PolarHBondContact OD1-NH1 3.11Å; D143-R146 IonicContact OD1-NH2 3.96Å; D143-E147 PolarHBondContact O-N 2.86Å; D143-E147 VanDerWaalsContact O-N 3.12Å
144L95Very high94.5Very high66 Ų6669.5 Ų69.535%0.34635%0.354SS..Hα-helixtrans-55.3-47.8175.6177.565.1000111.4K140 T141 R146 E147 V148 I170K140-L144 WeakPolarHBondContact O-CB 3.3Å; K140-L144 PolarHBondContact O-N 3.14Å; T141-L144 PolarHBondContact O-N 3.27Å; L144-R146 VanDerWaalsContact C-N 3.31Å; L144-R146 PolarHBondContact O-N 3.13Å; L144-E147 WeakPolarHBondContact O-CB 3.35Å; L144-E147 PolarHBondContact O-N 3.43Å; L144-E147 VanDerWaalsContact O-N 3.15Å; L144-V148 VanDerWaalsContact O-CG2 3.27Å; L144-V148 WeakPolarHBondContact O-CG2 3.16Å; L144-V148 PolarHBondContact O-N 3.39Å; L144-I170 HydrophobicContact CD2-CD1 4.03Å; L144-I170 HydrophobicContact CD2-CG1 4.15Å
145M96.5Very high94.4Very high0 Ų070.7 Ų70.70%036%0.36CS..Hα-helixtrans-69-30.9-177.4-65.2-55.8-58.800112.2T141 D143 E147 V148 F149 Y162 M165 W166 L169T141-M145 HydrophobicContact CG2-CG 4.19Å; T141-M145 WeakPolarHBondContact O-CB 3.45Å; T141-M145 WeakPolarHBondContact O-CG 3.18Å; T141-M145 PolarHBondContact O-N 2.84Å; D143-M145 VanDerWaalsContact C-N 3.32Å; D143-M145 PolarHBondContact O-N 3Å; M145-E147 VanDerWaalsContact C-N 3.32Å; M145-E147 PolarHBondContact O-N 3.07Å; M145-V148 PolarHBondContact O-N 2.74Å; M145-F149 HydrophobicContact CE-CD2 4.2Å; M145-F149 HydrophobicContact CE-CE2 3.56Å; M145-F149 HydrophobicContact CE-CZ 4.49Å; M145-F149 VanDerWaalsContact O-CD2 3.28Å; M145-F149 WeakPolarHBondContact O-CD2 3.14Å; M145-F149 PolarHBondContact O-N 2.75Å; M145-F149 VanDerWaalsContact O-N 3.1Å; M145-Y162 HydrophobicContact CB-CD2 4.41Å; M145-Y162 HydrophobicContact CB-CE2 3.52Å; M145-Y162 WeakPolarHBondContact CB-OH 3.28Å; M145-Y162 HydrophobicContact CE-CD1 4.38Å; M145-Y162 HydrophobicContact CE-CD2 4.26Å; M145-Y162 HydrophobicContact CE-CE1 4.35Å; M145-Y162 HydrophobicContact CE-CE2 4.26Å; M145-Y162 HydrophobicContact CE-CG 4.32Å; M145-Y162 HydrophobicContact CG-CE1 4.11Å; M145-Y162 HydrophobicContact CG-CE2 3.9Å; M145-Y162 VanDerWaalsContact CG-OH 3.32Å; M145-Y162 WeakPolarHBondContact CG-OH 3.23Å; M145-M165 HydrophobicContact CE-CB 3.8Å; M145-W166 HydrophobicContact CE-CB 4.07Å; M145-W166 HydrophobicContact SD-CB 4.07Å; M145-L169 HydrophobicContact SD-CD1 4.45Å
146R96.6Very high94.2Very high134 Ų13471.4 Ų71.451%0.50637%0.365SS..Hα-helixtrans-63.9-38.7171.8-167.1-177-541044.5111.9A142 D143 L144 Y150A142-R146 PolarHBondContact O-N 3.4Å; A142-R146 VanDerWaalsContact O-N 3.12Å; D143-R146 WeakPolarHBondContact O-CB 3.37Å; D143-R146 PolarHBondContact O-N 2.96Å; D143-R146 IonicContact OD1-CZ 3.09Å; D143-R146 IonicContact OD1-NH1 3.69Å; D143-R146 PolarHBondContact OD1-NH1 3.11Å; D143-R146 IonicContact OD1-NH2 3.96Å; L144-R146 VanDerWaalsContact C-N 3.31Å; L144-R146 PolarHBondContact O-N 3.13Å; R146-Y150 PolarHBondContact O-N 3Å; R146-Y150 VanDerWaalsContact O-N 3.15Å
147E96.6Very high94Very high140 Ų14076.8 Ų76.865%0.65440%0.395SS*.Hα-helixtrans-67.3-43.8175.3-67.6175.9-173.300111.7D143 L144 M145 F149 Y150D143-E147 PolarHBondContact O-N 2.86Å; D143-E147 VanDerWaalsContact O-N 3.12Å; L144-E147 WeakPolarHBondContact O-CB 3.35Å; L144-E147 PolarHBondContact O-N 3.43Å; L144-E147 VanDerWaalsContact O-N 3.15Å; M145-E147 VanDerWaalsContact C-N 3.32Å; M145-E147 PolarHBondContact O-N 3.07Å; E147-F149 VanDerWaalsContact C-N 3.27Å; E147-F149 PolarHBondContact O-N 2.77Å; E147-Y150 WeakPolarHBondContact O-CB 3.35Å; E147-Y150 PolarHBondContact O-N 2.86Å
148V95Very high93.9Very high43 Ų4376.1 Ų76.126%0.26139%0.394SS..Hα-helixtrans-57.6-40.9177.5171.40000111.6L144 M145 M165 L169L144-V148 VanDerWaalsContact O-CG2 3.27Å; L144-V148 WeakPolarHBondContact O-CG2 3.16Å; L144-V148 PolarHBondContact O-N 3.39Å; M145-V148 PolarHBondContact O-N 2.74Å; V148-M165 HydrophobicContact CG1-CB 4.31Å; V148-M165 HydrophobicContact CG1-CE 3.56Å; V148-M165 HydrophobicContact CG1-CG 4.48Å; V148-L169 HydrophobicContact CB-CD1 4.31Å; V148-L169 HydrophobicContact CG1-CD1 4.05Å; V148-L169 HydrophobicContact CG2-CD1 3.3Å
149F95.8Very high93.8Very high14 Ų1478.1 Ų78.16%0.06141%0.407CS..THydrogen-bonded Turntrans-92.912.9178.7-70.2-71.5000113.9M145 E147 S151 Q152 P153 Q155 L156 K161 Y162 M165M145-F149 HydrophobicContact CE-CD2 4.2Å; M145-F149 HydrophobicContact CE-CE2 3.56Å; M145-F149 HydrophobicContact CE-CZ 4.49Å; M145-F149 VanDerWaalsContact O-CD2 3.28Å; M145-F149 WeakPolarHBondContact O-CD2 3.14Å; M145-F149 PolarHBondContact O-N 2.75Å; M145-F149 VanDerWaalsContact O-N 3.1Å; E147-F149 VanDerWaalsContact C-N 3.27Å; E147-F149 PolarHBondContact O-N 2.77Å; F149-S151 VanDerWaalsContact C-N 3.29Å; F149-S151 PolarHBondContact O-N 2.94Å; F149-Q152 CarbonylContact O-C 3.42Å; F149-Q152 PolarHBondContact O-N 3.19Å; F149-P153 WeakPolarHBondContact O-CA 3.46Å; F149-P153 VanDerWaalsContact O-N 3.11Å; F149-Q155 HydrophobicContact CD1-CB 3.73Å; F149-Q155 HydrophobicContact CE1-CB 3.75Å; F149-L156 HydrophobicContact CB-CB 3.93Å; F149-L156 HydrophobicContact CB-CD1 4.14Å; F149-L156 HydrophobicContact CD2-CB 4.31Å; F149-L156 HydrophobicContact CD2-CD1 3.6Å; F149-L156 HydrophobicContact CE2-CD1 4.41Å; F149-L156 HydrophobicContact CG-CB 4.17Å; F149-L156 HydrophobicContact CG-CD1 4.2Å; F149-K161 HydrophobicContact CZ-CB 4.49Å; F149-Y162 HydrophobicContact CE2-CD2 4.15Å; F149-M165 HydrophobicContact CE1-CG 4.19Å; F149-M165 HydrophobicContact CE2-CB 4.27Å; F149-M165 HydrophobicContact CE2-CG 4.39Å; F149-M165 HydrophobicContact CZ-CB 3.97Å; F149-M165 HydrophobicContact CZ-CG 3.64Å
150Y95.1Very high93.6Very high192 Ų19276.2 Ų76.275%0.75339%0.393SS*.THydrogen-bonded Turntrans-56.6-41-177.2179.1-100.9000113R146 E147 Q152 P153R146-Y150 PolarHBondContact O-N 3Å; R146-Y150 VanDerWaalsContact O-N 3.15Å; E147-Y150 WeakPolarHBondContact O-CB 3.35Å; E147-Y150 PolarHBondContact O-N 2.86Å; Y150-Q152 VanDerWaalsContact C-N 3.34Å; Y150-P153 WeakPolarHBondContact O-CG 3.24Å
151S94.3Very high93.5Very high97 Ų9772.8 Ų72.868%0.67838%0.378SS*.THydrogen-bonded Turntrans-80.3-13.517862.90000113.8F149F149-S151 VanDerWaalsContact C-N 3.29Å; F149-S151 PolarHBondContact O-N 2.94Å
152Q92.9Very high93.5Very high108 Ų10874.3 Ų74.351%0.50538%0.384SS..  trans-137.363.7179.6-60.2-177.942.700111.5F149 Y150 T154 Q155F149-Q152 CarbonylContact O-C 3.42Å; F149-Q152 PolarHBondContact O-N 3.19Å; Y150-Q152 VanDerWaalsContact C-N 3.34Å; Q152-T154 PolarHBondContact O-N 2.85Å; Q152-T154 VanDerWaalsContact O-N 3.09Å; Q152-Q155 HydrophobicContact CB-CB 4.31Å; Q152-Q155 HydrophobicContact CB-CG 3.85Å; Q152-Q155 WeakPolarHBondContact O-CB 3.24Å; Q152-Q155 PolarHBondContact O-N 3.18Å
153P91Very high93.3Very high86 Ų8672.8 Ų72.856%0.55837%0.371SS*.G310 helixtrans-61.2-27.4-170.8-2535.3000114.2F149 Y150 Q155 L156F149-P153 WeakPolarHBondContact O-CA 3.46Å; F149-P153 VanDerWaalsContact O-N 3.11Å; Y150-P153 WeakPolarHBondContact O-CG 3.24Å; P153-Q155 PolarHBondContact O-N 3.4Å; P153-L156 VanDerWaalsContact O-CB 3.31Å; P153-L156 WeakPolarHBondContact O-CB 3.49Å; P153-L156 PolarHBondContact O-N 3.46Å
154T91.1Very high93.1Very high114 Ų11470.2 Ų70.270%0.69936%0.357SS*.G310 helixtrans-65.7-25.8176.754.40000112.8Q152Q152-T154 PolarHBondContact O-N 2.85Å; Q152-T154 VanDerWaalsContact O-N 3.09Å
155Q91.1Very high93Very high46 Ų4670.4 Ų70.422%0.21536%0.357CS..G310 helixtrans-81.2-17.6179-54.1-63.7-12.500112.6F149 Q152 P153 N157 N158 K161F149-Q155 HydrophobicContact CD1-CB 3.73Å; F149-Q155 HydrophobicContact CE1-CB 3.75Å; Q152-Q155 HydrophobicContact CB-CB 4.31Å; Q152-Q155 HydrophobicContact CB-CG 3.85Å; Q152-Q155 WeakPolarHBondContact O-CB 3.24Å; Q152-Q155 PolarHBondContact O-N 3.18Å; P153-Q155 PolarHBondContact O-N 3.4Å; Q155-N157 PolarHBondContact O-N 2.81Å; Q155-N158 WeakPolarHBondContact O-CB 3.33Å; Q155-N158 PolarHBondContact O-N 3.06Å; Q155-K161 HydrophobicContact CB-CD 4.34Å; Q155-K161 VanDerWaalsContact CD-NZ 3.29Å; Q155-K161 HydrophobicContact CG-CD 4.42Å
156L91.1Very high93Very high50 Ų5070.5 Ų70.526%0.26236%0.357SS..THydrogen-bonded Turntrans-57.5-35.4176.6-178.465.3000111.8F149 P153 N158 Y162F149-L156 HydrophobicContact CB-CB 3.93Å; F149-L156 HydrophobicContact CB-CD1 4.14Å; F149-L156 HydrophobicContact CD2-CB 4.31Å; F149-L156 HydrophobicContact CD2-CD1 3.6Å; F149-L156 HydrophobicContact CE2-CD1 4.41Å; F149-L156 HydrophobicContact CG-CB 4.17Å; F149-L156 HydrophobicContact CG-CD1 4.2Å; P153-L156 VanDerWaalsContact O-CB 3.31Å; P153-L156 WeakPolarHBondContact O-CB 3.49Å; P153-L156 PolarHBondContact O-N 3.46Å; L156-N158 VanDerWaalsContact C-N 3.32Å; L156-Y162 HydrophobicContact CD1-CD2 3.95Å; L156-Y162 HydrophobicContact CD1-CE2 3.89Å
157N89.6Confident92.8Very high142 Ų14264.1 Ų64.176%0.75933%0.333SS*.THydrogen-bonded Turntrans-85.3-2.1178.8-65-32.7000113.5Q155 P159Q155-N157 PolarHBondContact O-N 2.81Å; N157-P159 VanDerWaalsContact O-CD 3.29Å; N157-P159 WeakPolarHBondContact O-CD 3.27Å
158N92.2Very high92.5Very high54 Ų5460 Ų6029%0.28932%0.32SS..  trans-83.9108.3173.8-178.7-42.4000108.4Q155 L156 V160 K161 Y162Q155-N158 WeakPolarHBondContact O-CB 3.33Å; Q155-N158 PolarHBondContact O-N 3.06Å; L156-N158 VanDerWaalsContact C-N 3.32Å; N158-V160 VanDerWaalsContact C-N 3.3Å; N158-V160 PolarHBondContact O-N 2.77Å; N158-V160 PolarHBondContact OD1-N 3.46Å; N158-V160 VanDerWaalsContact OD1-N 3.16Å; N158-K161 HydrophobicContact CB-CB 4.12Å; N158-K161 HydrophobicContact CB-CD 4.4Å; N158-K161 HydrophobicContact CB-CG 4.41Å; N158-K161 PolarHBondContact O-N 3.27Å; N158-K161 PolarHBondContact OD1-N 2.96Å; N158-Y162 VanDerWaalsContact O-CB 3.31Å; N158-Y162 WeakPolarHBondContact O-CB 3.44Å; N158-Y162 PolarHBondContact O-N 2.9Å
159P91.1Very high92.3Very high45 Ų4561.5 Ų61.529%0.29233%0.326SS..Hα-helixtrans-69.6-29.2-169.232.2-39.2000112.2A2 A6 N157 M163A2-P159 HydrophobicContact CB-CB 4.38Å; A2-P159 HydrophobicContact CB-CG 4.24Å; A6-P159 HydrophobicContact CB-CB 3.66Å; A6-P159 HydrophobicContact CB-CG 4.01Å; N157-P159 VanDerWaalsContact O-CD 3.29Å; N157-P159 WeakPolarHBondContact O-CD 3.27Å; P159-M163 VanDerWaalsContact O-CB 3.31Å; P159-M163 WeakPolarHBondContact O-CB 3.36Å; P159-M163 WeakPolarHBondContact O-CG 3.35Å; P159-M163 PolarHBondContact O-N 2.87Å
160V91.1Very high92.1Very high19 Ų1961.1 Ų61.112%0.11533%0.325CS..Hα-helixtrans-69.2-49.4176176.90000110.4A6 I9 L10 N158 Y162 M163 I164A6-V160 HydrophobicContact CB-CG2 4.06Å; I9-V160 HydrophobicContact CB-CG2 4.04Å; I9-V160 HydrophobicContact CD1-CG2 3.9Å; I9-V160 HydrophobicContact CG2-CG1 4.29Å; I9-V160 HydrophobicContact CG2-CG2 3.78Å; L10-V160 HydrophobicContact CD2-CG1 3.98Å; L10-V160 HydrophobicContact CG-CG1 4.45Å; N158-V160 VanDerWaalsContact C-N 3.3Å; N158-V160 PolarHBondContact O-N 2.77Å; N158-V160 PolarHBondContact OD1-N 3.46Å; N158-V160 VanDerWaalsContact OD1-N 3.16Å; V160-Y162 VanDerWaalsContact C-N 3.35Å; V160-Y162 PolarHBondContact O-N 2.96Å; V160-M163 PolarHBondContact O-N 2.72Å; V160-I164 HydrophobicContact CG1-CD1 3.95Å; V160-I164 WeakPolarHBondContact O-CG1 3.25Å; V160-I164 PolarHBondContact O-N 2.76Å
161K91.1Very high91.9Very high73 Ų7352 Ų5232%0.31729%0.289SS..Hα-helixtrans-64.5-40.7177.4-72-175.3178.3-175.80112F149 Q155 N158 M163 I164 M165F149-K161 HydrophobicContact CZ-CB 4.49Å; Q155-K161 HydrophobicContact CB-CD 4.34Å; Q155-K161 VanDerWaalsContact CD-NZ 3.29Å; Q155-K161 HydrophobicContact CG-CD 4.42Å; N158-K161 HydrophobicContact CB-CB 4.12Å; N158-K161 HydrophobicContact CB-CD 4.4Å; N158-K161 HydrophobicContact CB-CG 4.41Å; N158-K161 PolarHBondContact O-N 3.27Å; N158-K161 PolarHBondContact OD1-N 2.96Å; K161-M163 VanDerWaalsContact C-N 3.32Å; K161-M163 PolarHBondContact O-N 3.42Å; K161-I164 PolarHBondContact O-N 3.47Å; K161-M165 WeakPolarHBondContact O-CB 3.44Å; K161-M165 WeakPolarHBondContact O-CG 3.36Å; K161-M165 PolarHBondContact O-N 3.06Å
162Y93.9Very high91.6Very high34 Ų3449 Ų4913%0.13327%0.268CS..Hα-helixtrans-54.8-51.1173.8-174-74.8000110.6V79 P80 M145 F149 L156 N158 V160 M165 W166V79-Y162 WeakPolarHBondContact CG1-OH 3.33Å; P80-Y162 HydrophobicContact CG-CD1 4.46Å; P80-Y162 HydrophobicContact CG-CE1 3.88Å; M145-Y162 HydrophobicContact CB-CD2 4.41Å; M145-Y162 HydrophobicContact CB-CE2 3.52Å; M145-Y162 WeakPolarHBondContact CB-OH 3.28Å; M145-Y162 HydrophobicContact CE-CD1 4.38Å; M145-Y162 HydrophobicContact CE-CD2 4.26Å; M145-Y162 HydrophobicContact CE-CE1 4.35Å; M145-Y162 HydrophobicContact CE-CE2 4.26Å; M145-Y162 HydrophobicContact CE-CG 4.32Å; M145-Y162 HydrophobicContact CG-CE1 4.11Å; M145-Y162 HydrophobicContact CG-CE2 3.9Å; M145-Y162 VanDerWaalsContact CG-OH 3.32Å; M145-Y162 WeakPolarHBondContact CG-OH 3.23Å; F149-Y162 HydrophobicContact CE2-CD2 4.15Å; L156-Y162 HydrophobicContact CD1-CD2 3.95Å; L156-Y162 HydrophobicContact CD1-CE2 3.89Å; N158-Y162 VanDerWaalsContact O-CB 3.31Å; N158-Y162 WeakPolarHBondContact O-CB 3.44Å; N158-Y162 PolarHBondContact O-N 2.9Å; V160-Y162 VanDerWaalsContact C-N 3.35Å; V160-Y162 PolarHBondContact O-N 2.96Å; Y162-M165 PolarHBondContact O-N 2.77Å; Y162-W166 HydrophobicContact CD1-CB 4.36Å; Y162-W166 HydrophobicContact CE1-CB 4.29Å; Y162-W166 WeakPolarHBondContact O-CB 3.31Å; Y162-W166 PolarHBondContact O-N 3.48Å
163M92.7Very high91.3Very high3 Ų345.6 Ų45.62%0.01526%0.255CS..Hα-helixtrans-65.2-40.2-179.1-74.4-69-72.700112.9Y3 A6 L10 I71 P80 P159 V160 K161 W166 L167Y3-M163 HydrophobicContact CD2-SD 4.18Å; Y3-M163 HydrophobicContact CE2-CE 3.77Å; Y3-M163 HydrophobicContact CE2-SD 3.62Å; A6-M163 HydrophobicContact CB-CG 4.43Å; L10-M163 HydrophobicContact CD1-CB 3.38Å; L10-M163 HydrophobicContact CD1-CE 4.38Å; L10-M163 HydrophobicContact CD1-CG 4.15Å; I71-M163 HydrophobicContact CG2-CE 3.72Å; P80-M163 HydrophobicContact CB-CE 4.44Å; P80-M163 HydrophobicContact CB-SD 3.77Å; P80-M163 HydrophobicContact CG-SD 3.73Å; P159-M163 VanDerWaalsContact O-CB 3.31Å; P159-M163 WeakPolarHBondContact O-CB 3.36Å; P159-M163 WeakPolarHBondContact O-CG 3.35Å; P159-M163 PolarHBondContact O-N 2.87Å; V160-M163 PolarHBondContact O-N 2.72Å; K161-M163 VanDerWaalsContact C-N 3.32Å; K161-M163 PolarHBondContact O-N 3.42Å; M163-W166 PolarHBondContact O-N 2.96Å; M163-L167 WeakPolarHBondContact O-CB 3.2Å; M163-L167 VanDerWaalsContact O-CG 3.25Å; M163-L167 WeakPolarHBondContact O-CG 3.3Å; M163-L167 PolarHBondContact O-N 3.39Å
164I92Very high91.1Very high14 Ų1441.6 Ų41.67%0.07223%0.229CC..Hα-helixtrans-60.9-48.6175.7-69.9168.5000110.5L10 V160 K161 L167 S168 L178 I183 P184L10-I164 HydrophobicContact CD2-CD1 3.98Å; L10-I164 HydrophobicContact CD2-CG1 3.62Å; V160-I164 HydrophobicContact CG1-CD1 3.95Å; V160-I164 WeakPolarHBondContact O-CG1 3.25Å; V160-I164 PolarHBondContact O-N 2.76Å; K161-I164 PolarHBondContact O-N 3.47Å; I164-L167 PolarHBondContact O-N 2.7Å; I164-S168 WeakPolarHBondContact O-CB 3.4Å; I164-S168 PolarHBondContact O-N 2.81Å; I164-S168 PolarHBondContact O-OG 2.74Å; I164-L178 HydrophobicContact CB-CD1 4.32Å; I164-L178 HydrophobicContact CG1-CD1 4.31Å; I164-L178 HydrophobicContact CG2-CD1 4Å; I164-I183 HydrophobicContact CG2-CG1 4.41Å; I164-P184 VanDerWaalsContact CD1-CD 3.48Å; I164-P184 HydrophobicContact CD1-CG 4.48Å
165M92.8Very high90.9Very high71 Ų7136.2 Ų36.235%0.3520%0.196SC..Hα-helixtrans-64.8-42.3179.1-69-55.9-64.900111.3M145 V148 F149 K161 Y162 S168 L169M145-M165 HydrophobicContact CE-CB 3.8Å; V148-M165 HydrophobicContact CG1-CB 4.31Å; V148-M165 HydrophobicContact CG1-CE 3.56Å; V148-M165 HydrophobicContact CG1-CG 4.48Å; F149-M165 HydrophobicContact CE1-CG 4.19Å; F149-M165 HydrophobicContact CE2-CB 4.27Å; F149-M165 HydrophobicContact CE2-CG 4.39Å; F149-M165 HydrophobicContact CZ-CB 3.97Å; F149-M165 HydrophobicContact CZ-CG 3.64Å; K161-M165 WeakPolarHBondContact O-CB 3.44Å; K161-M165 WeakPolarHBondContact O-CG 3.36Å; K161-M165 PolarHBondContact O-N 3.06Å; Y162-M165 PolarHBondContact O-N 2.77Å; M165-S168 PolarHBondContact O-N 2.84Å; M165-L169 WeakPolarHBondContact O-CB 3.46Å; M165-L169 VanDerWaalsContact O-CG 3.3Å; M165-L169 WeakPolarHBondContact O-CG 3.46Å; M165-L169 PolarHBondContact O-N 3.07Å
166W95Very high90.8Very high1 Ų134.1 Ų34.10%0.00419%0.186CC..Hα-helixtrans-61.5-46.9176.5179.589.7000112I71 P80 L82 T141 M145 Y162 M163 S168 L169 I170I71-W166 HydrophobicContact CG1-CZ3 4.14Å; I71-W166 HydrophobicContact CG2-CE3 4.48Å; I71-W166 HydrophobicContact CG2-CH2 3.93Å; I71-W166 HydrophobicContact CG2-CZ3 3.6Å; P80-W166 HydrophobicContact CB-CD2 3.97Å; P80-W166 HydrophobicContact CB-CE3 4.11Å; P80-W166 HydrophobicContact CB-CH2 4.13Å; P80-W166 HydrophobicContact CB-CZ2 3.97Å; P80-W166 HydrophobicContact CB-CZ3 4.19Å; P80-W166 HydrophobicContact CG-CB 4.4Å; P80-W166 HydrophobicContact CG-CD2 3.52Å; P80-W166 HydrophobicContact CG-CE3 4.06Å; P80-W166 HydrophobicContact CG-CG 3.63Å; P80-W166 HydrophobicContact CG-CZ2 4.22Å; L82-W166 HydrophobicContact CB-CH2 3.79Å; L82-W166 HydrophobicContact CB-CZ2 4.12Å; T141-W166 VanDerWaalsContact CG2-CD1 3.44Å; T141-W166 VanDerWaalsContact CG2-NE1 3.33Å; M145-W166 HydrophobicContact CE-CB 4.07Å; M145-W166 HydrophobicContact SD-CB 4.07Å; Y162-W166 HydrophobicContact CD1-CB 4.36Å; Y162-W166 HydrophobicContact CE1-CB 4.29Å; Y162-W166 WeakPolarHBondContact O-CB 3.31Å; Y162-W166 PolarHBondContact O-N 3.48Å; M163-W166 PolarHBondContact O-N 2.96Å; W166-S168 VanDerWaalsContact C-N 3.3Å; W166-S168 PolarHBondContact O-N 3.1Å; W166-L169 PolarHBondContact O-N 3.07Å; W166-I170 VanDerWaalsContact CD1-CD1 3.42Å; W166-I170 HydrophobicContact CD2-CB 4.5Å; W166-I170 HydrophobicContact CG-CD1 4.36Å; W166-I170 HydrophobicContact CZ2-CB 4.44Å; W166-I170 HydrophobicContact CZ2-CG2 3.9Å; W166-I170 WeakPolarHBondContact O-CB 2.99Å; W166-I170 PolarHBondContact O-N 3.47Å
167L92.9Very high90.6Very high1 Ų134.9 Ų34.91%0.00519%0.189CC..Iπ-helixtrans-60-42.9176-76.1167.4000111.3L10 M38 I71 M163 I164 L169 A171 S172 L176 L178L10-L167 HydrophobicContact CD1-CD1 4.46Å; M38-L167 HydrophobicContact CE-CD1 3.81Å; I71-L167 HydrophobicContact CD1-CD2 3.59Å; I71-L167 HydrophobicContact CG1-CD2 4.21Å; M163-L167 WeakPolarHBondContact O-CB 3.2Å; M163-L167 VanDerWaalsContact O-CG 3.25Å; M163-L167 WeakPolarHBondContact O-CG 3.3Å; M163-L167 PolarHBondContact O-N 3.39Å; I164-L167 PolarHBondContact O-N 2.7Å; L167-L169 VanDerWaalsContact C-N 3.3Å; L167-L169 PolarHBondContact O-N 3.05Å; L167-A171 HydrophobicContact CD2-CB 3.94Å; L167-A171 WeakPolarHBondContact O-CA 3.18Å; L167-A171 WeakPolarHBondContact O-CB 3.29Å; L167-A171 PolarHBondContact O-N 3.41Å; L167-A171 VanDerWaalsContact O-N 3.07Å; L167-S172 PolarHBondContact O-N 2.85Å; L167-L176 HydrophobicContact CD2-CD2 4.02Å; L167-L178 HydrophobicContact CB-CD1 3.96Å; L167-L178 HydrophobicContact CB-CG 4.08Å; L167-L178 HydrophobicContact CD1-CD1 4.08Å; L167-L178 HydrophobicContact CD1-CD2 3.72Å; L167-L178 HydrophobicContact CD1-CG 4.16Å
168S90.8Very high90.3Very high53 Ų5329.5 Ų29.537%0.37116%0.16SC..Iπ-helixtrans-66.7-31.6-178.7-56.70000112.8I164 M165 W166 S172I164-S168 WeakPolarHBondContact O-CB 3.4Å; I164-S168 PolarHBondContact O-N 2.81Å; I164-S168 PolarHBondContact O-OG 2.74Å; M165-S168 PolarHBondContact O-N 2.84Å; W166-S168 VanDerWaalsContact C-N 3.3Å; W166-S168 PolarHBondContact O-N 3.1Å; S168-S172 WeakPolarHBondContact O-CB 3.29Å
169L90.4Very high89.7Confident74 Ų7428.2 Ų28.239%0.38715%0.154SC..Iπ-helixtrans-95-45.6-176.6-68.8170.6000113.3M145 V148 M165 W166 L167 P173M145-L169 HydrophobicContact SD-CD1 4.45Å; V148-L169 HydrophobicContact CB-CD1 4.31Å; V148-L169 HydrophobicContact CG1-CD1 4.05Å; V148-L169 HydrophobicContact CG2-CD1 3.3Å; M165-L169 WeakPolarHBondContact O-CB 3.46Å; M165-L169 VanDerWaalsContact O-CG 3.3Å; M165-L169 WeakPolarHBondContact O-CG 3.46Å; M165-L169 PolarHBondContact O-N 3.07Å; W166-L169 PolarHBondContact O-N 3.07Å; L167-L169 VanDerWaalsContact C-N 3.3Å; L167-L169 PolarHBondContact O-N 3.05Å; L169-P173 VanDerWaalsContact O-CD 3.31Å; L169-P173 WeakPolarHBondContact O-CD 3.33Å; L169-P173 WeakPolarHBondContact O-CG 3.29Å
170I91.4Very high88.5Confident7 Ų735.2 Ų35.24%0.03618%0.183CC..Iπ-helixtrans-92.9-41.7-173.7-74.5169.5000111.3F136 T141 L144 W166 F174F136-I170 HydrophobicContact CD1-CG2 3.64Å; F136-I170 HydrophobicContact CE1-CD1 4.19Å; F136-I170 HydrophobicContact CE1-CG1 4.2Å; F136-I170 HydrophobicContact CE1-CG2 3.84Å; F136-I170 HydrophobicContact CG-CG2 4.15Å; T141-I170 HydrophobicContact CG2-CD1 3.9Å; L144-I170 HydrophobicContact CD2-CD1 4.03Å; L144-I170 HydrophobicContact CD2-CG1 4.15Å; W166-I170 VanDerWaalsContact CD1-CD1 3.42Å; W166-I170 HydrophobicContact CD2-CB 4.5Å; W166-I170 HydrophobicContact CG-CD1 4.36Å; W166-I170 HydrophobicContact CZ2-CB 4.44Å; W166-I170 HydrophobicContact CZ2-CG2 3.9Å; W166-I170 WeakPolarHBondContact O-CB 2.99Å; W166-I170 PolarHBondContact O-N 3.47Å; I170-F174 WeakPolarHBondContact O-CD2 3.42Å
171A90.8Very high87.2Confident0 Ų042.9 Ų42.90%022%0.215CC..Iπ-helixtrans-89.6-33-172.100000114L82 L167 F174 G175 L176L82-A171 HydrophobicContact CD1-CB 4.24Å; L82-A171 HydrophobicContact CD2-CB 4.05Å; L167-A171 HydrophobicContact CD2-CB 3.94Å; L167-A171 WeakPolarHBondContact O-CA 3.18Å; L167-A171 WeakPolarHBondContact O-CB 3.29Å; L167-A171 PolarHBondContact O-N 3.41Å; L167-A171 VanDerWaalsContact O-N 3.07Å; A171-F174 CarbonylContact O-C 3.48Å; A171-F174 WeakPolarHBondContact O-CA 3.47Å; A171-F174 PolarHBondContact O-N 3.39Å; A171-G175 PolarHBondContact O-N 2.95Å; A171-L176 CarbonylContact C-O 3.57Å; A171-L176 HydrophobicContact CB-CB 3.85Å; A171-L176 HydrophobicContact CB-CD2 3.74Å; A171-L176 HydrophobicContact CB-CG 4.12Å; A171-L176 PolarHBondContact O-N 2.98Å; A171-L176 VanDerWaalsContact O-N 3.16Å
172S89Confident85.4Confident34 Ų3439.6 Ų39.624%0.23820%0.201CC..G310 helixtrans-54.5-46.1177.7-1800000113.9L167 S168 F174 G175 L176 H177L167-S172 PolarHBondContact O-N 2.85Å; S168-S172 WeakPolarHBondContact O-CB 3.29Å; S172-F174 PolarHBondContact O-N 3Å; S172-F174 VanDerWaalsContact O-N 3.13Å; S172-G175 PolarHBondContact O-N 3Å; S172-L176 VanDerWaalsContact CA-O 3.23Å; S172-L176 WeakPolarHBondContact CA-O 3.33Å; S172-L176 PolarHBondContact N-O 2.86Å; S172-H177 PolarHBondContact O-NE2 3.16Å; S172-H177 PolarHBondContact OG-CD2 2.75Å; S172-H177 PolarHBondContact OG-NE2 2.64Å
173P85.8Confident83.7Confident37 Ų3742.7 Ų42.724%0.2422%0.219CC..G310 helixtrans-56.1-33.2174.6-25.535.3000113.1F109 L116 L169 G175F109-P173 WeakPolarHBondContact CD1-O 3.3Å; L116-P173 HydrophobicContact CD2-CB 3.55Å; L116-P173 WeakPolarHBondContact CD2-O 3.43Å; L169-P173 VanDerWaalsContact O-CD 3.31Å; L169-P173 WeakPolarHBondContact O-CD 3.33Å; L169-P173 WeakPolarHBondContact O-CG 3.29Å; P173-G175 PolarHBondContact O-N 3.14Å
174F87.4Confident81.9Confident2 Ų245.1 Ų45.11%0.00924%0.235CC..G310 helixtrans-86.618.2177.4-59.2-72.3000113.9Y69 L82 M84 F109 L116 P117 L121 F136 I170 A171 S172 L176Y69-F174 WeakPolarHBondContact CE1-O 3.33Å; Y69-F174 PolarHBondContact OH-O 3.44Å; L82-F174 HydrophobicContact CD2-CB 4.21Å; L82-F174 HydrophobicContact CD2-CD2 3.77Å; L82-F174 HydrophobicContact CD2-CG 4.29Å; M84-F174 HydrophobicContact CE-CB 4.28Å; M84-F174 HydrophobicContact CE-CD1 3.89Å; M84-F174 HydrophobicContact CE-CD2 4.34Å; M84-F174 HydrophobicContact CE-CE1 4.33Å; M84-F174 HydrophobicContact CE-CG 3.91Å; M84-F174 HydrophobicContact SD-CB 3.41Å; M84-F174 WeakPolarHBondContact SD-CB 3.49Å; M84-F174 HydrophobicContact SD-CD1 4.09Å; M84-F174 HydrophobicContact SD-CD2 4.39Å; M84-F174 HydrophobicContact SD-CG 3.72Å; F109-F174 VanDerWaalsContact CE1-C 3.44Å; F109-F174 VanDerWaalsContact CE1-CA 3.49Å; F109-F174 HydrophobicContact CE1-CB 4.11Å; F109-F174 HydrophobicContact CE1-CD1 4.32Å; F109-F174 VanDerWaalsContact CE1-O 3.28Å; F109-F174 WeakPolarHBondContact CE1-O 3.41Å; L116-F174 HydrophobicContact CB-CE1 4.38Å; L116-F174 HydrophobicContact CD1-CD1 4.49Å; L116-F174 HydrophobicContact CD2-CD1 4.26Å; L116-F174 HydrophobicContact CD2-CE1 4.21Å; P117-F174 HydrophobicContact CG-CZ 4.1Å; L121-F174 HydrophobicContact CD1-CD1 4.44Å; L121-F174 HydrophobicContact CD1-CE1 3.71Å; L121-F174 HydrophobicContact CD1-CZ 4.29Å; L121-F174 HydrophobicContact CD2-CE1 4.13Å; L121-F174 HydrophobicContact CD2-CZ 4.01Å; L121-F174 HydrophobicContact CG-CE1 4.2Å; L121-F174 HydrophobicContact CG-CZ 4.29Å; F136-F174 AromaticContact CD2-CE2 3.53Å; F136-F174 HydrophobicContact CD2-CE2 3.53Å; F136-F174 AromaticContact CD2-CZ 3.71Å; F136-F174 HydrophobicContact CD2-CZ 3.71Å; F136-F174 AromaticContact CE2-CE2 3.96Å; F136-F174 HydrophobicContact CE2-CE2 3.96Å; F136-F174 HydrophobicContact CE2-CZ 4.1Å; F136-F174 HydrophobicContact CG-CE2 4.27Å; I170-F174 WeakPolarHBondContact O-CD2 3.42Å; A171-F174 CarbonylContact O-C 3.48Å; A171-F174 WeakPolarHBondContact O-CA 3.47Å; A171-F174 PolarHBondContact O-N 3.39Å; S172-F174 PolarHBondContact O-N 3Å; S172-F174 VanDerWaalsContact O-N 3.13Å; F174-L176 VanDerWaalsContact C-N 3.33Å; F174-L176 PolarHBondContact O-N 3.06Å
175G86.5Confident79.9Confident1 Ų153.9 Ų53.91%0.0129%0.289CS..THydrogen-bonded Turntrans84.33.5173.800000114.4K42 V108 A171 S172 P173 H177K42-G175 PolarHBondContact NZ-O 3.1Å; V108-G175 WeakPolarHBondContact O-CA 2.78Å; A171-G175 PolarHBondContact O-N 2.95Å; S172-G175 PolarHBondContact O-N 3Å; P173-G175 PolarHBondContact O-N 3.14Å; G175-H177 PolarHBondContact O-ND1 3.15Å
176L89.4Confident79.3Confident2 Ų253.1 Ų53.11%0.0129%0.286CS..  trans-93.397.7174.8-175.364000110.4W24 Y40 Y69 I71 L82 L167 A171 S172 F174W24-L176 HydrophobicContact CH2-CD1 3.52Å; W24-L176 HydrophobicContact CH2-CD2 4.03Å; W24-L176 HydrophobicContact CH2-CG 3.95Å; W24-L176 HydrophobicContact CZ2-CD1 3.7Å; W24-L176 HydrophobicContact CZ2-CG 4.41Å; W24-L176 HydrophobicContact CZ3-CD1 4.44Å; Y40-L176 HydrophobicContact CD1-CD1 3.25Å; Y40-L176 HydrophobicContact CE1-CD1 4.05Å; Y40-L176 HydrophobicContact CG-CD1 3.79Å; Y69-L176 HydrophobicContact CD1-CB 3.85Å; Y69-L176 HydrophobicContact CD1-CD1 4.47Å; Y69-L176 HydrophobicContact CD1-CD2 4.26Å; Y69-L176 HydrophobicContact CD1-CG 4.43Å; Y69-L176 HydrophobicContact CD2-CD1 4.02Å; Y69-L176 HydrophobicContact CE1-CB 4Å; Y69-L176 HydrophobicContact CG-CB 4.18Å; Y69-L176 HydrophobicContact CG-CD1 3.94Å; Y69-L176 HydrophobicContact CG-CD2 4.17Å; Y69-L176 HydrophobicContact CG-CG 4.34Å; I71-L176 HydrophobicContact CD1-CD2 4.24Å; L82-L176 HydrophobicContact CD1-CD2 4.08Å; L167-L176 HydrophobicContact CD2-CD2 4.02Å; A171-L176 CarbonylContact C-O 3.57Å; A171-L176 HydrophobicContact CB-CB 3.85Å; A171-L176 HydrophobicContact CB-CD2 3.74Å; A171-L176 HydrophobicContact CB-CG 4.12Å; A171-L176 PolarHBondContact O-N 2.98Å; A171-L176 VanDerWaalsContact O-N 3.16Å; S172-L176 VanDerWaalsContact CA-O 3.23Å; S172-L176 WeakPolarHBondContact CA-O 3.33Å; S172-L176 PolarHBondContact N-O 2.86Å; F174-L176 VanDerWaalsContact C-N 3.33Å; F174-L176 PolarHBondContact O-N 3.06Å
177H86Confident78.4Confident66 Ų6655.8 Ų55.831%0.30630%0.301SS..  trans-104.3139.9-178.4-58.287.2000110.8S172 G175S172-H177 PolarHBondContact O-NE2 3.16Å; S172-H177 PolarHBondContact OG-CD2 2.75Å; S172-H177 PolarHBondContact OG-NE2 2.64Å; G175-H177 PolarHBondContact O-ND1 3.15Å
178L84.2Confident77.6Confident29 Ų2958.8 Ų58.815%0.15232%0.318CS..  trans-74.2136.2167.5-72.8-178.6000110L14 I164 L167 Q180L14-L178 HydrophobicContact CD2-CD2 3.58Å; I164-L178 HydrophobicContact CB-CD1 4.32Å; I164-L178 HydrophobicContact CG1-CD1 4.31Å; I164-L178 HydrophobicContact CG2-CD1 4Å; L167-L178 HydrophobicContact CB-CD1 3.96Å; L167-L178 HydrophobicContact CB-CG 4.08Å; L167-L178 HydrophobicContact CD1-CD1 4.08Å; L167-L178 HydrophobicContact CD1-CD2 3.72Å; L167-L178 HydrophobicContact CD1-CG 4.16Å; L178-Q180 PolarHBondContact O-N 3.48Å
179P79.4Confident76.9Confident27 Ų2759.2 Ų59.218%0.17531%0.314CS..  trans-57.2135.8170.1-22.832.9000111.1L14 K181 S182L14-P179 HydrophobicContact CD2-CG 4.32Å; P179-K181 PolarHBondContact O-N 3.4Å; P179-S182 PolarHBondContact O-N 3.3Å; P179-S182 PolarHBondContact O-OG 3.17Å
180Q66.4Low76Confident192 Ų19258.3 Ų58.390%0.89731%0.31SS*.THydrogen-bonded Turntrans-57.3-22.6-177.3-72.3-176.6-16.700114.2L178L178-Q180 PolarHBondContact O-N 3.48Å
181K62.7Low75Confident179 Ų17961.7 Ų61.778%0.77833%0.328SS*.THydrogen-bonded Turntrans-85.2-6179.3-65.7178.5-177.5171.30114.2I15 P179I15-K181 HydrophobicContact CD1-CB 4.04Å; I15-K181 HydrophobicContact CD1-CD 4.33Å; P179-K181 PolarHBondContact O-N 3.4Å
182S55Low73.9Confident4 Ų466.1 Ų66.13%0.02835%0.352CS..  trans-96.84.4-170.573.20000114.8N13 L14 P179 P184N13-S182 WeakPolarHBondContact O-CB 3.29Å; L14-S182 WeakPolarHBondContact CD2-OG 3.42Å; P179-S182 PolarHBondContact O-N 3.3Å; P179-S182 PolarHBondContact O-OG 3.17Å; S182-P184 VanDerWaalsContact O-CD 3.24Å; S182-P184 WeakPolarHBondContact O-CD 3.37Å
183I57.1Low72.7Confident100 Ų10068.5 Ų68.551%0.51336%0.36SS..  trans-86109.6177.4-56.9173.7000107.6I164 T185I164-I183 HydrophobicContact CG2-CG1 4.41Å; I183-T185 PolarHBondContact O-N 2.81Å
184P54.1Low71.6Confident53 Ų5371.2 Ų71.234%0.34437%0.37SS..  trans-67.2126.3173.7-11.929000108.6I164 S182I164-P184 VanDerWaalsContact CD1-CD 3.48Å; I164-P184 HydrophobicContact CD1-CG 4.48Å; S182-P184 VanDerWaalsContact O-CD 3.24Å; S182-P184 WeakPolarHBondContact O-CD 3.37Å
185T51.1Low70.2Confident199 Ų19977.5 Ų77.5100%1.22140%0.403SS*.  trans-59.60175.9-42.30000112.2I183I183-T185 PolarHBondContact O-N 2.81Å

Retrieved 185 of 185 residues in 178.3 ms (Link to these results)

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