A0A5K4FBY9_SCHMA Loading...

40S ribosomal protein S8

AlphaFold DB , UniProt , Accession A0A5K4FBY9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 123 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
1M74Confident90.5Very high246 Ų246106.5 Ų106.5100%1.21254%0.541SS*.  0136.60-83.4-175.3-16900109.1
2R83.8Confident90.5Very high255 Ų255102.9 Ų102.996%0.96253%0.533SS*.  trans-129.8140.6171.6-66.5-173.6175.197.90.9108
3L90.4Very high90.3Very high114 Ų11496.3 Ų96.360%0.59750%0.498SS*.  trans-125.9125.4-178.5-166116.7000108.2Q5 I21 L39L3-Q5 WeakPolarHBondContact CD2-O 3.31Å; L3-I21 HydrophobicContact CD2-CD1 4.15Å; L3-L39 HydrophobicContact CB-CD1 4.13Å; L3-L39 HydrophobicContact CD2-CD1 4.13Å
4D91Very high90.5Very high87 Ų8796.2 Ų96.247%0.46552%0.518SS..  trans-106.2-21.7-176.567.3-50.9000112.8K20 I21D4-K20 CarbonylContact O-C 3.58Å; D4-K20 WeakPolarHBondContact O-CA 3.37Å; D4-K20 VanDerWaalsContact O-CG 3.29Å; D4-K20 WeakPolarHBondContact O-CG 2.94Å; D4-I21 PolarHBondContact O-N 3.49Å
5Q93.3Very high90.6Very high76 Ų7691.2 Ų91.236%0.35549%0.491SS..EExtended strand (participates in β ladder)trans-128.7141.8-175.6-70.2165.736.300112L3 K18 T19L3-Q5 WeakPolarHBondContact CD2-O 3.31Å; Q5-K18 HydrophobicContact CB-CG 4.45Å; Q5-T19 WeakPolarHBondContact CA-O 3.3Å
6G93.5Very high90.9Very high16 Ų1689.8 Ų89.817%0.16549%0.491CS..EExtended strand (participates in β ladder)trans-134.7165.3175.500000111.9K18 T19G6-K18 CarbonylContact O-C 3.52Å; G6-K18 VanDerWaalsContact O-CA 3.32Å; G6-K18 WeakPolarHBondContact O-CA 3.29Å; G6-T19 PolarHBondContact N-O 2.74Å; G6-T19 PolarHBondContact O-N 3.45Å
7N95.3Very high91.1Very high119 Ų11991.1 Ų91.164%0.63649%0.487SS*.EExtended strand (participates in β ladder)trans-95.5112.7169.8-168.213.5000108.8R17N7-R17 VanDerWaalsContact OD1-C 3.31Å; N7-R17 PolarHBondContact OD1-N 3.06Å; N7-R17 PolarHBondContact OD1-O 2.94Å
8F95.2Very high91.3Very high48 Ų4893.8 Ų93.821%0.21149%0.493CS..EExtended strand (participates in β ladder)trans-109.6143.6-178.9-67.9-88.4000109.9S16 R17 T19 I21 V45 I47 F52F8-S16 CarbonylContact O-C 3.6Å; F8-S16 VanDerWaalsContact O-CA 3.26Å; F8-S16 WeakPolarHBondContact O-CA 3.37Å; F8-R17 PolarHBondContact N-O 3.17Å; F8-R17 PolarHBondContact O-N 3.06Å; F8-T19 WeakPolarHBondContact CD2-OG1 3.32Å; F8-I21 HydrophobicContact CE2-CD1 4.38Å; F8-I21 HydrophobicContact CE2-CG1 3.83Å; F8-I21 HydrophobicContact CZ-CD1 4.11Å; F8-I21 HydrophobicContact CZ-CG1 3.82Å; F8-V45 HydrophobicContact CE1-CG2 3.67Å; F8-V45 HydrophobicContact CZ-CG2 3.92Å; F8-I47 HydrophobicContact CB-CD1 4.15Å; F8-I47 HydrophobicContact CD1-CD1 4.36Å; F8-I47 HydrophobicContact CD1-CG2 3.85Å; F8-I47 HydrophobicContact CD2-CG2 3.87Å; F8-I47 HydrophobicContact CE1-CG2 3.6Å; F8-I47 HydrophobicContact CE2-CG2 3.59Å; F8-I47 HydrophobicContact CG-CD1 4.16Å; F8-I47 HydrophobicContact CG-CG2 3.97Å; F8-I47 HydrophobicContact CZ-CG2 3.46Å; F8-I47 VanDerWaalsContact CZ-CG2 3.46Å; F8-F52 HydrophobicContact CB-CE2 4.29Å; F8-F52 HydrophobicContact CB-CZ 3.96Å; F8-F52 WeakPolarHBondContact O-CZ 3.42Å
9S94.9Very high91.4Very high79 Ų7989.1 Ų89.155%0.55247%0.468SS*.EExtended strand (participates in β ladder)trans-109.6140.5-179.358.60000111.1P11 I15 S16S9-P11 WeakPolarHBondContact O-CD 3.45Å; S9-I15 CarbonylContact C-O 3.53Å; S9-I15 VanDerWaalsContact CA-O 3.26Å; S9-I15 WeakPolarHBondContact CA-O 3.36Å; S9-S16 WeakPolarHBondContact CB-OG 3.47Å
10W92.1Very high91.5Very high22 Ų2290.6 Ų90.68%0.08347%0.471CS..EExtended strand (participates in β ladder)trans-103.296.2167.1-172.9-4.9000107.7S12 Q13 A14 I15 F52 F56 V110 L114 L118W10-S12 VanDerWaalsContact CD1-OG 3.32Å; W10-S12 PolarHBondContact NE1-OG 3.18Å; W10-S12 PolarHBondContact O-N 3.42Å; W10-Q13 HydrophobicContact CB-CB 4.43Å; W10-Q13 HydrophobicContact CD2-CB 4.08Å; W10-Q13 HydrophobicContact CD2-CG 3.51Å; W10-Q13 VanDerWaalsContact CE2-CG 3.47Å; W10-Q13 HydrophobicContact CE3-CB 4.43Å; W10-Q13 HydrophobicContact CE3-CG 3.86Å; W10-Q13 HydrophobicContact CG-CB 4.08Å; W10-Q13 HydrophobicContact CG-CG 3.94Å; W10-Q13 HydrophobicContact CH2-CG 4.12Å; W10-Q13 HydrophobicContact CZ2-CG 3.78Å; W10-Q13 HydrophobicContact CZ3-CG 4.16Å; W10-Q13 CarbonylContact O-C 3.57Å; W10-Q13 PolarHBondContact O-N 2.8Å; W10-Q13 VanDerWaalsContact O-N 3.12Å; W10-A14 PolarHBondContact O-N 3.17Å; W10-I15 HydrophobicContact CB-CD1 4.45Å; W10-I15 HydrophobicContact CB-CG1 3.85Å; W10-I15 HydrophobicContact CE3-CD1 4.33Å; W10-I15 PolarHBondContact N-O 2.93Å; W10-I15 PolarHBondContact O-N 3.11Å; W10-F52 HydrophobicContact CB-CD1 4.38Å; W10-F52 HydrophobicContact CB-CE1 4.26Å; W10-F52 HydrophobicContact CE3-CB 4.38Å; W10-F52 HydrophobicContact CE3-CD1 4.33Å; W10-F56 HydrophobicContact CH2-CD2 4.09Å; W10-F56 HydrophobicContact CZ3-CD2 4.31Å; W10-V110 HydrophobicContact CH2-CG1 4.15Å; W10-V110 HydrophobicContact CH2-CG2 3.78Å; W10-V110 HydrophobicContact CZ2-CG1 4.03Å; W10-V110 HydrophobicContact CZ2-CG2 4.04Å; W10-L114 HydrophobicContact CH2-CD2 4.23Å; W10-L114 HydrophobicContact CZ2-CD2 3.4Å; W10-L114 VanDerWaalsContact CZ2-CD2 3.4Å; W10-L114 HydrophobicContact CZ2-CG 4.46Å; W10-L118 HydrophobicContact CH2-CD1 4.06Å; W10-L118 HydrophobicContact CZ3-CD1 4.16Å
11P91.6Very high91.6Very high109 Ų10987.5 Ų87.571%0.70846%0.455SS*.G310 helixtrans-64.5-37.1-167.822.5-33.4000113.1S9 Q13 A14S9-P11 WeakPolarHBondContact O-CD 3.45Å; P11-Q13 PolarHBondContact O-N 3.34Å; P11-A14 PolarHBondContact O-N 3.37Å; P11-A14 VanDerWaalsContact O-N 3.15Å
12S90.7Very high92.4Very high64 Ų6479.6 Ų79.645%0.44842%0.417SS..G310 helixtrans-67-19.7179.5730000113.4W10 Q107W10-S12 VanDerWaalsContact CD1-OG 3.32Å; W10-S12 PolarHBondContact NE1-OG 3.18Å; W10-S12 PolarHBondContact O-N 3.42Å; S12-Q107 PolarHBondContact O-NE2 3.36Å; S12-Q107 PolarHBondContact O-OE1 3.06Å
13Q88.7Confident92.8Very high17 Ų1769.8 Ų69.88%0.07938%0.383CS..G310 helixtrans-106.3-1.7177.8-62.4-63.8-22.100112.4W10 P11 I15 W55 Y60 Q107W10-Q13 HydrophobicContact CB-CB 4.43Å; W10-Q13 HydrophobicContact CD2-CB 4.08Å; W10-Q13 HydrophobicContact CD2-CG 3.51Å; W10-Q13 VanDerWaalsContact CE2-CG 3.47Å; W10-Q13 HydrophobicContact CE3-CB 4.43Å; W10-Q13 HydrophobicContact CE3-CG 3.86Å; W10-Q13 HydrophobicContact CG-CB 4.08Å; W10-Q13 HydrophobicContact CG-CG 3.94Å; W10-Q13 HydrophobicContact CH2-CG 4.12Å; W10-Q13 HydrophobicContact CZ2-CG 3.78Å; W10-Q13 HydrophobicContact CZ3-CG 4.16Å; W10-Q13 CarbonylContact O-C 3.57Å; W10-Q13 PolarHBondContact O-N 2.8Å; W10-Q13 VanDerWaalsContact O-N 3.12Å; P11-Q13 PolarHBondContact O-N 3.34Å; Q13-I15 HydrophobicContact CB-CG1 4.05Å; Q13-I15 WeakPolarHBondContact O-CG2 3.46Å; Q13-I15 PolarHBondContact O-N 3.07Å; Q13-W55 HydrophobicContact CB-CH2 4.19Å; Q13-W55 HydrophobicContact CB-CZ3 4.16Å; Q13-W55 HydrophobicContact CG-CZ3 4.28Å; Q13-Y60 PolarHBondContact OE1-OH 3.06Å; Q13-Q107 PolarHBondContact NE2-O 3.49Å
14A91.8Very high92.8Very high95 Ų9564.7 Ų64.779%0.78536%0.357SS*.THydrogen-bonded Turntrans5036.3-174.900000114.3W10 P11W10-A14 PolarHBondContact O-N 3.17Å; P11-A14 PolarHBondContact O-N 3.37Å; P11-A14 VanDerWaalsContact O-N 3.15Å
15I93.2Very high92.9Very high21 Ų2164.6 Ų64.611%0.10836%0.359CS..EExtended strand (participates in β ladder)trans-115.2152.117764.2167.7000111.9S9 W10 Q13 F52 W55S9-I15 CarbonylContact C-O 3.53Å; S9-I15 VanDerWaalsContact CA-O 3.26Å; S9-I15 WeakPolarHBondContact CA-O 3.36Å; W10-I15 HydrophobicContact CB-CD1 4.45Å; W10-I15 HydrophobicContact CB-CG1 3.85Å; W10-I15 HydrophobicContact CE3-CD1 4.33Å; W10-I15 PolarHBondContact N-O 2.93Å; W10-I15 PolarHBondContact O-N 3.11Å; Q13-I15 HydrophobicContact CB-CG1 4.05Å; Q13-I15 WeakPolarHBondContact O-CG2 3.46Å; Q13-I15 PolarHBondContact O-N 3.07Å; I15-F52 HydrophobicContact CD1-CD1 3.85Å; I15-F52 HydrophobicContact CD1-CE1 4.29Å; I15-F52 HydrophobicContact CG1-CD1 4.46Å; I15-F52 HydrophobicContact CG1-CE1 4.48Å; I15-W55 HydrophobicContact CD1-CD2 3.53Å; I15-W55 HydrophobicContact CD1-CE3 3.42Å; I15-W55 VanDerWaalsContact CD1-CE3 3.42Å; I15-W55 HydrophobicContact CD1-CG 4.05Å; I15-W55 HydrophobicContact CD1-CH2 4.26Å; I15-W55 HydrophobicContact CD1-CZ2 4.37Å; I15-W55 HydrophobicContact CD1-CZ3 3.8Å; I15-W55 HydrophobicContact CG2-CD2 4.34Å; I15-W55 HydrophobicContact CG2-CH2 3.78Å; I15-W55 HydrophobicContact CG2-CZ2 3.39Å; I15-W55 HydrophobicContact CG2-CZ3 4.41Å
16S95.2Very high93Very high69 Ų6966.5 Ų66.548%0.48336%0.364SS..EExtended strand (participates in β ladder)trans-128.3139.9167.7-57.20000109.9F8 S9F8-S16 CarbonylContact O-C 3.6Å; F8-S16 VanDerWaalsContact O-CA 3.26Å; F8-S16 WeakPolarHBondContact O-CA 3.37Å; S9-S16 WeakPolarHBondContact CB-OG 3.47Å
17R94.1Very high93Very high112 Ų11266.1 Ų66.142%0.42336%0.358SS..EExtended strand (participates in β ladder)trans-139.8144.3179.1-69.5-66.5-178.5149.8-9.5110N7 F8 T19 P51 F52N7-R17 VanDerWaalsContact OD1-C 3.31Å; N7-R17 PolarHBondContact OD1-N 3.06Å; N7-R17 PolarHBondContact OD1-O 2.94Å; F8-R17 PolarHBondContact N-O 3.17Å; F8-R17 PolarHBondContact O-N 3.06Å; R17-T19 HydrophobicContact CB-CG2 4.4Å; R17-T19 PolarHBondContact O-N 2.97Å; R17-P51 HydrophobicContact CB-CB 4.37Å; R17-F52 HydrophobicContact CB-CD1 4.33Å; R17-F52 HydrophobicContact CB-CE1 3.82Å; R17-F52 HydrophobicContact CB-CZ 4.04Å; R17-F52 HydrophobicContact CG-CD1 4.29Å; R17-F52 HydrophobicContact CG-CE1 4.1Å
18K95.2Very high92.8Very high139 Ų13964.1 Ų64.160%0.60436%0.358SS*.EExtended strand (participates in β ladder)trans-71.3121.6169.5-160.5-174.1-167.3-159.60108.5Q5 G6Q5-K18 HydrophobicContact CB-CG 4.45Å; G6-K18 CarbonylContact O-C 3.52Å; G6-K18 VanDerWaalsContact O-CA 3.32Å; G6-K18 WeakPolarHBondContact O-CA 3.29Å
19T93.3Very high92.6Very high4 Ų467 Ų673%0.02539%0.385CS..EExtended strand (participates in β ladder)trans-133.7157.5177.368.70000110.5Q5 G6 F8 R17 P51 F52Q5-T19 WeakPolarHBondContact CA-O 3.3Å; G6-T19 PolarHBondContact N-O 2.74Å; G6-T19 PolarHBondContact O-N 3.45Å; F8-T19 WeakPolarHBondContact CD2-OG1 3.32Å; R17-T19 HydrophobicContact CB-CG2 4.4Å; R17-T19 PolarHBondContact O-N 2.97Å; T19-P51 HydrophobicContact CG2-CB 3.9Å; T19-P51 HydrophobicContact CG2-CG 3.73Å; T19-F52 HydrophobicContact CG2-CD2 3.93Å; T19-F52 HydrophobicContact CG2-CE2 3.37Å; T19-F52 HydrophobicContact CG2-CZ 4Å
20K93.2Very high92.4Very high119 Ų11965.6 Ų65.652%0.51738%0.375SS..EExtended strand (participates in β ladder)trans-78.3140175.3-166-179.7179-178.80109.8D4 D48D4-K20 CarbonylContact O-C 3.58Å; D4-K20 WeakPolarHBondContact O-CA 3.37Å; D4-K20 VanDerWaalsContact O-CG 3.29Å; D4-K20 WeakPolarHBondContact O-CG 2.94Å; K20-D48 HydrophobicContact CB-CB 4.39Å; K20-D48 PolarHBondContact O-N 3.06Å
21I92.6Very high92.4Very high26 Ų2670.2 Ų70.213%0.13340%0.401CS..EExtended strand (participates in β ladder)trans-84.8122.6171.8-54.1176.1000107.3L3 D4 F8 L39 V45L3-I21 HydrophobicContact CD2-CD1 4.15Å; D4-I21 PolarHBondContact O-N 3.49Å; F8-I21 HydrophobicContact CE2-CD1 4.38Å; F8-I21 HydrophobicContact CE2-CG1 3.83Å; F8-I21 HydrophobicContact CZ-CD1 4.11Å; F8-I21 HydrophobicContact CZ-CG1 3.82Å; I21-L39 HydrophobicContact CD1-CD1 3.91Å; I21-L39 HydrophobicContact CD1-CD2 4.33Å; I21-L39 HydrophobicContact CG2-CD2 4.43Å; I21-V45 HydrophobicContact CG2-CB 4.26Å; I21-V45 HydrophobicContact CG2-CG1 4.46Å
22I91.1Very high92.5Very high80 Ų8069.7 Ų69.741%0.4139%0.389SS..EExtended strand (participates in β ladder)trans-86.2-55.1179.9-59.7174.9000109.1Q46 D48I22-Q46 HydrophobicContact CB-CB 4.46Å; I22-Q46 HydrophobicContact CB-CG 4.44Å; I22-Q46 HydrophobicContact CD1-CG 4.39Å; I22-Q46 PolarHBondContact N-O 2.98Å; I22-D48 HydrophobicContact CD1-CB 4.37Å
23D91.5Very high92.5Very high49 Ų4969 Ų6926%0.26238%0.38SS..EExtended strand (participates in β ladder)trans-154.3164.3-178.3-143-13000113.3K37 V45 Q46D23-K37 VanDerWaalsContact OD1-CD 3.23Å; D23-K37 WeakPolarHBondContact OD1-CD 3.44Å; D23-K37 VanDerWaalsContact OD1-CE 3.31Å; D23-K37 WeakPolarHBondContact OD1-CE 3.43Å; D23-K37 WeakPolarHBondContact OD1-CG 3.5Å; D23-K37 IonicContact OD1-NZ 2.94Å; D23-K37 PolarHBondContact OD1-NZ 3.13Å; D23-K37 IonicContact OD2-NZ 2.77Å; D23-K37 PolarHBondContact OD2-NZ 3.19Å; D23-V45 CarbonylContact O-C 3.6Å; D23-V45 VanDerWaalsContact O-CA 3.32Å; D23-V45 WeakPolarHBondContact O-CA 3.45Å; D23-Q46 PolarHBondContact N-O 2.98Å; D23-Q46 PolarHBondContact O-N 3.2Å
24V91.5Very high92.7Very high7 Ų769.9 Ų69.94%0.04239%0.386CS..EExtended strand (participates in β ladder)trans-96120.5166.2-175.50000107.4V34 K37 L39 A43 V45V24-V34 WeakPolarHBondContact O-CG1 3.45Å; V24-K37 HydrophobicContact CG2-CB 4.49Å; V24-L39 HydrophobicContact CG2-CD2 3.73Å; V24-A43 HydrophobicContact CG1-CB 4.21Å; V24-V45 HydrophobicContact CG2-CG1 4.17Å
25V93Very high92.7Very high85 Ų8574 Ų7452%0.51538%0.382SS..EExtended strand (participates in β ladder)trans-95-37.7-175.5-179.50000111.1V34 I44 Q46V25-V34 WeakPolarHBondContact O-CG1 3.45Å; V25-I44 PolarHBondContact N-O 2.78Å; V25-Q46 HydrophobicContact CG2-CB 3.91Å
26Y94.6Very high92.8Very high117 Ų11776.6 Ų76.646%0.45940%0.398SS..EExtended strand (participates in β ladder)trans-151.5144.8-175174.5-95.5000112.3A28 I44Y26-A28 HydrophobicContact CE1-CB 4.12Å; Y26-I44 HydrophobicContact CD1-CD1 3.62Å; Y26-I44 HydrophobicContact CD1-CG1 4.01Å; Y26-I44 HydrophobicContact CE1-CD1 4.43Å; Y26-I44 HydrophobicContact CG-CD1 4.31Å; Y26-I44 PolarHBondContact N-O 3.4Å; Y26-I44 PolarHBondContact O-N 3.21Å
27N93.3Very high92.6Very high7 Ų778.9 Ų78.94%0.03740%0.4CS..  trans-137.8132.1169.2-176.18.8000109.5S29 L33 V34N27-S29 VanDerWaalsContact C-N 3.33Å; N27-S29 PolarHBondContact O-N 3.19Å; N27-S29 PolarHBondContact OD1-N 3.07Å; N27-L33 WeakPolarHBondContact ND2-CB 3.42Å; N27-L33 WeakPolarHBondContact ND2-CD1 3.34Å; N27-V34 HydrophobicContact CB-CG2 3.9Å
28A92.1Very high92.5Very high77 Ų7776.4 Ų76.464%0.63640%0.397SS*.SBendtrans-68.3-29.3-176.600000113.8Y26Y26-A28 HydrophobicContact CE1-CB 4.12Å
29S91.3Very high92.3Very high110 Ų11073.3 Ų73.377%0.76939%0.387SS*.SBendtrans-89.5-34.8-171-56.20000114.2N27N27-S29 VanDerWaalsContact C-N 3.33Å; N27-S29 PolarHBondContact O-N 3.19Å; N27-S29 PolarHBondContact OD1-N 3.07Å
30S91.2Very high92.3Very high49 Ų4976.5 Ų76.534%0.34341%0.406SS..  trans-162.5136.9-178.11760000111.4E32S30-E32 VanDerWaalsContact C-N 3.33Å; S30-E32 PolarHBondContact OG-N 3.08Å
31N91.7Very high92.2Very high118 Ų11879.7 Ų79.763%0.63142%0.42SS*.THydrogen-bonded Turntrans-74.9-21.4177.5-67.7-21.8000112.9L33 V34 R35N31-L33 PolarHBondContact O-N 3.31Å; N31-V34 WeakPolarHBondContact O-CB 3.44Å; N31-V34 PolarHBondContact O-N 2.83Å; N31-R35 PolarHBondContact O-N 3.06Å; N31-R35 VanDerWaalsContact O-N 3.11Å
32E92.6Very high92.2Very high99 Ų9989.3 Ų89.346%0.46346%0.455SS..Hα-helixtrans-62.8-29.5176.3-70.9-53.5121.300112S30 V34 R35 T36S30-E32 VanDerWaalsContact C-N 3.33Å; S30-E32 PolarHBondContact OG-N 3.08Å; E32-V34 VanDerWaalsContact C-N 3.31Å; E32-R35 PolarHBondContact O-N 2.89Å; E32-R35 IonicContact OE1-NE 3.95Å; E32-R35 IonicContact OE2-CZ 3.33Å; E32-R35 IonicContact OE2-NE 2.95Å; E32-R35 PolarHBondContact OE2-NE 2.96Å; E32-R35 IonicContact OE2-NH2 2.81Å; E32-R35 PolarHBondContact OE2-NH2 3.41Å; E32-T36 WeakPolarHBondContact O-CB 3.16Å; E32-T36 WeakPolarHBondContact O-CG2 3.36Å; E32-T36 PolarHBondContact O-N 3.4Å; E32-T36 PolarHBondContact O-OG1 3.24Å
33L91.4Very high92.4Very high50 Ų5086.4 Ų86.426%0.26244%0.443SS..Hα-helixtrans-71.6-29.2177.4-64.8171.5000112N27 N31 T36 K37 T38 V40N27-L33 WeakPolarHBondContact ND2-CB 3.42Å; N27-L33 WeakPolarHBondContact ND2-CD1 3.34Å; N31-L33 PolarHBondContact O-N 3.31Å; L33-T36 PolarHBondContact O-OG1 3.22Å; L33-K37 PolarHBondContact O-N 3.19Å; L33-T38 HydrophobicContact CD2-CG2 3.87Å; L33-T38 PolarHBondContact O-N 2.82Å; L33-V40 HydrophobicContact CD1-CG2 4.18Å
34V92.3Very high92.5Very high34 Ų3488.6 Ų88.621%0.20645%0.453CS..Hα-helixtrans-69.5-48.5171.4-176.60000109.5V24 V25 N27 N31 E32 T36 K37V24-V34 WeakPolarHBondContact O-CG1 3.45Å; V25-V34 WeakPolarHBondContact O-CG1 3.45Å; N27-V34 HydrophobicContact CB-CG2 3.9Å; N31-V34 WeakPolarHBondContact O-CB 3.44Å; N31-V34 PolarHBondContact O-N 2.83Å; E32-V34 VanDerWaalsContact C-N 3.31Å; V34-T36 VanDerWaalsContact C-N 3.26Å; V34-T36 PolarHBondContact O-N 3.31Å; V34-K37 PolarHBondContact O-N 2.89Å; V34-K37 VanDerWaalsContact O-N 3.09Å
35R93.1Very high92.6Very high183 Ų18390.1 Ų90.169%0.69146%0.463SS*.Hα-helixtrans-60.3-35.6-179.6-167.1176.96888.60.2113N31 E32N31-R35 PolarHBondContact O-N 3.06Å; N31-R35 VanDerWaalsContact O-N 3.11Å; E32-R35 PolarHBondContact O-N 2.89Å; E32-R35 IonicContact OE1-NE 3.95Å; E32-R35 IonicContact OE2-CZ 3.33Å; E32-R35 IonicContact OE2-NE 2.95Å; E32-R35 PolarHBondContact OE2-NE 2.96Å; E32-R35 IonicContact OE2-NH2 2.81Å; E32-R35 PolarHBondContact OE2-NH2 3.41Å
36T93.9Very high92.6Very high74 Ų7489.3 Ų89.345%0.45445%0.453SS..THydrogen-bonded Turntrans-90.8-2.6-179.955.20000114E32 L33 V34 T38E32-T36 WeakPolarHBondContact O-CB 3.16Å; E32-T36 WeakPolarHBondContact O-CG2 3.36Å; E32-T36 PolarHBondContact O-N 3.4Å; E32-T36 PolarHBondContact O-OG1 3.24Å; L33-T36 PolarHBondContact O-OG1 3.22Å; V34-T36 VanDerWaalsContact C-N 3.26Å; V34-T36 PolarHBondContact O-N 3.31Å; T36-T38 PolarHBondContact O-N 3.15Å; T36-T38 PolarHBondContact OG1-OG1 3.42Å
37K91.3Very high92.5Very high118 Ų11886.3 Ų86.351%0.51344%0.444SS..THydrogen-bonded Turntrans55.237.7-175.8-49-173.5-176.2-129.20112.9D23 V24 L33 V34D23-K37 VanDerWaalsContact OD1-CD 3.23Å; D23-K37 WeakPolarHBondContact OD1-CD 3.44Å; D23-K37 VanDerWaalsContact OD1-CE 3.31Å; D23-K37 WeakPolarHBondContact OD1-CE 3.43Å; D23-K37 WeakPolarHBondContact OD1-CG 3.5Å; D23-K37 IonicContact OD1-NZ 2.94Å; D23-K37 PolarHBondContact OD1-NZ 3.13Å; D23-K37 IonicContact OD2-NZ 2.77Å; D23-K37 PolarHBondContact OD2-NZ 3.19Å; V24-K37 HydrophobicContact CG2-CB 4.49Å; L33-K37 PolarHBondContact O-N 3.19Å; V34-K37 PolarHBondContact O-N 2.89Å; V34-K37 VanDerWaalsContact O-N 3.09Å
38T92.4Very high92.4Very high59 Ų5988.8 Ų88.836%0.36246%0.457SS..  trans-82123.3179.8-59.20000109.8L33 T36 V40L33-T38 HydrophobicContact CD2-CG2 3.87Å; L33-T38 PolarHBondContact O-N 2.82Å; T36-T38 PolarHBondContact O-N 3.15Å; T36-T38 PolarHBondContact OG1-OG1 3.42Å; T38-V40 HydrophobicContact CG2-CG2 4.27Å
39L91.6Very high92.2Very high75 Ų7585.5 Ų85.539%0.39343%0.432SS..  trans-79.6124179.2-62.3175.2000110.9L3 I21 V24 V45L3-L39 HydrophobicContact CB-CD1 4.13Å; L3-L39 HydrophobicContact CD2-CD1 4.13Å; I21-L39 HydrophobicContact CD1-CD1 3.91Å; I21-L39 HydrophobicContact CD1-CD2 4.33Å; I21-L39 HydrophobicContact CG2-CD2 4.43Å; V24-L39 HydrophobicContact CG2-CD2 3.73Å; L39-V45 HydrophobicContact CD2-CG1 4.1Å
40V92.1Very high92Very high71 Ų7181.5 Ų81.543%0.4341%0.405SS..  trans-133.3156.9177.3-173.70000109L33 T38 R42 A43L33-V40 HydrophobicContact CD1-CG2 4.18Å; T38-V40 HydrophobicContact CG2-CG2 4.27Å; V40-R42 PolarHBondContact O-N 2.96Å; V40-A43 VanDerWaalsContact O-CB 3.29Å; V40-A43 WeakPolarHBondContact O-CB 3.24Å; V40-A43 PolarHBondContact O-N 2.97Å; V40-A43 VanDerWaalsContact O-N 3.12Å
41K92.2Very high92Very high186 Ų18680.7 Ų80.781%0.80940%0.398SS*.THydrogen-bonded Turntrans-56.3133.7172.2-168.9180-179.9177.10109.9A43K41-A43 VanDerWaalsContact C-N 3.27Å; K41-A43 PolarHBondContact O-N 3.24Å
42R93.1Very high92Very high228 Ų22875.5 Ų75.586%0.8637%0.37SS*.THydrogen-bonded Turntrans69.58.1-176.1-56.9179.2169.5-174.8-3.3116.1V40 I44V40-R42 PolarHBondContact O-N 2.96Å; R42-I44 PolarHBondContact O-N 3.24Å
43A93.5Very high91.7Very high19 Ų1973.2 Ų73.216%0.15736%0.358CS..  trans-61.8137.4167.200000110.1V24 V40 K41V24-A43 HydrophobicContact CG1-CB 4.21Å; V40-A43 VanDerWaalsContact O-CB 3.29Å; V40-A43 WeakPolarHBondContact O-CB 3.24Å; V40-A43 PolarHBondContact O-N 2.97Å; V40-A43 VanDerWaalsContact O-N 3.12Å; K41-A43 VanDerWaalsContact C-N 3.27Å; K41-A43 PolarHBondContact O-N 3.24Å
44I94.7Very high91.4Very high95 Ų9577 Ų7749%0.48737%0.374SS..EExtended strand (participates in β ladder)trans-87122.3172.6-57.1-178.2000107.3V25 Y26 R42V25-I44 PolarHBondContact N-O 2.78Å; Y26-I44 HydrophobicContact CD1-CD1 3.62Å; Y26-I44 HydrophobicContact CD1-CG1 4.01Å; Y26-I44 HydrophobicContact CE1-CD1 4.43Å; Y26-I44 HydrophobicContact CG-CD1 4.31Å; Y26-I44 PolarHBondContact N-O 3.4Å; Y26-I44 PolarHBondContact O-N 3.21Å; R42-I44 PolarHBondContact O-N 3.24Å
45V93.4Very high91.3Very high39 Ų3977.2 Ų77.224%0.23637%0.371CS..EExtended strand (participates in β ladder)trans-121.2146.9-173.8-63.80000111F8 I21 D23 V24 L39 I47F8-V45 HydrophobicContact CE1-CG2 3.67Å; F8-V45 HydrophobicContact CZ-CG2 3.92Å; I21-V45 HydrophobicContact CG2-CB 4.26Å; I21-V45 HydrophobicContact CG2-CG1 4.46Å; D23-V45 CarbonylContact O-C 3.6Å; D23-V45 VanDerWaalsContact O-CA 3.32Å; D23-V45 WeakPolarHBondContact O-CA 3.45Å; V24-V45 HydrophobicContact CG2-CG1 4.17Å; L39-V45 HydrophobicContact CD2-CG1 4.1Å; V45-I47 HydrophobicContact CG2-CG2 4.11Å
46Q92.6Very high91.1Very high67 Ų6768.5 Ų68.531%0.31334%0.338SS..EExtended strand (participates in β ladder)trans-89.9128.4167.6-170172.35.600109I22 D23 V25I22-Q46 HydrophobicContact CB-CB 4.46Å; I22-Q46 HydrophobicContact CB-CG 4.44Å; I22-Q46 HydrophobicContact CD1-CG 4.39Å; I22-Q46 PolarHBondContact N-O 2.98Å; D23-Q46 PolarHBondContact N-O 2.98Å; D23-Q46 PolarHBondContact O-N 3.2Å; V25-Q46 HydrophobicContact CG2-CB 3.91Å
47I92.4Very high90.7Very high55 Ų5566 Ų6628%0.28232%0.321SS..EExtended strand (participates in β ladder)trans-115.2155.2-177.558.6176.9000110.8F8 V45 G49 F52F8-I47 HydrophobicContact CB-CD1 4.15Å; F8-I47 HydrophobicContact CD1-CD1 4.36Å; F8-I47 HydrophobicContact CD1-CG2 3.85Å; F8-I47 HydrophobicContact CD2-CG2 3.87Å; F8-I47 HydrophobicContact CE1-CG2 3.6Å; F8-I47 HydrophobicContact CE2-CG2 3.59Å; F8-I47 HydrophobicContact CG-CD1 4.16Å; F8-I47 HydrophobicContact CG-CG2 3.97Å; F8-I47 HydrophobicContact CZ-CG2 3.46Å; F8-I47 VanDerWaalsContact CZ-CG2 3.46Å; V45-I47 HydrophobicContact CG2-CG2 4.11Å; I47-G49 PolarHBondContact O-N 2.75Å; I47-F52 HydrophobicContact CD1-CE2 3.91Å
48D91Very high90.5Very high58 Ų5862.1 Ų62.131%0.3131%0.312SS..  trans-67.7126.1168179.616.8000111K20 I22 A50K20-D48 HydrophobicContact CB-CB 4.39Å; K20-D48 PolarHBondContact O-N 3.06Å; I22-D48 HydrophobicContact CD1-CB 4.37Å; D48-A50 WeakPolarHBondContact OD1-CB 3.31Å; D48-A50 PolarHBondContact OD1-N 3.15Å
49G89Confident90.3Very high9 Ų961.6 Ų61.69%0.09331%0.305CS..  trans-84.8-11.3179.800000114.8I47 F52 R53I47-G49 PolarHBondContact O-N 2.75Å; G49-F52 PolarHBondContact O-N 3.07Å; G49-R53 PolarHBondContact O-N 3.12Å
50A87.3Confident90.1Very high26 Ų2658.3 Ų58.322%0.21529%0.287CS..Hα-helixtrans-57.5-44.3-174.100000114.2D48 F52 R53 Q54D48-A50 WeakPolarHBondContact OD1-CB 3.31Å; D48-A50 PolarHBondContact OD1-N 3.15Å; A50-F52 VanDerWaalsContact C-N 3.32Å; A50-F52 PolarHBondContact O-N 3.06Å; A50-R53 PolarHBondContact O-N 3.35Å; A50-Q54 WeakPolarHBondContact O-CG 3.37Å; A50-Q54 PolarHBondContact O-N 3.18Å
51P91Very high89.7Confident31 Ų3156.3 Ų56.320%0.20127%0.274CS..Hα-helixtrans-65.3-33.2-179.4-25.338.5000113.4R17 T19 W55R17-P51 HydrophobicContact CB-CB 4.37Å; T19-P51 HydrophobicContact CG2-CB 3.9Å; T19-P51 HydrophobicContact CG2-CG 3.73Å; P51-W55 PolarHBondContact O-N 2.82Å
52F90.4Very high89.1Confident9 Ų951.4 Ų51.44%0.03925%0.253CS..Hα-helixtrans-75.2-37.5176-65.6-69.4000111.8F8 W10 I15 R17 T19 I47 G49 A50 W55 F56 L118F8-F52 HydrophobicContact CB-CE2 4.29Å; F8-F52 HydrophobicContact CB-CZ 3.96Å; F8-F52 WeakPolarHBondContact O-CZ 3.42Å; W10-F52 HydrophobicContact CB-CD1 4.38Å; W10-F52 HydrophobicContact CB-CE1 4.26Å; W10-F52 HydrophobicContact CE3-CB 4.38Å; W10-F52 HydrophobicContact CE3-CD1 4.33Å; I15-F52 HydrophobicContact CD1-CD1 3.85Å; I15-F52 HydrophobicContact CD1-CE1 4.29Å; I15-F52 HydrophobicContact CG1-CD1 4.46Å; I15-F52 HydrophobicContact CG1-CE1 4.48Å; R17-F52 HydrophobicContact CB-CD1 4.33Å; R17-F52 HydrophobicContact CB-CE1 3.82Å; R17-F52 HydrophobicContact CB-CZ 4.04Å; R17-F52 HydrophobicContact CG-CD1 4.29Å; R17-F52 HydrophobicContact CG-CE1 4.1Å; T19-F52 HydrophobicContact CG2-CD2 3.93Å; T19-F52 HydrophobicContact CG2-CE2 3.37Å; T19-F52 HydrophobicContact CG2-CZ 4Å; I47-F52 HydrophobicContact CD1-CE2 3.91Å; G49-F52 PolarHBondContact O-N 3.07Å; A50-F52 VanDerWaalsContact C-N 3.32Å; A50-F52 PolarHBondContact O-N 3.06Å; F52-W55 PolarHBondContact O-N 3.2Å; F52-F56 WeakPolarHBondContact O-CB 3.5Å; F52-F56 PolarHBondContact O-N 3.07Å; F52-L118 HydrophobicContact CB-CD2 3.93Å
53R86.2Confident88.3Confident52 Ų5245 Ų4520%0.19623%0.232CC..Hα-helixtrans-63.6-49.2177.2-161.4-167.3-43.1140.58111.7G49 A50 W55 F56 E57 L64 L118G49-R53 PolarHBondContact O-N 3.12Å; A50-R53 PolarHBondContact O-N 3.35Å; R53-W55 VanDerWaalsContact C-N 3.29Å; R53-W55 PolarHBondContact O-N 3.39Å; R53-F56 PolarHBondContact O-N 3.41Å; R53-F56 VanDerWaalsContact O-N 3.12Å; R53-E57 WeakPolarHBondContact O-CG 3.38Å; R53-E57 PolarHBondContact O-N 3.43Å; R53-L64 HydrophobicContact CG-CB 4.34Å; R53-L118 VanDerWaalsContact CZ-O 3.31Å; R53-L118 PolarHBondContact NE-O 3Å; R53-L118 PolarHBondContact NH2-O 3.26Å
54Q85.8Confident87.3Confident130 Ų13044.4 Ų44.461%0.60723%0.227SC*.Hα-helixtrans-58.4-42.2177-73.6175.9-6.700111.8A50 A58A50-Q54 WeakPolarHBondContact O-CG 3.37Å; A50-Q54 PolarHBondContact O-N 3.18Å; Q54-A58 WeakPolarHBondContact O-CB 3.46Å; Q54-A58 PolarHBondContact O-N 3.09Å
55W90Very high85.7Confident37 Ų3740.6 Ų40.614%0.1421%0.211CC..Hα-helixtrans-63.3-44175.5179.183.2000112Q13 I15 P51 F52 R53 A58 H59 Y60Q13-W55 HydrophobicContact CB-CH2 4.19Å; Q13-W55 HydrophobicContact CB-CZ3 4.16Å; Q13-W55 HydrophobicContact CG-CZ3 4.28Å; I15-W55 HydrophobicContact CD1-CD2 3.53Å; I15-W55 HydrophobicContact CD1-CE3 3.42Å; I15-W55 VanDerWaalsContact CD1-CE3 3.42Å; I15-W55 HydrophobicContact CD1-CG 4.05Å; I15-W55 HydrophobicContact CD1-CH2 4.26Å; I15-W55 HydrophobicContact CD1-CZ2 4.37Å; I15-W55 HydrophobicContact CD1-CZ3 3.8Å; I15-W55 HydrophobicContact CG2-CD2 4.34Å; I15-W55 HydrophobicContact CG2-CH2 3.78Å; I15-W55 HydrophobicContact CG2-CZ2 3.39Å; I15-W55 HydrophobicContact CG2-CZ3 4.41Å; P51-W55 PolarHBondContact O-N 2.82Å; F52-W55 PolarHBondContact O-N 3.2Å; R53-W55 VanDerWaalsContact C-N 3.29Å; R53-W55 PolarHBondContact O-N 3.39Å; W55-A58 PolarHBondContact O-N 3.4Å; W55-H59 HydrophobicContact CD2-CB 4.21Å; W55-H59 AromaticContact CE2-ND1 3.94Å; W55-H59 HydrophobicContact CE3-CB 4.29Å; W55-H59 HydrophobicContact CH2-CB 4.06Å; W55-H59 AromaticContact CH2-CG 3.77Å; W55-H59 HydrophobicContact CZ2-CB 3.94Å; W55-H59 AromaticContact CZ2-CE1 3.94Å; W55-H59 AromaticContact CZ2-CG 3.57Å; W55-H59 AromaticContact CZ2-ND1 3.45Å; W55-H59 WeakPolarHBondContact CZ2-ND1 3.36Å; W55-H59 HydrophobicContact CZ3-CB 4.22Å; W55-H59 VanDerWaalsContact O-CB 3.24Å; W55-H59 WeakPolarHBondContact O-CB 3.39Å; W55-H59 PolarHBondContact O-N 3.33Å; W55-Y60 HydrophobicContact CH2-CE2 4.4Å; W55-Y60 HydrophobicContact CZ3-CE2 4.22Å
56F89.3Confident84.2Confident0 Ų041.9 Ų41.90%021%0.212CC..Hα-helixtrans-62.4-46.8-179.4-175.5-84.5000111.6W10 F52 R53 A58 H59 Y60 K62 L64 V110W10-F56 HydrophobicContact CH2-CD2 4.09Å; W10-F56 HydrophobicContact CZ3-CD2 4.31Å; F52-F56 WeakPolarHBondContact O-CB 3.5Å; F52-F56 PolarHBondContact O-N 3.07Å; R53-F56 PolarHBondContact O-N 3.41Å; R53-F56 VanDerWaalsContact O-N 3.12Å; F56-A58 VanDerWaalsContact C-N 3.29Å; F56-A58 PolarHBondContact O-N 2.74Å; F56-H59 PolarHBondContact O-N 3.22Å; F56-Y60 HydrophobicContact CD1-CD2 4.47Å; F56-Y60 AromaticContact CD2-CD2 3.57Å; F56-Y60 HydrophobicContact CD2-CD2 3.57Å; F56-Y60 AromaticContact CD2-CE2 3.9Å; F56-Y60 HydrophobicContact CD2-CE2 3.9Å; F56-Y60 HydrophobicContact CE1-CD2 4.34Å; F56-Y60 AromaticContact CE2-CD2 3.38Å; F56-Y60 HydrophobicContact CE2-CD2 3.38Å; F56-Y60 AromaticContact CE2-CE2 3.71Å; F56-Y60 HydrophobicContact CE2-CE2 3.71Å; F56-Y60 HydrophobicContact CE2-CG 4.26Å; F56-Y60 HydrophobicContact CG-CD2 4.13Å; F56-Y60 AromaticContact CZ-CD2 3.81Å; F56-Y60 HydrophobicContact CZ-CD2 3.81Å; F56-Y60 HydrophobicContact CZ-CE2 4.49Å; F56-Y60 HydrophobicContact CZ-CG 4.27Å; F56-Y60 PolarHBondContact O-N 3.31Å; F56-K62 HydrophobicContact CE1-CB 4.12Å; F56-K62 HydrophobicContact CE1-CG 4.47Å; F56-L64 HydrophobicContact CD1-CB 3.7Å; F56-L64 HydrophobicContact CD1-CD1 3.82Å; F56-L64 HydrophobicContact CD1-CD2 4.35Å; F56-L64 HydrophobicContact CD1-CG 4.16Å; F56-L64 HydrophobicContact CE1-CB 4.07Å; F56-L64 HydrophobicContact CE1-CD1 3.53Å; F56-L64 HydrophobicContact CE1-CG 4.32Å; F56-L64 HydrophobicContact CE2-CD1 4.35Å; F56-L64 HydrophobicContact CG-CB 4.44Å; F56-L64 HydrophobicContact CG-CD1 4.33Å; F56-L64 HydrophobicContact CG-CD2 4.34Å; F56-L64 HydrophobicContact CZ-CD1 3.82Å; F56-V110 HydrophobicContact CD2-CG2 3.98Å; F56-V110 HydrophobicContact CE2-CG2 3.3Å; F56-V110 HydrophobicContact CZ-CG2 3.68Å
57E85.4Confident82.2Confident21 Ų2147.1 Ų47.110%0.09823%0.228CC..Hα-helixtrans-59.8-40.5176.3-70.7-177.4-173.800111.1R53 L61 R66 L87R53-E57 WeakPolarHBondContact O-CG 3.38Å; R53-E57 PolarHBondContact O-N 3.43Å; E57-L61 WeakPolarHBondContact O-CA 3.26Å; E57-L61 PolarHBondContact O-N 3.23Å; E57-R66 IonicContact OE1-NE 3.93Å; E57-R66 IonicContact OE2-NE 3.96Å; E57-R66 IonicContact OE2-NH2 3.24Å; E57-R66 PolarHBondContact OE2-NH2 2.71Å; E57-L87 HydrophobicContact CB-CD1 4.24Å
58A86.9Confident79.8Confident38 Ų3853.9 Ų53.931%0.31426%0.256SS..Hα-helixtrans-70.9-34.817600000114Q54 W55 F56 V86Q54-A58 WeakPolarHBondContact O-CB 3.46Å; Q54-A58 PolarHBondContact O-N 3.09Å; W55-A58 PolarHBondContact O-N 3.4Å; F56-A58 VanDerWaalsContact C-N 3.29Å; F56-A58 PolarHBondContact O-N 2.74Å; A58-V86 HydrophobicContact CB-CG1 3.87Å
59H88.4Confident77.4Confident48 Ų4855.1 Ų55.122%0.22227%0.265CS..Hα-helixtrans-80.6-42.9-172.9-164.385.6000113.1W55 F56 Y99 R102W55-H59 HydrophobicContact CD2-CB 4.21Å; W55-H59 AromaticContact CE2-ND1 3.94Å; W55-H59 HydrophobicContact CE3-CB 4.29Å; W55-H59 HydrophobicContact CH2-CB 4.06Å; W55-H59 AromaticContact CH2-CG 3.77Å; W55-H59 HydrophobicContact CZ2-CB 3.94Å; W55-H59 AromaticContact CZ2-CE1 3.94Å; W55-H59 AromaticContact CZ2-CG 3.57Å; W55-H59 AromaticContact CZ2-ND1 3.45Å; W55-H59 WeakPolarHBondContact CZ2-ND1 3.36Å; W55-H59 HydrophobicContact CZ3-CB 4.22Å; W55-H59 VanDerWaalsContact O-CB 3.24Å; W55-H59 WeakPolarHBondContact O-CB 3.39Å; W55-H59 PolarHBondContact O-N 3.33Å; F56-H59 PolarHBondContact O-N 3.22Å; H59-Y99 WeakPolarHBondContact O-CD1 3.07Å; H59-Y99 WeakPolarHBondContact O-CE1 3.49Å; H59-R102 WeakPolarHBondContact O-CD 3.4Å; H59-R102 PolarHBondContact O-NH1 3.27Å; H59-R102 VanDerWaalsContact O-NH1 3.15Å
60Y86.9Confident74.7Confident5 Ų561.1 Ų61.12%0.0230%0.3CS..Hα-helixtrans-104.8-12.3-176.3-68.1-71.9000113.6Q13 W55 F56 K62 R102 Q103 A108Q13-Y60 PolarHBondContact OE1-OH 3.06Å; W55-Y60 HydrophobicContact CH2-CE2 4.4Å; W55-Y60 HydrophobicContact CZ3-CE2 4.22Å; F56-Y60 HydrophobicContact CD1-CD2 4.47Å; F56-Y60 AromaticContact CD2-CD2 3.57Å; F56-Y60 HydrophobicContact CD2-CD2 3.57Å; F56-Y60 AromaticContact CD2-CE2 3.9Å; F56-Y60 HydrophobicContact CD2-CE2 3.9Å; F56-Y60 HydrophobicContact CE1-CD2 4.34Å; F56-Y60 AromaticContact CE2-CD2 3.38Å; F56-Y60 HydrophobicContact CE2-CD2 3.38Å; F56-Y60 AromaticContact CE2-CE2 3.71Å; F56-Y60 HydrophobicContact CE2-CE2 3.71Å; F56-Y60 HydrophobicContact CE2-CG 4.26Å; F56-Y60 HydrophobicContact CG-CD2 4.13Å; F56-Y60 AromaticContact CZ-CD2 3.81Å; F56-Y60 HydrophobicContact CZ-CD2 3.81Å; F56-Y60 HydrophobicContact CZ-CE2 4.49Å; F56-Y60 HydrophobicContact CZ-CG 4.27Å; F56-Y60 PolarHBondContact O-N 3.31Å; Y60-K62 PolarHBondContact O-N 2.97Å; Y60-R102 HydrophobicContact CD1-CB 3.92Å; Y60-R102 HydrophobicContact CE1-CB 4.03Å; Y60-R102 WeakPolarHBondContact CE1-O 3.48Å; Y60-Q103 VanDerWaalsContact O-CG 3.29Å; Y60-Q103 WeakPolarHBondContact O-CG 3.39Å; Y60-Q103 PolarHBondContact O-NE2 3.26Å; Y60-A108 HydrophobicContact CD1-CB 3.56Å; Y60-A108 HydrophobicContact CE1-CB 3.68Å; Y60-A108 HydrophobicContact CG-CB 4.18Å
61L84.2Confident72Confident29 Ų2962.6 Ų62.615%0.15231%0.308CS..  trans5633.5-174.6-139.361.2000113E57 V86 L87 R91 Y99E57-L61 WeakPolarHBondContact O-CA 3.26Å; E57-L61 PolarHBondContact O-N 3.23Å; L61-V86 HydrophobicContact CD1-CG1 4.32Å; L61-V86 WeakPolarHBondContact CD1-O 3.3Å; L61-L87 HydrophobicContact CD1-CD1 4.47Å; L61-L87 HydrophobicContact CG-CG 4.45Å; L61-R91 VanDerWaalsContact CD1-CZ 3.4Å; L61-R91 VanDerWaalsContact CD2-NH1 3.34Å; L61-Y99 HydrophobicContact CB-CD1 4.09Å; L61-Y99 HydrophobicContact CB-CG 4.19Å; L61-Y99 HydrophobicContact CD2-CD2 4.14Å; L61-Y99 HydrophobicContact CD2-CG 4.26Å
62K80.5Confident69.2Low83 Ų8371.4 Ų71.436%0.36134%0.344SS..  trans-123.3129.3-177.4-174.7174.5-179.7-177.70108F56 Y60 L64 A108F56-K62 HydrophobicContact CE1-CB 4.12Å; F56-K62 HydrophobicContact CE1-CG 4.47Å; Y60-K62 PolarHBondContact O-N 2.97Å; K62-L64 PolarHBondContact O-N 3.24Å; K62-A108 PolarHBondContact NZ-O 2.86Å
63E75Confident66.3Low93 Ų9379.6 Ų79.644%0.43538%0.379SS..  trans-67.3119.7177.4-58.6-169.6167.800109.7G65 L87E63-G65 PolarHBondContact O-N 3.31Å; E63-L87 HydrophobicContact CG-CD1 4.4Å; E63-L87 HydrophobicContact CG-CD2 3.28Å; E63-L87 HydrophobicContact CG-CG 4.46Å
64L72.8Confident63.6Low7 Ų780.9 Ų80.94%0.03741%0.409CS..  trans-8969.6174.2-159.377.1000109.4R53 F56 K62 V110 K115 L118R53-L64 HydrophobicContact CG-CB 4.34Å; F56-L64 HydrophobicContact CD1-CB 3.7Å; F56-L64 HydrophobicContact CD1-CD1 3.82Å; F56-L64 HydrophobicContact CD1-CD2 4.35Å; F56-L64 HydrophobicContact CD1-CG 4.16Å; F56-L64 HydrophobicContact CE1-CB 4.07Å; F56-L64 HydrophobicContact CE1-CD1 3.53Å; F56-L64 HydrophobicContact CE1-CG 4.32Å; F56-L64 HydrophobicContact CE2-CD1 4.35Å; F56-L64 HydrophobicContact CG-CB 4.44Å; F56-L64 HydrophobicContact CG-CD1 4.33Å; F56-L64 HydrophobicContact CG-CD2 4.34Å; F56-L64 HydrophobicContact CZ-CD1 3.82Å; K62-L64 PolarHBondContact O-N 3.24Å; L64-V110 HydrophobicContact CD1-CB 3.88Å; L64-V110 HydrophobicContact CD1-CG1 4.45Å; L64-V110 HydrophobicContact CD1-CG2 3.67Å; L64-K115 HydrophobicContact CD1-CG 4.4Å; L64-K115 HydrophobicContact CG-CG 4.28Å; L64-L118 HydrophobicContact CD2-CB 4.07Å; L64-L118 HydrophobicContact CD2-CD1 3.37Å; L64-L118 HydrophobicContact CD2-CG 4.35Å
65G61.9Low61Low15 Ų1580.2 Ų80.216%0.15541%0.405CS..  trans52.284.6-178.500000111.3E63 L119E63-G65 PolarHBondContact O-N 3.31Å; G65-L119 WeakPolarHBondContact O-CD1 3.41Å; G65-L119 WeakPolarHBondContact O-CD2 3.48Å; G65-L119 WeakPolarHBondContact O-CG 3.29Å
66R60.5Low58.1Low67 Ų6781.4 Ų81.425%0.25342%0.417SS..  trans-66.9137.5155.1-72.5175.6179.7-167.4-3.7106.5E57 K68 D85E57-R66 IonicContact OE1-NE 3.93Å; E57-R66 IonicContact OE2-NE 3.96Å; E57-R66 IonicContact OE2-NH2 3.24Å; E57-R66 PolarHBondContact OE2-NH2 2.71Å; R66-K68 PolarHBondContact O-N 3.12Å; R66-D85 IonicContact CZ-OD1 3.44Å; R66-D85 IonicContact CZ-OD2 3.65Å; R66-D85 IonicContact NH1-OD1 3.61Å; R66-D85 IonicContact NH1-OD2 2.7Å; R66-D85 PolarHBondContact NH1-OD2 2.81Å; R66-D85 IonicContact NH2-OD1 2.71Å; R66-D85 PolarHBondContact NH2-OD1 2.88Å; R66-D85 IonicContact NH2-OD2 3.31Å; R66-D85 PolarHBondContact NH2-OD2 2.96Å
67R50.6Low55.6Low176 Ų17683.3 Ų83.366%0.66443%0.428SS*.  trans-46.1118.3177.1-140.4-179.7-166.8172.24.7106.3V69R67-V69 PolarHBondContact O-N 2.96Å
68K43.9Very low53.1Low198 Ų19888.5 Ų88.586%0.86146%0.461SS*.  trans-63.881.2171.5-88.6-175175.9179.90106.6R66 V70R66-K68 PolarHBondContact O-N 3.12Å; K68-V70 PolarHBondContact O-N 3.36Å
69V38.8Very low50.9Low84 Ų8493.6 Ų93.651%0.50948%0.479SS..  trans-70.5109.8154.4-174.20000103.1R67 S71 T76R67-V69 PolarHBondContact O-N 2.96Å; V69-S71 PolarHBondContact O-N 3.23Å; V69-T76 HydrophobicContact CB-CG2 4.44Å
70V33.6Very low48.6Very low135 Ų13599.8 Ų99.882%0.81851%0.508SS*.  trans-67.280.9173.7-1790000106.7K68K68-V70 PolarHBondContact O-N 3.36Å
71S30.6Very low46.2Very low56 Ų56103.5 Ų103.539%0.39253%0.528SS..  trans-95.8119.6169.1-60.50000106.8V69 K73 T76V69-S71 PolarHBondContact O-N 3.23Å; S71-K73 PolarHBondContact O-N 3Å; S71-T76 PolarHBondContact OG-OG1 3.42Å
72K32Very low44.5Very low217 Ų217106.2 Ų106.294%0.94355%0.547SS*.SBendtrans-61.210.9-174.5-117.4172.9-179173.10115.8
73K28.1Very low42.9Very low181 Ų181109.7 Ų109.779%0.78757%0.565SS**SBendtrans-145.4124.3174.2-73.8-178.4178.2175.80106.8S71S71-K73 PolarHBondContact O-N 3Å
74G29.5Very low41.8Very low79 Ų79111.9 Ų111.981%0.81458%0.575SS**SBendtrans-48.9145.7-174.700000112.4
75H31.6Very low41.2Very low116 Ų116112.4 Ų112.454%0.53758%0.578SS.*  trans8891.6180-142.763.4000114.7V77 L88H75-V77 VanDerWaalsContact CE1-CG2 3.42Å; H75-V77 WeakPolarHBondContact CE1-CG2 3.26Å; H75-V77 WeakPolarHBondContact NE2-CG2 3.38Å; H75-L88 WeakPolarHBondContact CE1-CD1 3.44Å; H75-L88 WeakPolarHBondContact NE2-CD1 3.03Å
76T30.1Very low41.4Very low62 Ų62114.2 Ų114.238%0.3859%0.586SS.*  trans-113.788164.3-24.50000107.5V69 S71V69-T76 HydrophobicContact CB-CG2 4.44Å; S71-T76 PolarHBondContact OG-OG1 3.42Å
77V36Very low41.8Very low40 Ų40113.1 Ų113.124%0.24259%0.585CS.*  trans-99.1101.1163.6177.80000105.6H75 Q79 D85H75-V77 VanDerWaalsContact CE1-CG2 3.42Å; H75-V77 WeakPolarHBondContact CE1-CG2 3.26Å; H75-V77 WeakPolarHBondContact NE2-CG2 3.38Å; V77-Q79 HydrophobicContact CG1-CB 4.36Å; V77-Q79 PolarHBondContact O-N 3.05Å; V77-D85 VanDerWaalsContact CG2-OD2 3.3Å; V77-D85 WeakPolarHBondContact CG2-OD2 2.79Å
78T33.7Very low42.6Very low129 Ų129108.7 Ų108.779%0.79157%0.574SS**  trans-86.478.5161.4-48.70000106.2
79Q41.1Very low44Very low145 Ų145105.2 Ų105.268%0.67856%0.559SS**SBendtrans-164.1137.9158.9-108.5169.524.400108.7V77 N81V77-Q79 HydrophobicContact CG1-CB 4.36Å; V77-Q79 PolarHBondContact O-N 3.05Å; Q79-N81 PolarHBondContact O-N 3.26Å
80E38.3Very low45.7Very low178 Ų178111.3 Ų111.383%0.83258%0.578SS**SBendtrans-65.815.3-157.953.6-128109.400118.4
81N36.8Very low47.9Very low84 Ų84108 Ų10845%0.44955%0.551SS.*  trans-154.2108172-102.2-61000112.2Q79 E83 E84Q79-N81 PolarHBondContact O-N 3.26Å; N81-E83 PolarHBondContact O-N 2.93Å; N81-E83 VanDerWaalsContact O-N 3.14Å; N81-E84 HydrophobicContact CB-CB 4.24Å; N81-E84 HydrophobicContact CB-CG 4.05Å; N81-E84 PolarHBondContact O-N 3.02Å
82P48.8Very low50.6Low85 Ų85108.5 Ų108.555%0.55256%0.555SS**THydrogen-bonded Turntrans-61.6-22179.4-20.431.1000113.9
83E47.2Very low53.2Low156 Ų156107.3 Ų107.373%0.72955%0.549SS*.THydrogen-bonded Turntrans-86.8-20.5-174.2-48.5-164.6-177.700113.3N81N81-E83 PolarHBondContact O-N 2.93Å; N81-E83 VanDerWaalsContact O-N 3.14Å
84E51.5Low56.1Low139 Ų139103 Ų10365%0.6554%0.542SS*.THydrogen-bonded Turntrans-89.7-13.6178.6-65.9-164.1149.700112.8N81 V86N81-E84 HydrophobicContact CB-CB 4.24Å; N81-E84 HydrophobicContact CB-CG 4.05Å; N81-E84 PolarHBondContact O-N 3.02Å; E84-V86 PolarHBondContact O-N 3.32Å
85D60.8Low58.8Low19 Ų19100.3 Ų100.310%0.10251%0.512CS..  trans-62115.4-179.3-156.8-10.5000109.2R66 V77 L87 L88 K89R66-D85 IonicContact CZ-OD1 3.44Å; R66-D85 IonicContact CZ-OD2 3.65Å; R66-D85 IonicContact NH1-OD1 3.61Å; R66-D85 IonicContact NH1-OD2 2.7Å; R66-D85 PolarHBondContact NH1-OD2 2.81Å; R66-D85 IonicContact NH2-OD1 2.71Å; R66-D85 PolarHBondContact NH2-OD1 2.88Å; R66-D85 IonicContact NH2-OD2 3.31Å; R66-D85 PolarHBondContact NH2-OD2 2.96Å; V77-D85 VanDerWaalsContact CG2-OD2 3.3Å; V77-D85 WeakPolarHBondContact CG2-OD2 2.79Å; D85-L87 PolarHBondContact O-N 3.34Å; D85-L88 HydrophobicContact CB-CB 4.45Å; D85-L88 HydrophobicContact CB-CD1 3.76Å; D85-L88 PolarHBondContact O-N 3.22Å; D85-K89 PolarHBondContact O-N 3.42Å
86V66.3Low61.4Low53 Ų5398.5 Ų98.532%0.32151%0.506SS..THydrogen-bonded Turntrans-56.6-28-166179.30000111.1A58 L61 E84 R91A58-V86 HydrophobicContact CB-CG1 3.87Å; L61-V86 HydrophobicContact CD1-CG1 4.32Å; L61-V86 WeakPolarHBondContact CD1-O 3.3Å; E84-V86 PolarHBondContact O-N 3.32Å; V86-R91 PolarHBondContact O-NH2 2.88Å
87L68Low64.2Low44 Ų44102.5 Ų102.523%0.2352%0.518CS..THydrogen-bonded Turntrans-72.3-36.3176.8-109.183.5000115E57 L61 E63 D85E57-L87 HydrophobicContact CB-CD1 4.24Å; L61-L87 HydrophobicContact CD1-CD1 4.47Å; L61-L87 HydrophobicContact CG-CG 4.45Å; E63-L87 HydrophobicContact CG-CD1 4.4Å; E63-L87 HydrophobicContact CG-CD2 3.28Å; E63-L87 HydrophobicContact CG-CG 4.46Å; D85-L87 PolarHBondContact O-N 3.34Å
88L68.2Low66.7Low83 Ų83106.5 Ų106.544%0.43553%0.532SS..THydrogen-bonded Turntrans-86.8-15.3-172.1-78.6150000113.2H75 D85 K90H75-L88 WeakPolarHBondContact CE1-CD1 3.44Å; H75-L88 WeakPolarHBondContact NE2-CD1 3.03Å; D85-L88 HydrophobicContact CB-CB 4.45Å; D85-L88 HydrophobicContact CB-CD1 3.76Å; D85-L88 PolarHBondContact O-N 3.22Å; L88-K90 PolarHBondContact O-N 2.83Å; L88-K90 VanDerWaalsContact O-N 3.07Å
89K73.9Confident69.3Low124 Ų124102.4 Ų102.454%0.53950%0.503SS..  trans-60.6115-178.1-131.5164.8-170.51640110.4D85 R91D85-K89 PolarHBondContact O-N 3.42Å; K89-R91 WeakPolarHBondContact O-CG 3.25Å; K89-R91 PolarHBondContact O-N 2.76Å
90K74.3Confident71.5Confident213 Ų213101 Ų10193%0.92650%0.496SS*.  trans-61.3129.9174.7-74.2-178.3-180175.10109.5L88L88-K90 PolarHBondContact O-N 2.83Å; L88-K90 VanDerWaalsContact O-N 3.07Å
91R79.5Confident74Confident64 Ų6497 Ų9724%0.24248%0.484CS..  trans-126.8161.1-176.1-69.7168.2-165.7-175.9-1.7110.7L61 V86 K89 A95 Y99L61-R91 VanDerWaalsContact CD1-CZ 3.4Å; L61-R91 VanDerWaalsContact CD2-NH1 3.34Å; V86-R91 PolarHBondContact O-NH2 2.88Å; K89-R91 WeakPolarHBondContact O-CG 3.25Å; K89-R91 PolarHBondContact O-N 2.76Å; R91-A95 HydrophobicContact CB-CB 3.97Å; R91-Y99 PolarHBondContact NH1-OH 2.94Å
92S87Confident76.5Confident67 Ų6795.8 Ų95.847%0.46947%0.473SS..  trans-62156.8175.666.60000111.7S94 A95 L96S92-S94 PolarHBondContact O-N 2.7Å; S92-S94 PolarHBondContact OG-OG 3.48Å; S92-S94 VanDerWaalsContact OG-OG 3.06Å; S92-A95 PolarHBondContact O-N 3.11Å; S92-A95 VanDerWaalsContact O-N 3.08Å; S92-A95 WeakPolarHBondContact OG-CB 3.45Å; S92-A95 PolarHBondContact OG-N 3.41Å; S92-L96 PolarHBondContact O-N 2.75Å; S92-L96 VanDerWaalsContact O-N 3.07Å
93K87.2Confident78.3Confident192 Ų19295.7 Ų95.784%0.83547%0.466SS*.Hα-helixtrans-55.8-37.4176.8-64.3-176.9-179.9179.50112.4K97K93-K97 PolarHBondContact O-N 3.39Å; K93-K97 VanDerWaalsContact O-N 3.13Å
94S88.3Confident80.3Confident90 Ų9092.3 Ų92.363%0.62946%0.464SS*.Hα-helixtrans-67.9-38.5177.554.30000112.8S92 K98S92-S94 PolarHBondContact O-N 2.7Å; S92-S94 PolarHBondContact OG-OG 3.48Å; S92-S94 VanDerWaalsContact OG-OG 3.06Å; S94-K98 PolarHBondContact O-N 2.7Å
95A85.8Confident82Confident23 Ų2390 Ų9019%0.1946%0.456CS..Hα-helixtrans-66.5-43.6176.200000111.3R91 S92 K97 K98 Y99R91-A95 HydrophobicContact CB-CB 3.97Å; S92-A95 PolarHBondContact O-N 3.11Å; S92-A95 VanDerWaalsContact O-N 3.08Å; S92-A95 WeakPolarHBondContact OG-CB 3.45Å; S92-A95 PolarHBondContact OG-N 3.41Å; A95-K97 PolarHBondContact O-N 2.84Å; A95-K98 WeakPolarHBondContact O-CB 3.45Å; A95-K98 PolarHBondContact O-N 2.98Å; A95-Y99 HydrophobicContact CB-CE2 4.35Å; A95-Y99 WeakPolarHBondContact O-CD2 3.32Å; A95-Y99 WeakPolarHBondContact O-CE2 3.32Å; A95-Y99 PolarHBondContact O-N 3.25Å; A95-Y99 VanDerWaalsContact O-N 3.17Å
96L85.8Confident83.1Confident78 Ų7894.5 Ų94.541%0.40849%0.486SS..Hα-helixtrans-57.1-49174.9-85.4146000112.1S92 K98 Y99 E100S92-L96 PolarHBondContact O-N 2.75Å; S92-L96 VanDerWaalsContact O-N 3.07Å; L96-K98 PolarHBondContact O-N 3.22Å; L96-Y99 PolarHBondContact O-N 3.43Å; L96-E100 PolarHBondContact O-N 2.99Å
97K88.8Confident83.9Confident147 Ų14796.6 Ų96.664%0.63949%0.492SS*.Hα-helixtrans-57.4-35.1177.3-168168.8-176175.20112.9K93 A95 T101K93-K97 PolarHBondContact O-N 3.39Å; K93-K97 VanDerWaalsContact O-N 3.13Å; A95-K97 PolarHBondContact O-N 2.84Å; K97-T101 PolarHBondContact O-N 3.35Å; K97-T101 PolarHBondContact O-OG1 2.99Å
98K90.3Very high84.5Confident123 Ų12394.5 Ų94.554%0.53548%0.482SS..Hα-helixtrans-66.3-40.5174.6-175.7176179.5175.20112.2S94 A95 L96 R102S94-K98 PolarHBondContact O-N 2.7Å; A95-K98 WeakPolarHBondContact O-CB 3.45Å; A95-K98 PolarHBondContact O-N 2.98Å; L96-K98 PolarHBondContact O-N 3.22Å; K98-R102 WeakPolarHBondContact O-CG 3.29Å; K98-R102 PolarHBondContact O-N 3.14Å; K98-R102 VanDerWaalsContact O-N 3.17Å
99Y87.8Confident85.3Confident43 Ų4396.2 Ų96.217%0.16949%0.491CS..Hα-helixtrans-69.3-41.7175.7-66.8-68.8000111.9H59 L61 R91 A95 L96 T101 R102 Q103H59-Y99 WeakPolarHBondContact O-CD1 3.07Å; H59-Y99 WeakPolarHBondContact O-CE1 3.49Å; L61-Y99 HydrophobicContact CB-CD1 4.09Å; L61-Y99 HydrophobicContact CB-CG 4.19Å; L61-Y99 HydrophobicContact CD2-CD2 4.14Å; L61-Y99 HydrophobicContact CD2-CG 4.26Å; R91-Y99 PolarHBondContact NH1-OH 2.94Å; A95-Y99 HydrophobicContact CB-CE2 4.35Å; A95-Y99 WeakPolarHBondContact O-CD2 3.32Å; A95-Y99 WeakPolarHBondContact O-CE2 3.32Å; A95-Y99 PolarHBondContact O-N 3.25Å; A95-Y99 VanDerWaalsContact O-N 3.17Å; L96-Y99 PolarHBondContact O-N 3.43Å; Y99-T101 VanDerWaalsContact C-N 3.29Å; Y99-T101 PolarHBondContact O-N 3.33Å; Y99-R102 CarbonylContact O-C 3.55Å; Y99-R102 WeakPolarHBondContact O-CB 3.4Å; Y99-R102 PolarHBondContact O-N 3.38Å; Y99-R102 VanDerWaalsContact O-N 3.07Å; Y99-Q103 VanDerWaalsContact O-CG 3.3Å; Y99-Q103 WeakPolarHBondContact O-CG 3.18Å; Y99-Q103 PolarHBondContact O-N 3.41Å
100E87.6Confident85.8Confident116 Ų11691 Ų9154%0.54247%0.469SS..Hα-helixtrans-57.1-44.9174.9-70.7172.7172.100111.4L96 R102 Q103 A104L96-E100 PolarHBondContact O-N 2.99Å; E100-R102 VanDerWaalsContact C-N 3.28Å; E100-R102 PolarHBondContact O-N 2.97Å; E100-Q103 PolarHBondContact O-N 2.95Å; E100-A104 PolarHBondContact O-N 2.89Å
101T91Very high86.2Confident94 Ų9487.5 Ų87.558%0.57746%0.456SS*.Hα-helixtrans-62.1-37.4177.4-50.40000111.4K97 Y99K97-T101 PolarHBondContact O-N 3.35Å; K97-T101 PolarHBondContact O-OG1 2.99Å; Y99-T101 VanDerWaalsContact C-N 3.29Å; Y99-T101 PolarHBondContact O-N 3.33Å
102R89Confident86.4Confident58 Ų5889.7 Ų89.722%0.21947%0.47CS..Hα-helixtrans-71.9-37.2175.4-72.1174.5178.2-175.9-6.5112.8H59 Y60 K98 Y99 E100 A104 L105H59-R102 WeakPolarHBondContact O-CD 3.4Å; H59-R102 PolarHBondContact O-NH1 3.27Å; H59-R102 VanDerWaalsContact O-NH1 3.15Å; Y60-R102 HydrophobicContact CD1-CB 3.92Å; Y60-R102 HydrophobicContact CE1-CB 4.03Å; Y60-R102 WeakPolarHBondContact CE1-O 3.48Å; K98-R102 WeakPolarHBondContact O-CG 3.29Å; K98-R102 PolarHBondContact O-N 3.14Å; K98-R102 VanDerWaalsContact O-N 3.17Å; Y99-R102 CarbonylContact O-C 3.55Å; Y99-R102 WeakPolarHBondContact O-CB 3.4Å; Y99-R102 PolarHBondContact O-N 3.38Å; Y99-R102 VanDerWaalsContact O-N 3.07Å; E100-R102 VanDerWaalsContact C-N 3.28Å; E100-R102 PolarHBondContact O-N 2.97Å; R102-A104 PolarHBondContact O-N 3.42Å; R102-L105 VanDerWaalsContact O-CB 3.32Å; R102-L105 WeakPolarHBondContact O-CB 3.43Å; R102-L105 PolarHBondContact O-N 3.4Å; R102-L105 VanDerWaalsContact O-N 3.11Å
103Q86.4Confident86.3Confident84 Ų8490.2 Ų90.239%0.39347%0.471SS..Hα-helixtrans-66.8-27.5178.4-73.5175.714.100112.3Y60 Y99 E100 L105Y60-Q103 VanDerWaalsContact O-CG 3.29Å; Y60-Q103 WeakPolarHBondContact O-CG 3.39Å; Y60-Q103 PolarHBondContact O-NE2 3.26Å; Y99-Q103 VanDerWaalsContact O-CG 3.3Å; Y99-Q103 WeakPolarHBondContact O-CG 3.18Å; Y99-Q103 PolarHBondContact O-N 3.41Å; E100-Q103 PolarHBondContact O-N 2.95Å; Q103-L105 PolarHBondContact O-N 3.29Å
104A87.9Confident86.3Confident85 Ų8584.1 Ų84.170%0.70245%0.447SS*.THydrogen-bonded Turntrans-71.9-15.9173.200000113.4E100 R102E100-A104 PolarHBondContact O-N 2.89Å; R102-A104 PolarHBondContact O-N 3.42Å
105L87.1Confident86Confident91 Ų9182.8 Ų82.848%0.47643%0.43SS..SBendtrans-70.4140.4176.8-63.4172.4000110.2R102 Q103 Q107 A108R102-L105 VanDerWaalsContact O-CB 3.32Å; R102-L105 WeakPolarHBondContact O-CB 3.43Å; R102-L105 PolarHBondContact O-N 3.4Å; R102-L105 VanDerWaalsContact O-N 3.11Å; Q103-L105 PolarHBondContact O-N 3.29Å; L105-Q107 PolarHBondContact O-N 2.87Å; L105-A108 VanDerWaalsContact O-CB 3.31Å; L105-A108 WeakPolarHBondContact O-CB 3.37Å; L105-A108 PolarHBondContact O-N 2.86Å
106P83.9Confident85.9Confident112 Ų11288.1 Ų88.173%0.72745%0.449SS*.G310 helixtrans-54.4-32.8177.2-24.932.4000112.9A108 N109P106-A108 PolarHBondContact O-N 3.24Å; P106-N109 WeakPolarHBondContact O-CB 3.31Å; P106-N109 PolarHBondContact O-N 2.8Å
107Q83Confident85.8Confident97 Ų9790.3 Ų90.345%0.45346%0.457SS..G310 helixtrans-67.1-16.8179.9-58.1-163.6-300114.1S12 Q13 L105 N109S12-Q107 PolarHBondContact O-NE2 3.36Å; S12-Q107 PolarHBondContact O-OE1 3.06Å; Q13-Q107 PolarHBondContact NE2-O 3.49Å; L105-Q107 PolarHBondContact O-N 2.87Å; Q107-N109 PolarHBondContact O-N 2.99Å
108A82.1Confident85.5Confident1 Ų184 Ų841%0.00843%0.43CS..G310 helixtrans-74.7-9.2171.300000112.6Y60 K62 L105 P106Y60-A108 HydrophobicContact CD1-CB 3.56Å; Y60-A108 HydrophobicContact CE1-CB 3.68Å; Y60-A108 HydrophobicContact CG-CB 4.18Å; K62-A108 PolarHBondContact NZ-O 2.86Å; L105-A108 VanDerWaalsContact O-CB 3.31Å; L105-A108 WeakPolarHBondContact O-CB 3.37Å; L105-A108 PolarHBondContact O-N 2.86Å; P106-A108 PolarHBondContact O-N 3.24Å
109N84.1Confident84.7Confident119 Ų11980.4 Ų80.464%0.63642%0.417SS*.SBendtrans-99.5105.9168.3-163.631.4000109.5P106 Q107P106-N109 WeakPolarHBondContact O-CB 3.31Å; P106-N109 PolarHBondContact O-N 2.8Å; Q107-N109 PolarHBondContact O-N 2.99Å
110V84Confident83.6Confident13 Ų1384 Ų848%0.07944%0.435CS..  trans-85.3133.8178.2-179.20000108.7W10 F56 L64 E112 L114W10-V110 HydrophobicContact CH2-CG1 4.15Å; W10-V110 HydrophobicContact CH2-CG2 3.78Å; W10-V110 HydrophobicContact CZ2-CG1 4.03Å; W10-V110 HydrophobicContact CZ2-CG2 4.04Å; F56-V110 HydrophobicContact CD2-CG2 3.98Å; F56-V110 HydrophobicContact CE2-CG2 3.3Å; F56-V110 HydrophobicContact CZ-CG2 3.68Å; L64-V110 HydrophobicContact CD1-CB 3.88Å; L64-V110 HydrophobicContact CD1-CG1 4.45Å; L64-V110 HydrophobicContact CD1-CG2 3.67Å; V110-E112 PolarHBondContact O-N 2.97Å; V110-L114 HydrophobicContact CG1-CB 3.9Å; V110-L114 HydrophobicContact CG1-CD2 3.84Å; V110-L114 HydrophobicContact CG1-CG 3.89Å
111E84.3Confident81.9Confident140 Ų14081.8 Ų81.865%0.65443%0.429SS*.  trans-49.2133173.8-63.9-61.4154.200111.5P113 L114 K115E111-P113 VanDerWaalsContact C-CD 3.46Å; E111-P113 HydrophobicContact CB-CG 4.24Å; E111-L114 HydrophobicContact CB-CB 4.47Å; E111-L114 PolarHBondContact O-N 3.44Å; E111-K115 PolarHBondContact O-N 3.12Å
112E83.6Confident79.6Confident111 Ų11182.4 Ų82.452%0.51943%0.433SS..Hα-helixtrans-52.2-42.2-178.1-164.561.3-151.600114.2V110 L114 K115 K116V110-E112 PolarHBondContact O-N 2.97Å; E112-L114 VanDerWaalsContact C-N 3.33Å; E112-L114 PolarHBondContact O-N 2.92Å; E112-K115 WeakPolarHBondContact O-CB 3.23Å; E112-K115 PolarHBondContact O-N 2.77Å; E112-K116 PolarHBondContact O-N 3.23Å
113P85.2Confident76.8Confident78 Ų7887.3 Ų87.351%0.50647%0.474SS..Hα-helixtrans-61.4-40.617521.3-32.8000112.4E111 K115 K116 H117E111-P113 VanDerWaalsContact C-CD 3.46Å; E111-P113 HydrophobicContact CB-CG 4.24Å; P113-K115 VanDerWaalsContact C-N 3.34Å; P113-K116 PolarHBondContact O-N 2.94Å; P113-H117 PolarHBondContact O-N 3.3Å; P113-H117 PolarHBondContact O-ND1 3.05Å
114L85.6Confident76.3Confident63 Ų6387.5 Ų87.533%0.3348%0.478SS..Hα-helixtrans-68.8-38179.3-177.257.6000111.1W10 V110 E111 E112 K116 H117 L118W10-L114 HydrophobicContact CH2-CD2 4.23Å; W10-L114 HydrophobicContact CZ2-CD2 3.4Å; W10-L114 VanDerWaalsContact CZ2-CD2 3.4Å; W10-L114 HydrophobicContact CZ2-CG 4.46Å; V110-L114 HydrophobicContact CG1-CB 3.9Å; V110-L114 HydrophobicContact CG1-CD2 3.84Å; V110-L114 HydrophobicContact CG1-CG 3.89Å; E111-L114 HydrophobicContact CB-CB 4.47Å; E111-L114 PolarHBondContact O-N 3.44Å; E112-L114 VanDerWaalsContact C-N 3.33Å; E112-L114 PolarHBondContact O-N 2.92Å; L114-K116 VanDerWaalsContact C-N 3.32Å; L114-K116 PolarHBondContact O-N 2.84Å; L114-H117 PolarHBondContact O-N 3.48Å; L114-L118 HydrophobicContact CD1-CD1 4.28Å; L114-L118 HydrophobicContact CD1-CG 4.29Å; L114-L118 HydrophobicContact CG-CD1 3.97Å; L114-L118 HydrophobicContact CG-CG 4.43Å; L114-L118 WeakPolarHBondContact O-CG 3.4Å; L114-L118 PolarHBondContact O-N 3.17Å
115K83.6Confident75.7Confident62 Ų6287.6 Ų87.627%0.2747%0.466SS..Hα-helixtrans-56.9-45.2173.6-170.7179.2178.5-174.10111.5L64 E111 E112 P113 L118 L119L64-K115 HydrophobicContact CD1-CG 4.4Å; L64-K115 HydrophobicContact CG-CG 4.28Å; E111-K115 PolarHBondContact O-N 3.12Å; E112-K115 WeakPolarHBondContact O-CB 3.23Å; E112-K115 PolarHBondContact O-N 2.77Å; P113-K115 VanDerWaalsContact C-N 3.34Å; K115-L118 PolarHBondContact O-N 2.95Å; K115-L119 VanDerWaalsContact O-CB 3.31Å; K115-L119 WeakPolarHBondContact O-CB 3.03Å; K115-L119 PolarHBondContact O-N 3.11Å; K115-L119 VanDerWaalsContact O-N 3.09Å
116K83.1Confident75.1Confident136 Ų13687.4 Ų87.459%0.59147%0.466SS*.Hα-helixtrans-59.4-45.6175.8-76.8-176.8178.9178.40112.7E112 P113 L114 L119 Q120E112-K116 PolarHBondContact O-N 3.23Å; P113-K116 PolarHBondContact O-N 2.94Å; L114-K116 VanDerWaalsContact C-N 3.32Å; L114-K116 PolarHBondContact O-N 2.84Å; K116-L119 WeakPolarHBondContact O-CB 3.4Å; K116-L119 PolarHBondContact O-N 2.81Å; K116-Q120 PolarHBondContact O-N 2.78Å; K116-Q120 VanDerWaalsContact O-N 3.11Å
117H83.1Confident74.5Confident124 Ų12486 Ų8657%0.57445%0.451SS*.Hα-helixtrans-66.3-38.6180-70.687.1000112.4P113 L114 L119 Q120P113-H117 PolarHBondContact O-N 3.3Å; P113-H117 PolarHBondContact O-ND1 3.05Å; L114-H117 PolarHBondContact O-N 3.48Å; H117-L119 PolarHBondContact O-N 2.95Å; H117-Q120 PolarHBondContact O-N 3.09Å
118L81.7Confident74Confident13 Ų1385.3 Ų85.37%0.06845%0.45CS..Hα-helixtrans-68.7-24.8176.1-70.5170.7000112.9W10 F52 R53 L64 L114 K115W10-L118 HydrophobicContact CH2-CD1 4.06Å; W10-L118 HydrophobicContact CZ3-CD1 4.16Å; F52-L118 HydrophobicContact CB-CD2 3.93Å; R53-L118 VanDerWaalsContact CZ-O 3.31Å; R53-L118 PolarHBondContact NE-O 3Å; R53-L118 PolarHBondContact NH2-O 3.26Å; L64-L118 HydrophobicContact CD2-CB 4.07Å; L64-L118 HydrophobicContact CD2-CD1 3.37Å; L64-L118 HydrophobicContact CD2-CG 4.35Å; L114-L118 HydrophobicContact CD1-CD1 4.28Å; L114-L118 HydrophobicContact CD1-CG 4.29Å; L114-L118 HydrophobicContact CG-CD1 3.97Å; L114-L118 HydrophobicContact CG-CG 4.43Å; L114-L118 WeakPolarHBondContact O-CG 3.4Å; L114-L118 PolarHBondContact O-N 3.17Å; K115-L118 PolarHBondContact O-N 2.95Å
119L73.7Confident73.5Confident49 Ų4990.9 Ų90.926%0.25748%0.48SS..Hα-helixtrans-83.7-22.9178.8-113.5169.8000114.1G65 K115 K116 H117 V121G65-L119 WeakPolarHBondContact O-CD1 3.41Å; G65-L119 WeakPolarHBondContact O-CD2 3.48Å; G65-L119 WeakPolarHBondContact O-CG 3.29Å; K115-L119 VanDerWaalsContact O-CB 3.31Å; K115-L119 WeakPolarHBondContact O-CB 3.03Å; K115-L119 PolarHBondContact O-N 3.11Å; K115-L119 VanDerWaalsContact O-N 3.09Å; K116-L119 WeakPolarHBondContact O-CB 3.4Å; K116-L119 PolarHBondContact O-N 2.81Å; H117-L119 PolarHBondContact O-N 2.95Å; L119-V121 PolarHBondContact O-N 3.37Å
120Q65.2Low72.7Confident117 Ų11788.9 Ų88.955%0.54747%0.469SS..  trans-73.777.3-173.5-163.2170.9-10.600110.1K116 H117 V122K116-Q120 PolarHBondContact O-N 2.78Å; K116-Q120 VanDerWaalsContact O-N 3.11Å; H117-Q120 PolarHBondContact O-N 3.09Å; Q120-V122 PolarHBondContact O-N 2.93Å
121V53.1Low71.8Confident71 Ų7194.8 Ų94.843%0.4350%0.499SS..  trans-72.5106.4160-179.70000105.3L119 C123L119-V121 PolarHBondContact O-N 3.37Å; V121-C123 VanDerWaalsContact C-N 3.29Å; V121-C123 PolarHBondContact O-N 3.33Å
122V41.9Very low70.8Confident106 Ų10691 Ų9164%0.64249%0.486SS*.  trans-64.796.4167.7-177.70000106.2Q120Q120-V122 PolarHBondContact O-N 2.93Å
123C29.9Very low69.6Low162 Ų16289.2 Ų89.2100%1.09548%0.483SS*.  trans-95.90154.9-82.80000107.4V121V121-C123 VanDerWaalsContact C-N 3.29Å; V121-C123 PolarHBondContact O-N 3.33Å

Retrieved 123 of 123 residues in 87.6 ms (Link to these results)

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