A0A5K4F346_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F346, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 103 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
1M42.4Very low42.9Very low233 Ų233144.3 Ų144.3100%1.14880%0.8SS**  090.70-169174.5164.200106.6V3M1-V3 PolarHBondContact O-N 3.02Å
2A41.5Very low43.7Very low96 Ų96147.3 Ų147.379%0.79380%0.804SS**  trans-84.7110.417900000107.6V4A2-V4 PolarHBondContact O-N 2.87Å
3V42.5Very low44.5Very low119 Ų119145.4 Ų145.472%0.72178%0.784SS**  trans-73.3106.6170.3178.10000105.8M1 E5M1-V3 PolarHBondContact O-N 3.02Å; V3-E5 PolarHBondContact O-N 3.02Å; V3-E5 VanDerWaalsContact O-N 3.1Å
4V44.6Very low45.4Very low123 Ų123147.3 Ų147.375%0.74578%0.784SS**  trans-72.7100.2170.6171.70000106.6A2 K6A2-V4 PolarHBondContact O-N 2.87Å; V4-K6 PolarHBondContact O-N 3.15Å; V4-K6 VanDerWaalsContact O-N 3.13Å
5E40.2Very low46.1Very low176 Ų176144 Ų14482%0.82277%0.772SS**  trans-61.6110.9168.1-73-178.716600108V3 S7V3-E5 PolarHBondContact O-N 3.02Å; V3-E5 VanDerWaalsContact O-N 3.1Å; E5-S7 PolarHBondContact O-N 3.07Å
6K42.5Very low46.9Very low190 Ų190144.8 Ų144.883%0.82677%0.769SS**  trans-67105.9169.4-68.9-167.5179.5-176.20107.2V4 T8V4-K6 PolarHBondContact O-N 3.15Å; V4-K6 VanDerWaalsContact O-N 3.13Å; K6-T8 PolarHBondContact O-N 3.46Å
7S39.3Very low48Very low106 Ų106148.5 Ų148.574%0.74178%0.781SS**  trans-51.7107.7171.338.50000109.3E5 M9E5-S7 PolarHBondContact O-N 3.07Å; S7-M9 PolarHBondContact O-N 2.99Å
8T41.8Very low49.3Very low139 Ų139144.5 Ų144.585%0.85378%0.781SS**  trans-76.283173.1-56.90000106.7K6 S10K6-T8 PolarHBondContact O-N 3.46Å; T8-S10 PolarHBondContact O-N 3.32Å; T8-S10 VanDerWaalsContact O-N 3.16Å
9M40.7Very low50.3Low155 Ų155138.9 Ų138.976%0.76476%0.761SS**  trans-66.4114.5169.2-86.6-166.649.800108.3S7 K11S7-M9 PolarHBondContact O-N 2.99Å; M9-K11 VanDerWaalsContact C-N 3.31Å; M9-K11 PolarHBondContact O-N 2.88Å
10S43.8Very low51.7Low115 Ų115140.9 Ų140.980%0.80476%0.762SS**  trans-63.485.5175.654.20000110.3T8T8-S10 PolarHBondContact O-N 3.32Å; T8-S10 VanDerWaalsContact O-N 3.16Å
11K52.2Low52.9Low135 Ų135138.4 Ų138.459%0.58775%0.754SS**  trans-79.6125.6156.4-75.9-176.9177.4-178.20106.6M9 F13M9-K11 VanDerWaalsContact C-N 3.31Å; M9-K11 PolarHBondContact O-N 2.88Å; K11-F13 WeakPolarHBondContact O-CD2 3.28Å; K11-F13 PolarHBondContact O-N 2.9Å
12E53.1Low54.6Low180 Ų180134.1 Ų134.184%0.84173%0.729SS**  trans-57.499.2176.5-70.9-177.3153.800109.2H14E12-H14 PolarHBondContact O-N 3.48Å
13F53.6Low56.6Low123 Ų123135.6 Ų135.654%0.53972%0.722SS.*  trans-73.4117.2167.3-73.5-88000106.7K11 V15K11-F13 WeakPolarHBondContact O-CD2 3.28Å; K11-F13 PolarHBondContact O-N 2.9Å; F13-V15 HydrophobicContact CB-CG2 3.75Å; F13-V15 PolarHBondContact O-N 3.21Å
14H57.2Low58.6Low172 Ų172138.2 Ų138.280%0.79673%0.733SS**  trans-6881.9161-71.9-64.6000108.4E12 H16E12-H14 PolarHBondContact O-N 3.48Å; H14-H16 PolarHBondContact O-N 2.72Å
15V55.7Low60.6Low98 Ų98137.8 Ų137.859%0.59473%0.725SS**  trans-78.298.8171.3-175.40000106.5F13F13-V15 HydrophobicContact CB-CG2 3.75Å; F13-V15 PolarHBondContact O-N 3.21Å
16H59.4Low62.7Low157 Ų157134.5 Ų134.573%0.72771%0.71SS**  trans-57.2146.1160.8-80-78.1000108.7H14 G18 G19H14-H16 PolarHBondContact O-N 2.72Å; H16-G18 PolarHBondContact O-N 2.63Å; H16-G19 PolarHBondContact O-N 3.42Å
17Q65.3Low64.8Low207 Ų207131.3 Ų131.397%0.96771%0.706SS**THydrogen-bonded Turntrans-53.5113.7179.7-63.4-165.8-2.100110
18G71.4Confident67.3Low77 Ų77129.3 Ų129.379%0.79469%0.686SS**THydrogen-bonded Turntrans88.98.7-175.900000116.3H16H16-G18 PolarHBondContact O-N 2.63Å
19G69.4Low69.6Low39 Ų39127.4 Ų127.440%0.40268%0.676SS.*PPolyproline II helixtrans-75.5144.4175.900000113.2H16H16-G19 PolarHBondContact O-N 3.42Å
20F77.2Confident72.2Confident178 Ų178127.5 Ų127.578%0.78168%0.68SS**PPolyproline II helixtrans-87.6140.6169.8-61.4-86.2000109.8F22F20-F22 PolarHBondContact O-N 2.78Å
21P76.9Confident74.7Confident89 Ų89124.6 Ų124.658%0.57865%0.653SS**PPolyproline II helixtrans-66.7121.517327.7-32.7000109.6L23P21-L23 PolarHBondContact O-N 3.34Å
22F79.1Confident76.8Confident142 Ų142120.8 Ų120.862%0.62364%0.638SS**  trans-87101.2166.1-68.1-77.1000108.7F20 I25F20-F22 PolarHBondContact O-N 2.78Å; F22-I25 HydrophobicContact CB-CB 3.87Å; F22-I25 HydrophobicContact CB-CD1 3.85Å; F22-I25 HydrophobicContact CB-CG1 4.01Å; F22-I25 HydrophobicContact CD1-CD1 3.77Å; F22-I25 HydrophobicContact CG-CD1 3.99Å
23L83.4Confident79Confident127 Ų127116.1 Ų116.167%0.66562%0.619SS**THydrogen-bonded Turntrans-69142.8170.6-61.5171.6000108.8P21 I25P21-L23 PolarHBondContact O-N 3.34Å; L23-I25 PolarHBondContact O-N 3.02Å; L23-I25 VanDerWaalsContact O-N 3.07Å
24D83.7Confident81.1Confident175 Ų175118 Ų11894%0.93663%0.629SS**THydrogen-bonded Turntrans63.88.7177.6-48-49.1000116.2
25I86.4Confident83Confident113 Ų113116 Ų11658%0.57963%0.625SS**  trans-103.4130.7168.6-56.9-172.5000108.7F22 L23F22-I25 HydrophobicContact CB-CB 3.87Å; F22-I25 HydrophobicContact CB-CD1 3.85Å; F22-I25 HydrophobicContact CB-CG1 4.01Å; F22-I25 HydrophobicContact CD1-CD1 3.77Å; F22-I25 HydrophobicContact CG-CD1 3.99Å; L23-I25 PolarHBondContact O-N 3.02Å; L23-I25 VanDerWaalsContact O-N 3.07Å
26E83.7Confident85.1Confident108 Ų108113.3 Ų113.351%0.50561%0.605SS.*  trans-130.5134.5178-174.2174.7-145.200109.9K98E26-K98 IonicContact OE1-NZ 2.6Å; E26-K98 PolarHBondContact OE1-NZ 3.45Å; E26-K98 IonicContact OE2-NZ 2.72Å; E26-K98 PolarHBondContact OE2-NZ 3.21Å
27V87.7Confident86.9Confident123 Ų123111.1 Ų111.175%0.74560%0.595SS**  trans-102.7126.4171.2179.20000107.5P29V27-P29 VanDerWaalsContact O-CD 3.31Å; V27-P29 WeakPolarHBondContact O-CD 3.33Å
28I90.9Very high88.5Confident64 Ų64104.1 Ų104.133%0.32857%0.573SS.*  trans-97.9102.5175.9-56.7170.3000107F31 L94I28-F31 HydrophobicContact CB-CB 4.49Å; I28-F31 HydrophobicContact CD1-CD2 4.49Å; I28-F31 HydrophobicContact CG2-CB 4.23Å; I28-F31 HydrophobicContact CG2-CD2 4.05Å; I28-L94 HydrophobicContact CD1-CD1 3.96Å; I28-L94 HydrophobicContact CG2-CD1 4.27Å
29P91.9Very high89.7Confident99 Ų99104.1 Ų104.164%0.64355%0.554SS**THydrogen-bonded Turntrans-64.9147.1179.328.6-34.7000110.1V27 F31V27-P29 VanDerWaalsContact O-CD 3.31Å; V27-P29 WeakPolarHBondContact O-CD 3.33Å; P29-F31 PolarHBondContact O-N 3.11Å; P29-F31 VanDerWaalsContact O-N 3.17Å
30N94.5Very high91.1Very high157 Ų157103.1 Ų103.184%0.8454%0.539SS*.THydrogen-bonded Turntrans51.839.7175.3-50-41.9000113I32N30-I32 PolarHBondContact O-N 3.25Å
31F96Very high92.1Very high54 Ų5498.2 Ų98.224%0.23752%0.524CS..SBendtrans-62.8-28.9178.6-179-102.6000112.4I28 P29 L87 R90 L94I28-F31 HydrophobicContact CB-CB 4.49Å; I28-F31 HydrophobicContact CD1-CD2 4.49Å; I28-F31 HydrophobicContact CG2-CB 4.23Å; I28-F31 HydrophobicContact CG2-CD2 4.05Å; P29-F31 PolarHBondContact O-N 3.11Å; P29-F31 VanDerWaalsContact O-N 3.17Å; F31-L87 HydrophobicContact CD1-CD2 4.47Å; F31-L87 HydrophobicContact CE1-CD2 3.95Å; F31-R90 HydrophobicContact CD2-CG 4.47Å; F31-R90 HydrophobicContact CE2-CB 4.28Å; F31-R90 HydrophobicContact CE2-CG 3.67Å; F31-R90 HydrophobicContact CZ-CB 3.98Å; F31-R90 HydrophobicContact CZ-CG 3.85Å; F31-R90 WeakPolarHBondContact O-CD 3.37Å; F31-R90 PolarHBondContact O-NH1 3.25Å; F31-L94 HydrophobicContact CD2-CD1 3.86Å; F31-L94 HydrophobicContact CE2-CD1 3.62Å
32I97.2Very high93.1Very high55 Ų5599.3 Ų99.328%0.28252%0.521SS..SBendtrans-125.1152.116857.4175.7000108.8N30 E36 E37 L40 F86 L87N30-I32 PolarHBondContact O-N 3.25Å; I32-E36 VanDerWaalsContact CA-OE2 3.25Å; I32-E36 WeakPolarHBondContact CA-OE2 3.41Å; I32-E36 HydrophobicContact CB-CB 4.13Å; I32-E37 HydrophobicContact CD1-CB 4.16Å; I32-L40 HydrophobicContact CD1-CD1 3.98Å; I32-L40 HydrophobicContact CG2-CD1 4.47Å; I32-F86 HydrophobicContact CG2-CE2 4.34Å; I32-L87 HydrophobicContact CG2-CD2 3.4Å
33D97.5Very high93.9Very high81 Ų8195.4 Ų95.443%0.43350%0.504SS..  trans-93.1172.8170.969.650.2000112.3N35 E36 E37D33-N35 VanDerWaalsContact C-N 3.28Å; D33-N35 PolarHBondContact O-N 3.17Å; D33-N35 WeakPolarHBondContact OD1-CA 3.49Å; D33-N35 WeakPolarHBondContact OD1-CB 3.5Å; D33-N35 PolarHBondContact OD1-N 3.43Å; D33-E36 PolarHBondContact N-OE2 3.2Å; D33-E36 PolarHBondContact O-N 3.33Å; D33-E36 WeakPolarHBondContact OD1-CG 3.43Å; D33-E36 PolarHBondContact OD1-N 3.28Å; D33-E37 PolarHBondContact O-N 3.48Å
34E98.3Very high94.6Very high163 Ų16391.8 Ų91.876%0.76249%0.485SS*.Hα-helixtrans-61.7-32.3-177.4-64.1-180-179.500113.1A38E34-A38 WeakPolarHBondContact O-CB 3.28Å; E34-A38 PolarHBondContact O-N 3.19Å
35N98.2Very high95.2Very high131 Ų13188.4 Ų88.470%0.70147%0.467SS*.Hα-helixtrans-73.4-40.4178.3-59.8-56.1000110.6D33 E37 A38 M39D33-N35 VanDerWaalsContact C-N 3.28Å; D33-N35 PolarHBondContact O-N 3.17Å; D33-N35 WeakPolarHBondContact OD1-CA 3.49Å; D33-N35 WeakPolarHBondContact OD1-CB 3.5Å; D33-N35 PolarHBondContact OD1-N 3.43Å; N35-E37 VanDerWaalsContact C-N 3.34Å; N35-A38 PolarHBondContact O-N 3.38Å; N35-M39 WeakPolarHBondContact O-CB 3.31Å; N35-M39 PolarHBondContact O-N 3.01Å
36E98.1Very high95.6Very high40 Ų4088.6 Ų88.619%0.18746%0.464CS..Hα-helixtrans-65-39.1174.8-66.8-179.3146.800111.7I32 D33 L40 F86 R90I32-E36 VanDerWaalsContact CA-OE2 3.25Å; I32-E36 WeakPolarHBondContact CA-OE2 3.41Å; I32-E36 HydrophobicContact CB-CB 4.13Å; D33-E36 PolarHBondContact N-OE2 3.2Å; D33-E36 PolarHBondContact O-N 3.33Å; D33-E36 WeakPolarHBondContact OD1-CG 3.43Å; D33-E36 PolarHBondContact OD1-N 3.28Å; E36-L40 WeakPolarHBondContact O-CB 3.33Å; E36-L40 WeakPolarHBondContact O-CG 3.48Å; E36-L40 PolarHBondContact O-N 3.44Å; E36-F86 HydrophobicContact CB-CE2 4.4Å; E36-F86 HydrophobicContact CB-CZ 4.29Å; E36-F86 HydrophobicContact CG-CE2 4.3Å; E36-R90 IonicContact OE1-CZ 2.63Å; E36-R90 IonicContact OE1-NH1 2.72Å; E36-R90 PolarHBondContact OE1-NH1 2.88Å; E36-R90 IonicContact OE1-NH2 2.73Å; E36-R90 PolarHBondContact OE1-NH2 3.43Å; E36-R90 IonicContact OE2-CZ 3.46Å; E36-R90 IonicContact OE2-NH1 3.42Å; E36-R90 PolarHBondContact OE2-NH1 3.38Å; E36-R90 IonicContact OE2-NH2 2.63Å; E36-R90 PolarHBondContact OE2-NH2 2.99Å
37E98.1Very high96.1Very high111 Ų11186.5 Ų86.552%0.51945%0.454SS..Hα-helixtrans-60.2-50.3172.8-177175.4-159.800111.1I32 D33 N35 M39 L40 V41I32-E37 HydrophobicContact CD1-CB 4.16Å; D33-E37 PolarHBondContact O-N 3.48Å; N35-E37 VanDerWaalsContact C-N 3.34Å; E37-M39 PolarHBondContact O-N 3.41Å; E37-L40 WeakPolarHBondContact O-CB 3.25Å; E37-L40 PolarHBondContact O-N 3.3Å; E37-V41 WeakPolarHBondContact O-CG2 3.48Å; E37-V41 PolarHBondContact O-N 3.45Å
38A98.3Very high96.3Very high61 Ų6186.5 Ų86.550%0.50446%0.455SS..Hα-helixtrans-59.6-44.9178.600000112.2E34 N35 L40 V41 E42E34-A38 WeakPolarHBondContact O-CB 3.28Å; E34-A38 PolarHBondContact O-N 3.19Å; N35-A38 PolarHBondContact O-N 3.38Å; A38-L40 PolarHBondContact O-N 2.95Å; A38-V41 PolarHBondContact O-N 3.26Å; A38-E42 PolarHBondContact O-N 2.92Å
39M98Very high96.5Very high77 Ų7787.9 Ų87.938%0.37946%0.456SS..Hα-helixtrans-61.7-42.9175.5-179.2-141.963.600111.6N35 E37 E42 E43 F86N35-M39 WeakPolarHBondContact O-CB 3.31Å; N35-M39 PolarHBondContact O-N 3.01Å; E37-M39 PolarHBondContact O-N 3.41Å; M39-E42 PolarHBondContact O-N 3.42Å; M39-E43 HydrophobicContact CG-CG 4.48Å; M39-E43 WeakPolarHBondContact O-CB 3.38Å; M39-E43 WeakPolarHBondContact O-CG 3.4Å; M39-E43 PolarHBondContact O-N 2.89Å; M39-F86 HydrophobicContact CE-CD1 4.43Å; M39-F86 HydrophobicContact CE-CE1 3.6Å; M39-F86 HydrophobicContact CE-CZ 4.06Å
40L98Very high96.5Very high17 Ų1785.9 Ų85.99%0.08944%0.441CS..Hα-helixtrans-61.8-44.7177.5-79.1169.1000111.7I32 E36 E37 A38 E43 I44 Y83 F86 L87I32-L40 HydrophobicContact CD1-CD1 3.98Å; I32-L40 HydrophobicContact CG2-CD1 4.47Å; E36-L40 WeakPolarHBondContact O-CB 3.33Å; E36-L40 WeakPolarHBondContact O-CG 3.48Å; E36-L40 PolarHBondContact O-N 3.44Å; E37-L40 WeakPolarHBondContact O-CB 3.25Å; E37-L40 PolarHBondContact O-N 3.3Å; A38-L40 PolarHBondContact O-N 2.95Å; L40-E43 PolarHBondContact O-N 3.39Å; L40-I44 VanDerWaalsContact O-CB 3.29Å; L40-I44 WeakPolarHBondContact O-CB 3.45Å; L40-I44 WeakPolarHBondContact O-CD1 3.36Å; L40-I44 WeakPolarHBondContact O-CG1 3.18Å; L40-I44 PolarHBondContact O-N 3.04Å; L40-Y83 HydrophobicContact CD2-CD2 3.73Å; L40-Y83 HydrophobicContact CD2-CG 4.4Å; L40-F86 HydrophobicContact CD1-CZ 4.05Å; L40-F86 HydrophobicContact CD2-CE1 3.84Å; L40-F86 HydrophobicContact CD2-CZ 4.21Å; L40-F86 HydrophobicContact CG-CE1 4.22Å; L40-F86 HydrophobicContact CG-CZ 4.15Å; L40-L87 HydrophobicContact CD1-CD1 4.12Å; L40-L87 HydrophobicContact CD1-CD2 4.25Å; L40-L87 HydrophobicContact CD2-CD1 3.96Å
41V97.5Very high96.3Very high76 Ų7685 Ų8546%0.46144%0.436SS..Hα-helixtrans-59.6-48177.11720000110.4E37 A38 E43 I44 D45E37-V41 WeakPolarHBondContact O-CG2 3.48Å; E37-V41 PolarHBondContact O-N 3.45Å; A38-V41 PolarHBondContact O-N 3.26Å; V41-E43 PolarHBondContact O-N 2.96Å; V41-I44 PolarHBondContact O-N 3.33Å; V41-D45 WeakPolarHBondContact O-CB 3.29Å; V41-D45 PolarHBondContact O-N 3.21Å
42E98Very high96Very high111 Ų11183.7 Ų83.752%0.51943%0.433SS..Hα-helixtrans-59.6-46178.3-166.1-165.3153.500112.1A38 M39 D45 K46A38-E42 PolarHBondContact O-N 2.92Å; M39-E42 PolarHBondContact O-N 3.42Å; E42-D45 PolarHBondContact O-N 2.94Å; E42-K46 WeakPolarHBondContact O-CG 3.49Å; E42-K46 PolarHBondContact O-N 3.39Å; E42-K46 WeakPolarHBondContact OE1-CE 3.31Å; E42-K46 IonicContact OE1-NZ 3.48Å; E42-K46 PolarHBondContact OE1-NZ 2.85Å
43E97.6Very high95.3Very high60 Ų6090.7 Ų90.728%0.2847%0.465SS..Hα-helixtrans-69.9-34.9-179.1-74.3-59.812100113.2M39 L40 V41 K46 Q47 Y83M39-E43 HydrophobicContact CG-CG 4.48Å; M39-E43 WeakPolarHBondContact O-CB 3.38Å; M39-E43 WeakPolarHBondContact O-CG 3.4Å; M39-E43 PolarHBondContact O-N 2.89Å; L40-E43 PolarHBondContact O-N 3.39Å; V41-E43 PolarHBondContact O-N 2.96Å; E43-K46 WeakPolarHBondContact OE1-CD 3.32Å; E43-K46 IonicContact OE1-NZ 3.53Å; E43-K46 PolarHBondContact OE1-NZ 2.86Å; E43-Q47 WeakPolarHBondContact O-CG 3.2Å; E43-Q47 PolarHBondContact O-NE2 3.4Å; E43-Q47 VanDerWaalsContact O-NE2 3.08Å; E43-Y83 HydrophobicContact CB-CD1 3.85Å; E43-Y83 HydrophobicContact CB-CG 4.04Å
44I96.9Very high94.9Very high52 Ų5290.4 Ų90.427%0.26747%0.47SS..Hα-helixtrans-65-45.7173.2-72.7165000109.5L40 V41 K46 Q47 W49 Q59 Y83L40-I44 VanDerWaalsContact O-CB 3.29Å; L40-I44 WeakPolarHBondContact O-CB 3.45Å; L40-I44 WeakPolarHBondContact O-CD1 3.36Å; L40-I44 WeakPolarHBondContact O-CG1 3.18Å; L40-I44 PolarHBondContact O-N 3.04Å; V41-I44 PolarHBondContact O-N 3.33Å; I44-K46 VanDerWaalsContact C-N 3.26Å; I44-K46 PolarHBondContact O-N 3.17Å; I44-Q47 WeakPolarHBondContact O-CB 3.36Å; I44-Q47 PolarHBondContact O-N 3.16Å; I44-W49 HydrophobicContact CG2-CH2 4.23Å; I44-W49 HydrophobicContact CG2-CZ2 3.83Å; I44-Q59 PolarHBondContact O-NE2 2.6Å; I44-Y83 HydrophobicContact CD1-CE2 4.3Å; I44-Y83 HydrophobicContact CG1-CD2 4.39Å; I44-Y83 HydrophobicContact CG1-CE1 4.1Å; I44-Y83 HydrophobicContact CG1-CE2 3.73Å
45D96.4Very high94.5Very high103 Ų10385.3 Ų85.355%0.55146%0.46SS*.Hα-helixtrans-67.6-25.6-177.2-81.3-18.6000113.5V41 E42 Q47V41-D45 WeakPolarHBondContact O-CB 3.29Å; V41-D45 PolarHBondContact O-N 3.21Å; E42-D45 PolarHBondContact O-N 2.94Å; D45-Q47 VanDerWaalsContact C-N 3.25Å; D45-Q47 PolarHBondContact O-N 2.96Å
46K95.9Very high94.2Very high117 Ų11787.9 Ų87.951%0.50946%0.46SS..THydrogen-bonded Turntrans-67.6-20.7171.4-72.9169.8-171.4163.80113.7E42 E43 I44E42-K46 WeakPolarHBondContact O-CG 3.49Å; E42-K46 PolarHBondContact O-N 3.39Å; E42-K46 WeakPolarHBondContact OE1-CE 3.31Å; E42-K46 IonicContact OE1-NZ 3.48Å; E42-K46 PolarHBondContact OE1-NZ 2.85Å; E43-K46 WeakPolarHBondContact OE1-CD 3.32Å; E43-K46 IonicContact OE1-NZ 3.53Å; E43-K46 PolarHBondContact OE1-NZ 2.86Å; I44-K46 VanDerWaalsContact C-N 3.26Å; I44-K46 PolarHBondContact O-N 3.17Å
47Q93.1Very high94.1Very high64 Ų6494.4 Ų94.430%0.29948%0.483SS..SBendtrans-79.2155.9-177.8-49.9-56.4-55.800112.2E43 I44 D45 W49 Y61 Y83E43-Q47 WeakPolarHBondContact O-CG 3.2Å; E43-Q47 PolarHBondContact O-NE2 3.4Å; E43-Q47 VanDerWaalsContact O-NE2 3.08Å; I44-Q47 WeakPolarHBondContact O-CB 3.36Å; I44-Q47 PolarHBondContact O-N 3.16Å; D45-Q47 VanDerWaalsContact C-N 3.25Å; D45-Q47 PolarHBondContact O-N 2.96Å; Q47-W49 PolarHBondContact O-N 3.42Å; Q47-Y61 WeakPolarHBondContact CG-OH 3.49Å; Q47-Y83 HydrophobicContact CG-CE1 3.93Å
48T92Very high93.9Very high124 Ų12493 Ų9376%0.76148%0.475SS*.PPolyproline II helixtrans-69.3118.3178.5-56.70000111.5
49W94.6Very high93.6Very high93 Ų9391.7 Ų91.735%0.35246%0.459SS..PPolyproline II helixtrans-87.7136.7172-65.884.9000111.4I44 Q47 R57 Q59I44-W49 HydrophobicContact CG2-CH2 4.23Å; I44-W49 HydrophobicContact CG2-CZ2 3.83Å; Q47-W49 PolarHBondContact O-N 3.42Å; W49-R57 HydrophobicContact CB-CB 4.14Å; W49-R57 HydrophobicContact CB-CG 4.49Å; W49-R57 HydrophobicContact CD2-CB 4.38Å; W49-R57 HydrophobicContact CE3-CB 3.77Å; W49-Q59 HydrophobicContact CD2-CG 4.05Å; W49-Q59 VanDerWaalsContact CE2-NE2 3.27Å; W49-Q59 HydrophobicContact CE3-CG 4.01Å; W49-Q59 HydrophobicContact CZ3-CG 4.34Å
50V91.6Very high93.3Very high56 Ų5691.2 Ų91.234%0.33946%0.458SS..EExtended strand (participates in β ladder)trans-117.9151.4175.2-60.70000111.3R57 K58V50-R57 CarbonylContact O-C 3.52Å; V50-R57 VanDerWaalsContact O-CA 3.32Å; V50-R57 WeakPolarHBondContact O-CA 3.43Å; V50-K58 HydrophobicContact CG2-CG 3.96Å; V50-K58 WeakPolarHBondContact CG2-O 3.21Å; V50-K58 PolarHBondContact N-O 2.94Å; V50-K58 PolarHBondContact O-N 3.37Å
51L92Very high92.8Very high139 Ų13994 Ų9473%0.72847%0.468SS*.EExtended strand (participates in β ladder)trans-72131.3176.3-67.5173000111R57L51-R57 HydrophobicContact CD2-CG 4.19Å
52S88.3Confident92.5Very high26 Ų2691.6 Ų91.618%0.18246%0.458CS..  trans-86.5165.7168.5740000111.3S54 G55 R56S52-S54 PolarHBondContact O-N 3.31Å; S52-S54 VanDerWaalsContact O-N 3.15Å; S52-S54 PolarHBondContact OG-N 2.9Å; S52-S54 PolarHBondContact OG-OG 2.88Å; S52-G55 PolarHBondContact O-N 2.63Å; S52-R56 WeakPolarHBondContact CA-O 3.21Å; S52-R56 WeakPolarHBondContact CB-O 3.39Å; S52-R56 PolarHBondContact N-O 2.73Å; S52-R56 PolarHBondContact OG-N 3.24Å; S52-R56 PolarHBondContact OG-O 2.72Å
53Q82.4Confident92.1Very high203 Ų20390 Ų9095%0.94946%0.457SS*.THydrogen-bonded Turntrans-56.7-28.6173.3-175.1-174.2-2100112.7G55Q53-G55 PolarHBondContact O-N 2.93Å
54S88.8Confident91.6Very high75 Ų7592.9 Ų92.952%0.52447%0.469SS..THydrogen-bonded Turntrans-77.7-0.6177.272.10000114.1S52 R56S52-S54 PolarHBondContact O-N 3.31Å; S52-S54 VanDerWaalsContact O-N 3.15Å; S52-S54 PolarHBondContact OG-N 2.9Å; S52-S54 PolarHBondContact OG-OG 2.88Å; S54-R56 PolarHBondContact O-N 2.99Å; S54-R56 PolarHBondContact OG-N 3.02Å
55G90Very high91.2Very high55 Ų5593.9 Ų93.957%0.56748%0.477SS*.SBendtrans80.5-13.3-171.900000114.2S52 Q53S52-G55 PolarHBondContact O-N 2.63Å; Q53-G55 PolarHBondContact O-N 2.93Å
56R93.6Very high90.8Very high185 Ų18592.4 Ų92.470%0.69847%0.469SS*.  trans-71.2147.3173.4-62.6-179176.5106.8-2.5111.4S52 S54S52-R56 WeakPolarHBondContact CA-O 3.21Å; S52-R56 WeakPolarHBondContact CB-O 3.39Å; S52-R56 PolarHBondContact N-O 2.73Å; S52-R56 PolarHBondContact OG-N 3.24Å; S52-R56 PolarHBondContact OG-O 2.72Å; S54-R56 PolarHBondContact O-N 2.99Å; S54-R56 PolarHBondContact OG-N 3.02Å
57R94.1Very high90.5Very high177 Ų17794.8 Ų94.867%0.66848%0.48SS*.EExtended strand (participates in β ladder)trans-77.3143.8171.1-67.5-174.3-60.1-171.83.8110.4W49 V50 L51W49-R57 HydrophobicContact CB-CB 4.14Å; W49-R57 HydrophobicContact CB-CG 4.49Å; W49-R57 HydrophobicContact CD2-CB 4.38Å; W49-R57 HydrophobicContact CE3-CB 3.77Å; V50-R57 CarbonylContact O-C 3.52Å; V50-R57 VanDerWaalsContact O-CA 3.32Å; V50-R57 WeakPolarHBondContact O-CA 3.43Å; L51-R57 HydrophobicContact CD2-CG 4.19Å
58K94.2Very high90.3Very high81 Ų81101.5 Ų101.535%0.35251%0.508SS..EExtended strand (participates in β ladder)trans-143.8166.1176.162.5169.7-175.1149.90110.7V50 D60V50-K58 HydrophobicContact CG2-CG 3.96Å; V50-K58 WeakPolarHBondContact CG2-O 3.21Å; V50-K58 PolarHBondContact N-O 2.94Å; V50-K58 PolarHBondContact O-N 3.37Å; K58-D60 WeakPolarHBondContact CE-OD1 3.16Å; K58-D60 WeakPolarHBondContact CE-OD2 3.46Å; K58-D60 IonicContact NZ-OD1 2.72Å; K58-D60 PolarHBondContact NZ-OD1 3.1Å; K58-D60 IonicContact NZ-OD2 2.95Å; K58-D60 PolarHBondContact NZ-OD2 3.22Å
59Q93.5Very high90.3Very high35 Ų35103.5 Ų103.516%0.16450%0.502CS..  trans-112.7131.5169.8-62.9175.1-2.300108.4I44 W49 Y61I44-Q59 PolarHBondContact O-NE2 2.6Å; W49-Q59 HydrophobicContact CD2-CG 4.05Å; W49-Q59 VanDerWaalsContact CE2-NE2 3.27Å; W49-Q59 HydrophobicContact CE3-CG 4.01Å; W49-Q59 HydrophobicContact CZ3-CG 4.34Å; Q59-Y61 HydrophobicContact CB-CD2 4.49Å; Q59-Y61 HydrophobicContact CB-CE2 3.63Å; Q59-Y61 PolarHBondContact OE1-OH 3.13Å
60D89.7Confident90.3Very high67 Ų67107.8 Ų107.836%0.35853%0.526SS..  trans-113.3121.6-178.9-76.9-38000109.7K58K58-D60 WeakPolarHBondContact CE-OD1 3.16Å; K58-D60 WeakPolarHBondContact CE-OD2 3.46Å; K58-D60 IonicContact NZ-OD1 2.72Å; K58-D60 PolarHBondContact NZ-OD1 3.1Å; K58-D60 IonicContact NZ-OD2 2.95Å; K58-D60 PolarHBondContact NZ-OD2 3.22Å
61Y89.5Confident90.3Very high76 Ų76110.8 Ų110.830%0.29853%0.534SS..  trans-118.716.4180-60.3-70.1000114.1Q47 Q59 F77 P81Q47-Y61 WeakPolarHBondContact CG-OH 3.49Å; Q59-Y61 HydrophobicContact CB-CD2 4.49Å; Q59-Y61 HydrophobicContact CB-CE2 3.63Å; Q59-Y61 PolarHBondContact OE1-OH 3.13Å; Y61-F77 WeakPolarHBondContact O-CD2 3.28Å; Y61-F77 WeakPolarHBondContact O-CE2 3.5Å; Y61-P81 HydrophobicContact CD1-CG 3.81Å; Y61-P81 HydrophobicContact CD2-CG 3.94Å; Y61-P81 HydrophobicContact CE1-CG 3.43Å; Y61-P81 VanDerWaalsContact CE1-CG 3.43Å; Y61-P81 HydrophobicContact CE2-CG 3.55Å; Y61-P81 HydrophobicContact CG-CG 4.06Å
62G89.6Confident90.3Very high25 Ų25108.5 Ų108.526%0.25853%0.526SS..SBendtrans-162-163.3-173.700000115K64G62-K64 PolarHBondContact O-N 3.46Å
63P89.6Confident90.4Very high76 Ų76113.4 Ų113.449%0.49455%0.546SS..PPolyproline II helixtrans-52.5135.3-177.9-27.735.1000112.6V72 H73P63-V72 HydrophobicContact CB-CG1 4.05Å; P63-H73 CarbonylContact C-O 3.58Å; P63-H73 WeakPolarHBondContact CA-O 3.32Å
64K87.9Confident90.4Very high122 Ų122110.1 Ų110.153%0.5353%0.533SS..EExtended strand (participates in β ladder)trans-98.6120.6-179.5-65.1-176.5179.6-179.40109.5G62 H73G62-K64 PolarHBondContact O-N 3.46Å; K64-H73 HydrophobicContact CB-CB 4.42Å; K64-H73 PolarHBondContact N-O 3.37Å; K64-H73 PolarHBondContact O-N 3.18Å
65V87.9Confident89.9Confident73 Ų73108.3 Ų108.344%0.44253%0.527SS..EExtended strand (participates in β ladder)trans-93.3131.4177.8-174.50000110.1F67 V72V65-F67 HydrophobicContact CB-CE1 4.4Å; V65-F67 HydrophobicContact CB-CE2 4.27Å; V65-F67 HydrophobicContact CB-CZ 4.11Å; V65-F67 HydrophobicContact CG1-CD1 3.77Å; V65-F67 HydrophobicContact CG1-CD2 4.28Å; V65-F67 HydrophobicContact CG1-CE1 3.61Å; V65-F67 HydrophobicContact CG1-CE2 4.14Å; V65-F67 HydrophobicContact CG1-CG 4.1Å; V65-F67 HydrophobicContact CG1-CZ 3.81Å; V65-V72 HydrophobicContact CG1-CG2 4.46Å; V65-V72 HydrophobicContact CG2-CG1 4.43Å; V65-V72 HydrophobicContact CG2-CG2 4.2Å
66N88Confident89.5Confident72 Ų72107.6 Ų107.639%0.38552%0.519SS..EExtended strand (participates in β ladder)trans-107.692.4166.8-172.9-36.6000108.9K68 R69 Q70 K71N66-K68 PolarHBondContact O-N 2.94Å; N66-K68 PolarHBondContact OD1-N 3.13Å; N66-R69 HydrophobicContact CB-CB 4.45Å; N66-R69 CarbonylContact O-C 3.59Å; N66-R69 PolarHBondContact O-N 3.43Å; N66-R69 PolarHBondContact OD1-N 3.09Å; N66-Q70 PolarHBondContact O-N 3.34Å; N66-K71 PolarHBondContact N-O 3.05Å; N66-K71 PolarHBondContact O-N 3.35Å
67F89.4Confident89.2Confident167 Ų167104.9 Ų104.973%0.73251%0.512SS*.G310 helixtrans-60.9-41.5-178.1-64.3-73.4000112.9V65 R69 Q70V65-F67 HydrophobicContact CB-CE1 4.4Å; V65-F67 HydrophobicContact CB-CE2 4.27Å; V65-F67 HydrophobicContact CB-CZ 4.11Å; V65-F67 HydrophobicContact CG1-CD1 3.77Å; V65-F67 HydrophobicContact CG1-CD2 4.28Å; V65-F67 HydrophobicContact CG1-CE1 3.61Å; V65-F67 HydrophobicContact CG1-CE2 4.14Å; V65-F67 HydrophobicContact CG1-CG 4.1Å; V65-F67 HydrophobicContact CG1-CZ 3.81Å; F67-R69 PolarHBondContact O-N 3.17Å; F67-Q70 PolarHBondContact O-N 2.94Å
68K89Confident88.9Confident205 Ų205107 Ų10789%0.89152%0.522SS*.G310 helixtrans-58.5-35179.5-176.1174.5-179.4176.90112.1N66N66-K68 PolarHBondContact O-N 2.94Å; N66-K68 PolarHBondContact OD1-N 3.13Å
69R93Very high88.8Confident165 Ų165104.5 Ų104.562%0.62352%0.519SS*.G310 helixtrans-96-0.7177.6-61-174.377.2179.56.5113.4N66 F67 K71N66-R69 HydrophobicContact CB-CB 4.45Å; N66-R69 CarbonylContact O-C 3.59Å; N66-R69 PolarHBondContact O-N 3.43Å; N66-R69 PolarHBondContact OD1-N 3.09Å; F67-R69 PolarHBondContact O-N 3.17Å; R69-K71 HydrophobicContact CB-CB 4.31Å; R69-K71 HydrophobicContact CB-CD 4.32Å; R69-K71 HydrophobicContact CB-CG 4.22Å; R69-K71 WeakPolarHBondContact O-CG 3.24Å; R69-K71 PolarHBondContact O-N 2.81Å
70Q93.5Very high88.8Confident183 Ų183107.7 Ų107.786%0.85554%0.537SS*.THydrogen-bonded Turntrans49.139.3-170.3-60.8178.6-24.800112.4N66 F67N66-Q70 PolarHBondContact O-N 3.34Å; F67-Q70 PolarHBondContact O-N 2.94Å
71K93.3Very high88.9Confident120 Ų120105.2 Ų105.252%0.52252%0.524SS..EExtended strand (participates in β ladder)trans-118139.5-177.8-75.5-176.6-177.4-164.60110.9N66 R69N66-K71 PolarHBondContact N-O 3.05Å; N66-K71 PolarHBondContact O-N 3.35Å; R69-K71 HydrophobicContact CB-CB 4.31Å; R69-K71 HydrophobicContact CB-CD 4.32Å; R69-K71 HydrophobicContact CB-CG 4.22Å; R69-K71 WeakPolarHBondContact O-CG 3.24Å; R69-K71 PolarHBondContact O-N 2.81Å
72V91.6Very high89.2Confident90 Ų90106 Ų10655%0.54555%0.546SS..EExtended strand (participates in β ladder)trans-104.7121.6167.2-176.90000107.8P63 V65P63-V72 HydrophobicContact CB-CG1 4.05Å; V65-V72 HydrophobicContact CG1-CG2 4.46Å; V65-V72 HydrophobicContact CG2-CG1 4.43Å; V65-V72 HydrophobicContact CG2-CG2 4.2Å
73H88.7Confident89.5Confident130 Ų130106.3 Ų106.360%0.60254%0.54SS*.EExtended strand (participates in β ladder)trans-88.1108.1165.7-175.473.4000107.7P63 K64 G75P63-H73 CarbonylContact C-O 3.58Å; P63-H73 WeakPolarHBondContact CA-O 3.32Å; K64-H73 HydrophobicContact CB-CB 4.42Å; K64-H73 PolarHBondContact N-O 3.37Å; K64-H73 PolarHBondContact O-N 3.18Å; H73-G75 PolarHBondContact CD2-N 2.94Å; H73-G75 PolarHBondContact O-N 3.5Å
74I83.8Confident89.8Confident133 Ų133103.5 Ų103.568%0.68252%0.522SS*.  trans-61.5-27.6-174.9-66.3164.8000111.1
75G78.2Confident90.2Very high38 Ų38106.9 Ų106.939%0.39253%0.531SS..  trans53.2-173.8176.800000113.1H73H73-G75 PolarHBondContact CD2-N 2.94Å; H73-G75 PolarHBondContact O-N 3.5Å
76G80.5Confident90.6Very high39 Ų39106 Ų10640%0.40252%0.522SS..  trans-90.3121.716600000109.7
77F89Confident91Very high129 Ų129104.6 Ų104.657%0.56651%0.514SS*.  trans-90.6103.7161.9179.9-110.5000108.1Y61 G79 L80Y61-F77 WeakPolarHBondContact O-CD2 3.28Å; Y61-F77 WeakPolarHBondContact O-CE2 3.5Å; F77-G79 VanDerWaalsContact C-N 3.28Å; F77-L80 HydrophobicContact CE2-CD2 4.36Å; F77-L80 HydrophobicContact CZ-CD2 4.43Å; F77-L80 HydrophobicContact CZ-CG 4.38Å
78Y88Confident91.3Very high221 Ų22199.7 Ų99.787%0.86750%0.495SS*.  trans-92.812.8-178.2-59.1-75000113
79G91.4Very high91.7Very high28 Ų2893.2 Ų93.229%0.28947%0.472SS..  trans94.3179.6-171.400000112.6F77F77-G79 VanDerWaalsContact C-N 3.28Å
80L92.4Very high91.9Very high102 Ų10288.9 Ų88.953%0.53446%0.456SS..SBendtrans-85.7158.6175.9-62.4173.6000110.4F77 S84 I88F77-L80 HydrophobicContact CE2-CD2 4.36Å; F77-L80 HydrophobicContact CZ-CD2 4.43Å; F77-L80 HydrophobicContact CZ-CG 4.38Å; L80-S84 VanDerWaalsContact CB-OG 3.29Å; L80-S84 WeakPolarHBondContact CB-OG 3.48Å; L80-I88 HydrophobicContact CD1-CD1 3.46Å; L80-I88 VanDerWaalsContact CD1-CD1 3.46Å
81P93.8Very high92Very high16 Ų1686 Ų8610%0.10444%0.438CS..  trans-55.3148.1177.1-27.537.3000113Y61 Y83 S84Y61-P81 HydrophobicContact CD1-CG 3.81Å; Y61-P81 HydrophobicContact CD2-CG 3.94Å; Y61-P81 HydrophobicContact CE1-CG 3.43Å; Y61-P81 VanDerWaalsContact CE1-CG 3.43Å; Y61-P81 HydrophobicContact CE2-CG 3.55Å; Y61-P81 HydrophobicContact CG-CG 4.06Å; P81-Y83 HydrophobicContact CB-CD1 3.58Å; P81-Y83 HydrophobicContact CB-CD2 4.4Å; P81-Y83 HydrophobicContact CB-CE1 3.17Å; P81-Y83 HydrophobicContact CB-CE2 4.06Å; P81-Y83 HydrophobicContact CB-CG 4.18Å; P81-Y83 VanDerWaalsContact CB-CZ 3.44Å; P81-Y83 HydrophobicContact CG-CE1 3.84Å; P81-Y83 HydrophobicContact CG-CE2 4.44Å; P81-Y83 PolarHBondContact O-N 3.18Å; P81-S84 WeakPolarHBondContact O-CB 3.27Å; P81-S84 PolarHBondContact O-N 3.44Å; P81-S84 PolarHBondContact O-OG 3.37Å
82A94.7Very high92Very high91 Ų9183.6 Ų83.675%0.75243%0.431SS*.G310 helixtrans-56.4-38.3-176.800000113S84 R85A82-S84 PolarHBondContact O-N 3.38Å; A82-R85 VanDerWaalsContact O-CB 3.24Å; A82-R85 WeakPolarHBondContact O-CB 3.43Å; A82-R85 PolarHBondContact O-N 3.18Å; A82-R85 VanDerWaalsContact O-N 3.09Å
83Y95.4Very high92.2Very high33 Ų3382.6 Ų82.613%0.12942%0.423CS..G310 helixtrans-61.9-22.117864.2-106.5000113.2L40 E43 I44 Q47 P81 R85 F86L40-Y83 HydrophobicContact CD2-CD2 3.73Å; L40-Y83 HydrophobicContact CD2-CG 4.4Å; E43-Y83 HydrophobicContact CB-CD1 3.85Å; E43-Y83 HydrophobicContact CB-CG 4.04Å; I44-Y83 HydrophobicContact CD1-CE2 4.3Å; I44-Y83 HydrophobicContact CG1-CD2 4.39Å; I44-Y83 HydrophobicContact CG1-CE1 4.1Å; I44-Y83 HydrophobicContact CG1-CE2 3.73Å; Q47-Y83 HydrophobicContact CG-CE1 3.93Å; P81-Y83 HydrophobicContact CB-CD1 3.58Å; P81-Y83 HydrophobicContact CB-CD2 4.4Å; P81-Y83 HydrophobicContact CB-CE1 3.17Å; P81-Y83 HydrophobicContact CB-CE2 4.06Å; P81-Y83 HydrophobicContact CB-CG 4.18Å; P81-Y83 VanDerWaalsContact CB-CZ 3.44Å; P81-Y83 HydrophobicContact CG-CE1 3.84Å; P81-Y83 HydrophobicContact CG-CE2 4.44Å; P81-Y83 PolarHBondContact O-N 3.18Å; Y83-R85 VanDerWaalsContact C-N 3.27Å; Y83-R85 PolarHBondContact O-N 3.37Å; Y83-F86 WeakPolarHBondContact O-CD1 3.48Å; Y83-F86 WeakPolarHBondContact O-CE1 3.37Å
84S95.6Very high92.4Very high17 Ų1779 Ų7912%0.11941%0.408CS..G310 helixtrans-78.7-12178.882.70000113L80 P81 A82 F86 L87 I88L80-S84 VanDerWaalsContact CB-OG 3.29Å; L80-S84 WeakPolarHBondContact CB-OG 3.48Å; P81-S84 WeakPolarHBondContact O-CB 3.27Å; P81-S84 PolarHBondContact O-N 3.44Å; P81-S84 PolarHBondContact O-OG 3.37Å; A82-S84 PolarHBondContact O-N 3.38Å; S84-F86 PolarHBondContact O-N 3.07Å; S84-L87 WeakPolarHBondContact O-CB 3.12Å; S84-L87 PolarHBondContact O-N 3.31Å; S84-I88 WeakPolarHBondContact O-CD1 3.29Å; S84-I88 WeakPolarHBondContact O-CG1 3.29Å; S84-I88 PolarHBondContact O-N 3.2Å; S84-I88 VanDerWaalsContact O-N 3.13Å; S84-I88 WeakPolarHBondContact OG-CD1 3.39Å
85R96.8Very high92.7Very high192 Ų19275.4 Ų75.473%0.72539%0.389SS*.Hα-helixtrans-59.2-49.3-171.5-175.4177.7-17888.40.1112.1A82 Y83 L87 I88 T89A82-R85 VanDerWaalsContact O-CB 3.24Å; A82-R85 WeakPolarHBondContact O-CB 3.43Å; A82-R85 PolarHBondContact O-N 3.18Å; A82-R85 VanDerWaalsContact O-N 3.09Å; Y83-R85 VanDerWaalsContact C-N 3.27Å; Y83-R85 PolarHBondContact O-N 3.37Å; R85-L87 VanDerWaalsContact C-N 3.33Å; R85-L87 PolarHBondContact O-N 2.88Å; R85-I88 PolarHBondContact O-N 2.95Å; R85-T89 PolarHBondContact O-N 3.23Å; R85-T89 PolarHBondContact O-OG1 3.04Å
86F96.5Very high93.3Very high56 Ų5679.5 Ų79.525%0.24640%0.396CS..Hα-helixtrans-66.6-36.7-176.782.9-83.1000111.8I32 E36 M39 L40 Y83 S84 I88 T89 R90I32-F86 HydrophobicContact CG2-CE2 4.34Å; E36-F86 HydrophobicContact CB-CE2 4.4Å; E36-F86 HydrophobicContact CB-CZ 4.29Å; E36-F86 HydrophobicContact CG-CE2 4.3Å; M39-F86 HydrophobicContact CE-CD1 4.43Å; M39-F86 HydrophobicContact CE-CE1 3.6Å; M39-F86 HydrophobicContact CE-CZ 4.06Å; L40-F86 HydrophobicContact CD1-CZ 4.05Å; L40-F86 HydrophobicContact CD2-CE1 3.84Å; L40-F86 HydrophobicContact CD2-CZ 4.21Å; L40-F86 HydrophobicContact CG-CE1 4.22Å; L40-F86 HydrophobicContact CG-CZ 4.15Å; Y83-F86 WeakPolarHBondContact O-CD1 3.48Å; Y83-F86 WeakPolarHBondContact O-CE1 3.37Å; S84-F86 PolarHBondContact O-N 3.07Å; F86-I88 PolarHBondContact O-N 3.08Å; F86-T89 PolarHBondContact O-N 3.4Å; F86-R90 VanDerWaalsContact O-CB 3.31Å; F86-R90 WeakPolarHBondContact O-CB 3.36Å; F86-R90 PolarHBondContact O-N 2.81Å
87L97.3Very high93.6Very high41 Ų4184.5 Ų84.522%0.21541%0.407CS..Hα-helixtrans-58.7-48.2174.9-62.4174.4000111.1F31 I32 L40 S84 R85 R90 Y91F31-L87 HydrophobicContact CD1-CD2 4.47Å; F31-L87 HydrophobicContact CE1-CD2 3.95Å; I32-L87 HydrophobicContact CG2-CD2 3.4Å; L40-L87 HydrophobicContact CD1-CD1 4.12Å; L40-L87 HydrophobicContact CD1-CD2 4.25Å; L40-L87 HydrophobicContact CD2-CD1 3.96Å; S84-L87 WeakPolarHBondContact O-CB 3.12Å; S84-L87 PolarHBondContact O-N 3.31Å; R85-L87 VanDerWaalsContact C-N 3.33Å; R85-L87 PolarHBondContact O-N 2.88Å; L87-R90 PolarHBondContact O-N 2.73Å; L87-Y91 VanDerWaalsContact O-CB 3.28Å; L87-Y91 WeakPolarHBondContact O-CB 3.47Å; L87-Y91 PolarHBondContact O-N 2.82Å
88I95.9Very high93.3Very high65 Ų6582 Ų8233%0.33340%0.396SS..Hα-helixtrans-66-43.8-179.4-64.4161000110.8L80 S84 R85 F86 Y91 N92L80-I88 HydrophobicContact CD1-CD1 3.46Å; L80-I88 VanDerWaalsContact CD1-CD1 3.46Å; S84-I88 WeakPolarHBondContact O-CD1 3.29Å; S84-I88 WeakPolarHBondContact O-CG1 3.29Å; S84-I88 PolarHBondContact O-N 3.2Å; S84-I88 VanDerWaalsContact O-N 3.13Å; S84-I88 WeakPolarHBondContact OG-CD1 3.39Å; R85-I88 PolarHBondContact O-N 2.95Å; F86-I88 PolarHBondContact O-N 3.08Å; I88-Y91 PolarHBondContact O-N 2.83Å; I88-N92 WeakPolarHBondContact CG2-ND2 3.12Å; I88-N92 WeakPolarHBondContact O-CB 3.39Å; I88-N92 PolarHBondContact O-N 3.44Å; I88-N92 PolarHBondContact O-ND2 3.43Å
89T96.8Very high92.9Very high68 Ų6878.4 Ų78.442%0.41739%0.386SS..Hα-helixtrans-59-51.1176-64.90000110.8R85 F86 Y91 N92 D93R85-T89 PolarHBondContact O-N 3.23Å; R85-T89 PolarHBondContact O-OG1 3.04Å; F86-T89 PolarHBondContact O-N 3.4Å; T89-Y91 VanDerWaalsContact C-N 3.35Å; T89-Y91 PolarHBondContact O-N 2.95Å; T89-N92 PolarHBondContact O-N 3.45Å; T89-D93 VanDerWaalsContact O-CG 3.3Å; T89-D93 PolarHBondContact O-N 3.18Å
90R96.8Very high92Very high74 Ų7484 Ų8428%0.27941%0.408SS..Hα-helixtrans-58.2-46.3178.4-176.3-178.9-63.8154.64.9111.7F31 E36 F86 L87 D93 L94F31-R90 HydrophobicContact CD2-CG 4.47Å; F31-R90 HydrophobicContact CE2-CB 4.28Å; F31-R90 HydrophobicContact CE2-CG 3.67Å; F31-R90 HydrophobicContact CZ-CB 3.98Å; F31-R90 HydrophobicContact CZ-CG 3.85Å; F31-R90 WeakPolarHBondContact O-CD 3.37Å; F31-R90 PolarHBondContact O-NH1 3.25Å; E36-R90 IonicContact OE1-CZ 2.63Å; E36-R90 IonicContact OE1-NH1 2.72Å; E36-R90 PolarHBondContact OE1-NH1 2.88Å; E36-R90 IonicContact OE1-NH2 2.73Å; E36-R90 PolarHBondContact OE1-NH2 3.43Å; E36-R90 IonicContact OE2-CZ 3.46Å; E36-R90 IonicContact OE2-NH1 3.42Å; E36-R90 PolarHBondContact OE2-NH1 3.38Å; E36-R90 IonicContact OE2-NH2 2.63Å; E36-R90 PolarHBondContact OE2-NH2 2.99Å; F86-R90 VanDerWaalsContact O-CB 3.31Å; F86-R90 WeakPolarHBondContact O-CB 3.36Å; F86-R90 PolarHBondContact O-N 2.81Å; L87-R90 PolarHBondContact O-N 2.73Å; R90-D93 PolarHBondContact O-N 2.8Å; R90-L94 WeakPolarHBondContact O-CG 3.47Å; R90-L94 PolarHBondContact O-N 2.97Å
91Y94.8Very high90.7Very high122 Ų12283.3 Ų83.348%0.47841%0.412SS..Hα-helixtrans-59-49.1177.3173.2-105.4000112L87 I88 T89 D93 L94 I95L87-Y91 VanDerWaalsContact O-CB 3.28Å; L87-Y91 WeakPolarHBondContact O-CB 3.47Å; L87-Y91 PolarHBondContact O-N 2.82Å; I88-Y91 PolarHBondContact O-N 2.83Å; T89-Y91 VanDerWaalsContact C-N 3.35Å; T89-Y91 PolarHBondContact O-N 2.95Å; Y91-D93 VanDerWaalsContact C-N 3.31Å; Y91-D93 PolarHBondContact O-N 2.87Å; Y91-L94 PolarHBondContact O-N 2.78Å; Y91-I95 HydrophobicContact CD1-CD1 3.99Å; Y91-I95 HydrophobicContact CD2-CD1 4.23Å; Y91-I95 HydrophobicContact CE1-CD1 3.34Å; Y91-I95 HydrophobicContact CE1-CG1 4.48Å; Y91-I95 HydrophobicContact CE2-CD1 3.6Å; Y91-I95 HydrophobicContact CE2-CG1 4.27Å; Y91-I95 HydrophobicContact CG-CD1 4.42Å; Y91-I95 PolarHBondContact O-N 2.72Å; Y91-I95 VanDerWaalsContact OH-CD1 3.27Å; Y91-I95 WeakPolarHBondContact OH-CD1 3.4Å
92N95Very high88.9Confident70 Ų7086.3 Ų86.337%0.37443%0.433SS..Hα-helixtrans-62.4-38.4179.1-73.2-26.5000112.3I88 T89 I95 K96I88-N92 WeakPolarHBondContact CG2-ND2 3.12Å; I88-N92 WeakPolarHBondContact O-CB 3.39Å; I88-N92 PolarHBondContact O-N 3.44Å; I88-N92 PolarHBondContact O-ND2 3.43Å; T89-N92 PolarHBondContact O-N 3.45Å; N92-I95 PolarHBondContact O-N 3.36Å; N92-K96 WeakPolarHBondContact O-CB 3.21Å; N92-K96 VanDerWaalsContact O-CG 3.29Å; N92-K96 WeakPolarHBondContact O-CG 3.41Å; N92-K96 PolarHBondContact O-N 3.36Å
93D95.7Very high86.6Confident70 Ų7091.5 Ų91.537%0.37446%0.459SS..Hα-helixtrans-68.4-38178-70-17.7000111.9T89 R90 Y91 K97T89-D93 VanDerWaalsContact O-CG 3.3Å; T89-D93 PolarHBondContact O-N 3.18Å; R90-D93 PolarHBondContact O-N 2.8Å; Y91-D93 VanDerWaalsContact C-N 3.31Å; Y91-D93 PolarHBondContact O-N 2.87Å; D93-K97 VanDerWaalsContact O-CG 3.28Å; D93-K97 WeakPolarHBondContact O-CG 3.42Å; D93-K97 PolarHBondContact O-N 2.77Å; D93-K97 VanDerWaalsContact O-N 3.07Å
94L92.3Very high86.1Confident54 Ų5494.4 Ų94.428%0.28348%0.476SS..Hα-helixtrans-63.2-43.6172.7-70.5-178.9000111.7I28 F31 R90 Y91 K97 K98I28-L94 HydrophobicContact CD1-CD1 3.96Å; I28-L94 HydrophobicContact CG2-CD1 4.27Å; F31-L94 HydrophobicContact CD2-CD1 3.86Å; F31-L94 HydrophobicContact CE2-CD1 3.62Å; R90-L94 WeakPolarHBondContact O-CG 3.47Å; R90-L94 PolarHBondContact O-N 2.97Å; Y91-L94 PolarHBondContact O-N 2.78Å; L94-K97 PolarHBondContact O-N 2.69Å; L94-K98 WeakPolarHBondContact O-CG 3.43Å; L94-K98 PolarHBondContact O-N 2.84Å; L94-K98 VanDerWaalsContact O-N 3.11Å
95I89.2Confident85.6Confident57 Ų5798.5 Ų98.529%0.29250%0.495SS..Hα-helixtrans-63.8-45.8178.2-74.6-176.5000111.6Y91 N92 K97 K98 H99Y91-I95 HydrophobicContact CD1-CD1 3.99Å; Y91-I95 HydrophobicContact CD2-CD1 4.23Å; Y91-I95 HydrophobicContact CE1-CD1 3.34Å; Y91-I95 HydrophobicContact CE1-CG1 4.48Å; Y91-I95 HydrophobicContact CE2-CD1 3.6Å; Y91-I95 HydrophobicContact CE2-CG1 4.27Å; Y91-I95 HydrophobicContact CG-CD1 4.42Å; Y91-I95 PolarHBondContact O-N 2.72Å; Y91-I95 VanDerWaalsContact OH-CD1 3.27Å; Y91-I95 WeakPolarHBondContact OH-CD1 3.4Å; N92-I95 PolarHBondContact O-N 3.36Å; I95-K97 PolarHBondContact O-N 3.3Å; I95-K98 PolarHBondContact O-N 3.33Å; I95-K98 VanDerWaalsContact O-N 3.17Å; I95-H99 PolarHBondContact O-CD2 3.01Å; I95-H99 PolarHBondContact O-N 2.97Å
96K91.4Very high85Confident125 Ų12593.3 Ų93.354%0.54348%0.482SS..Hα-helixtrans-59.4-46.4177.8-74.9171.6-175.4172.60111.7N92 K98 H99 I100N92-K96 WeakPolarHBondContact O-CB 3.21Å; N92-K96 VanDerWaalsContact O-CG 3.29Å; N92-K96 WeakPolarHBondContact O-CG 3.41Å; N92-K96 PolarHBondContact O-N 3.36Å; K96-K98 VanDerWaalsContact C-N 3.25Å; K96-K98 PolarHBondContact O-N 2.94Å; K96-H99 PolarHBondContact O-N 2.78Å; K96-I100 WeakPolarHBondContact O-CB 3.32Å; K96-I100 WeakPolarHBondContact O-CD1 3.18Å; K96-I100 VanDerWaalsContact O-CG1 3.28Å; K96-I100 WeakPolarHBondContact O-CG1 3.5Å; K96-I100 PolarHBondContact O-N 3.21Å
97K88.1Confident84.3Confident143 Ų14395.5 Ų95.562%0.62250%0.496SS*.Hα-helixtrans-56.6-41.8176.4-74.5172.3-177.1177.30111.3D93 L94 I95 S101D93-K97 VanDerWaalsContact O-CG 3.28Å; D93-K97 WeakPolarHBondContact O-CG 3.42Å; D93-K97 PolarHBondContact O-N 2.77Å; D93-K97 VanDerWaalsContact O-N 3.07Å; L94-K97 PolarHBondContact O-N 2.69Å; I95-K97 PolarHBondContact O-N 3.3Å; K97-S101 WeakPolarHBondContact O-CB 3.36Å; K97-S101 PolarHBondContact O-N 3.49Å; K97-S101 PolarHBondContact O-OG 3.25Å
98K81.6Confident83.5Confident78 Ų7898.9 Ų98.934%0.33951%0.513SS..Hα-helixtrans-66.8-46.2178.4-73.5-171.1-175.4-174.70113.3E26 L94 I95 K96 I100 S101 S102E26-K98 IonicContact OE1-NZ 2.6Å; E26-K98 PolarHBondContact OE1-NZ 3.45Å; E26-K98 IonicContact OE2-NZ 2.72Å; E26-K98 PolarHBondContact OE2-NZ 3.21Å; L94-K98 WeakPolarHBondContact O-CG 3.43Å; L94-K98 PolarHBondContact O-N 2.84Å; L94-K98 VanDerWaalsContact O-N 3.11Å; I95-K98 PolarHBondContact O-N 3.33Å; I95-K98 VanDerWaalsContact O-N 3.17Å; K96-K98 VanDerWaalsContact C-N 3.25Å; K96-K98 PolarHBondContact O-N 2.94Å; K98-I100 VanDerWaalsContact C-N 3.3Å; K98-I100 PolarHBondContact O-N 3.15Å; K98-S101 WeakPolarHBondContact CA-OG 3.45Å; K98-S101 PolarHBondContact O-N 3.04Å; K98-S101 PolarHBondContact O-OG 3.44Å; K98-S102 PolarHBondContact O-N 3.38Å; K98-S102 VanDerWaalsContact O-N 3.15Å; K98-S102 PolarHBondContact O-OG 3.03Å
99H79.1Confident82.7Confident144 Ų144101.1 Ų101.167%0.66753%0.525SS*.Hα-helixtrans-64-35.6177.6-83.6-73.8000112.7I95 K96 S101I95-H99 PolarHBondContact O-CD2 3.01Å; I95-H99 PolarHBondContact O-N 2.97Å; K96-H99 PolarHBondContact O-N 2.78Å; H99-S101 VanDerWaalsContact C-N 3.35Å
100I73.2Confident81.7Confident145 Ų145103.5 Ų103.574%0.74453%0.533SS*.Hα-helixtrans-71.9-31.3176.1-66.1162.8000111.3K96 K98K96-I100 WeakPolarHBondContact O-CB 3.32Å; K96-I100 WeakPolarHBondContact O-CD1 3.18Å; K96-I100 VanDerWaalsContact O-CG1 3.28Å; K96-I100 WeakPolarHBondContact O-CG1 3.5Å; K96-I100 PolarHBondContact O-N 3.21Å; K98-I100 VanDerWaalsContact C-N 3.3Å; K98-I100 PolarHBondContact O-N 3.15Å
101S64.8Low80.5Confident88 Ų88105.8 Ų105.862%0.61555%0.553SS**Hα-helixtrans-84-4.3178.762.90000115K97 K98 H99K97-S101 WeakPolarHBondContact O-CB 3.36Å; K97-S101 PolarHBondContact O-N 3.49Å; K97-S101 PolarHBondContact O-OG 3.25Å; K98-S101 WeakPolarHBondContact CA-OG 3.45Å; K98-S101 PolarHBondContact O-N 3.04Å; K98-S101 PolarHBondContact O-OG 3.44Å; H99-S101 VanDerWaalsContact C-N 3.35Å
102S55.8Low79.3Confident79 Ų79104.4 Ų104.455%0.55256%0.559SS**  trans-84120.3173.1-68.60000109.2K98K98-S102 PolarHBondContact O-N 3.38Å; K98-S102 VanDerWaalsContact O-N 3.15Å; K98-S102 PolarHBondContact O-OG 3.03Å
103P46Very low77.9Confident200 Ų200107.5 Ų107.5100%1.29958%0.576SS**  trans-65.10178.826.6-32.8000113.2

Retrieved 103 of 103 residues in 102.5 ms (Link to these results)