A0A077ZLR7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZLR7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 148 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
1P43.1Very low59.4Low171 Ų171111.6 Ų111.6100%1.1159%0.59SS**  0109.6024-2.7000111.7
2V53.8Low60.9Low146 Ų146113.4 Ų113.489%0.88558%0.583SS**  trans-115.784.9173-90.80000108.5
3T52Low62.6Low126 Ų126106.2 Ų106.277%0.77354%0.544SS*.  trans-118.411-176.449.20000114.2T5T3-T5 PolarHBondContact O-N 3.43Å
4S55.6Low64Low73 Ų73105.1 Ų105.151%0.5154%0.54SS..  trans-87.34.5-171.7-53.10000116.4N6 D8S4-N6 PolarHBondContact O-N 3.41Å; S4-D8 WeakPolarHBondContact CB-OD2 3.23Å; S4-D8 VanDerWaalsContact O-CG 3.27Å; S4-D8 PolarHBondContact O-N 2.8Å
5T62.1Low65.4Low75 Ų75103.6 Ų103.646%0.4654%0.537SS..Hα-helixtrans-67.9-38-159.955.20000114.4T3 G43T3-T5 PolarHBondContact O-N 3.43Å; T5-G43 WeakPolarHBondContact O-CA 3.42Å
6N58.3Low66.8Low72 Ų72103.8 Ų103.839%0.38554%0.544SS..Hα-helixtrans-81.2-35.2-173-69.5-24.9000113.9S4 R10 S42 G43S4-N6 PolarHBondContact O-N 3.41Å; N6-R10 PolarHBondContact O-N 2.82Å; N6-S42 VanDerWaalsContact OD1-CA 3.23Å; N6-S42 WeakPolarHBondContact OD1-CA 3.1Å; N6-G43 PolarHBondContact OD1-N 3.1Å
7Q60.7Low68Low138 Ų138100 Ų10065%0.64552%0.524SS*.Hα-helixtrans-72.4-37.7178.9-67.3-173.3-2.500111.5I9 R10 R11Q7-I9 PolarHBondContact O-N 3.31Å; Q7-R10 PolarHBondContact O-N 3.24Å; Q7-R11 WeakPolarHBondContact O-CG 2.9Å; Q7-R11 PolarHBondContact O-N 3.32Å; Q7-R11 VanDerWaalsContact O-N 3.1Å
8D66.5Low69.3Low69 Ų6997.8 Ų97.837%0.36951%0.511SS..Hα-helixtrans-66.6-21.5-180-70.5-16.9000113.3S4 R12S4-D8 WeakPolarHBondContact CB-OD2 3.23Å; S4-D8 VanDerWaalsContact O-CG 3.27Å; S4-D8 PolarHBondContact O-N 2.8Å; D8-R12 PolarHBondContact O-NE 2.91Å
9I67.3Low70.5Confident2 Ų292.7 Ų92.71%0.0148%0.484CS..Hα-helixtrans-89.3-37.5175.9-68.4-137.4000112.2Q7 R11 R12 Y13 V40 G43 V46 V55Q7-I9 PolarHBondContact O-N 3.31Å; I9-R11 PolarHBondContact O-N 3.3Å; I9-R12 CarbonylContact O-C 3.59Å; I9-R12 WeakPolarHBondContact O-CA 3.43Å; I9-R12 PolarHBondContact O-N 2.86Å; I9-Y13 HydrophobicContact CG2-CD2 4.04Å; I9-Y13 PolarHBondContact O-N 2.98Å; I9-V40 HydrophobicContact CB-CG1 4.45Å; I9-V40 HydrophobicContact CG2-CG1 3.6Å; I9-G43 VanDerWaalsContact CD1-CA 3.43Å; I9-G43 WeakPolarHBondContact CD1-O 3.43Å; I9-G43 VanDerWaalsContact CG1-CA 3.5Å; I9-V46 HydrophobicContact CG2-CG2 4.06Å; I9-V55 HydrophobicContact CD1-CB 4.28Å; I9-V55 HydrophobicContact CD1-CG1 4.13Å; I9-V55 HydrophobicContact CD1-CG2 3.41Å; I9-V55 VanDerWaalsContact CD1-CG2 3.41Å
10R64.7Low71.5Confident153 Ų15392.6 Ų92.658%0.57748%0.477SS*.Hα-helixtrans-59.6-26.3169.2-71.7178.4173.5156.2-0.5112.4N6 Q7 R12 N14 V40N6-R10 PolarHBondContact O-N 2.82Å; Q7-R10 PolarHBondContact O-N 3.24Å; R10-R12 VanDerWaalsContact C-N 3.32Å; R10-N14 PolarHBondContact O-OD1 3.21Å; R10-V40 HydrophobicContact CG-CB 4.42Å; R10-V40 HydrophobicContact CG-CG1 4.13Å
11R69.1Low72.5Confident203 Ų20388.2 Ų88.277%0.76646%0.455SS*.THydrogen-bonded Turntrans-75.2-16.8170.6-70.5-179.5-178.9-157.21.7114.1Q7 I9Q7-R11 WeakPolarHBondContact O-CG 2.9Å; Q7-R11 PolarHBondContact O-N 3.32Å; Q7-R11 VanDerWaalsContact O-N 3.1Å; I9-R11 PolarHBondContact O-N 3.3Å
12R78Confident74.7Confident133 Ų13385.4 Ų85.450%0.50242%0.422SS..THydrogen-bonded Turntrans-106-33.2-175.6-79.2-174.9-85.6-165.9-4.1113.9D8 I9 R10 R60D8-R12 PolarHBondContact O-NE 2.91Å; I9-R12 CarbonylContact O-C 3.59Å; I9-R12 WeakPolarHBondContact O-CA 3.43Å; I9-R12 PolarHBondContact O-N 2.86Å; R10-R12 VanDerWaalsContact C-N 3.32Å; R12-R60 WeakPolarHBondContact O-CD 3.45Å; R12-R60 PolarHBondContact O-NE 3.43Å
13Y82.2Confident76.3Confident19 Ų1979.9 Ų79.98%0.07539%0.389CS..  trans-131123.8178.3-57.6-86.9000108.9I9 V19 V46 V55 I58 R60I9-Y13 HydrophobicContact CG2-CD2 4.04Å; I9-Y13 PolarHBondContact O-N 2.98Å; Y13-V19 HydrophobicContact CD1-CG1 4.11Å; Y13-V19 HydrophobicContact CE1-CG1 4.25Å; Y13-V46 HydrophobicContact CD2-CG2 4.36Å; Y13-V55 HydrophobicContact CE2-CG1 3.77Å; Y13-I58 HydrophobicContact CD1-CG2 4.34Å; Y13-I58 HydrophobicContact CE1-CB 4.39Å; Y13-I58 HydrophobicContact CE1-CG2 3.64Å; Y13-I58 PolarHBondContact OH-O 3.26Å; Y13-R60 HydrophobicContact CD1-CG 4.26Å; Y13-R60 HydrophobicContact CE1-CG 3.82Å
14N82.9Confident77.7Confident92 Ų9280 Ų8049%0.49239%0.392SS..  trans-95.4153.8170-60.1-40.3000109.8R10 V16 D17 V37R10-N14 PolarHBondContact O-OD1 3.21Å; N14-V16 PolarHBondContact O-N 2.87Å; N14-D17 PolarHBondContact N-OD2 3.13Å; N14-D17 VanDerWaalsContact O-CB 3.3Å; N14-D17 WeakPolarHBondContact O-CB 3.3Å; N14-D17 PolarHBondContact O-N 2.91Å; N14-D17 VanDerWaalsContact O-N 3.12Å; N14-V37 WeakPolarHBondContact O-CB 3.49Å
15V84.9Confident78.8Confident82 Ų8281.1 Ų81.150%0.49741%0.406SS..THydrogen-bonded Turntrans-61.3136.9167.5-177.40000107.7D17 T38V15-D17 VanDerWaalsContact C-N 3.33Å; V15-T38 VanDerWaalsContact CG1-O 3.28Å; V15-T38 WeakPolarHBondContact CG1-O 3.41Å
16V87.8Confident79.3Confident107 Ų10779.2 Ų79.265%0.64840%0.401SS*.THydrogen-bonded Turntrans77.65.7-173-159.70000114.8N14 E18 T36 V37N14-V16 PolarHBondContact O-N 2.87Å; V16-E18 PolarHBondContact O-N 2.94Å; V16-T36 HydrophobicContact CG1-CG2 4.44Å; V16-V37 PolarHBondContact N-O 2.98Å
17D87.8Confident80.4Confident39 Ų3985.7 Ų85.721%0.20942%0.42CS..  trans-70.3132.7170.5-79.2-7.6000111.1N14 V15 V37N14-D17 PolarHBondContact N-OD2 3.13Å; N14-D17 VanDerWaalsContact O-CB 3.3Å; N14-D17 WeakPolarHBondContact O-CB 3.3Å; N14-D17 PolarHBondContact O-N 2.91Å; N14-D17 VanDerWaalsContact O-N 3.12Å; V15-D17 VanDerWaalsContact C-N 3.33Å; D17-V37 HydrophobicContact CB-CG2 4.44Å; D17-V37 PolarHBondContact O-N 3.25Å
18E90.2Very high81.3Confident60 Ų6085.6 Ų85.628%0.2843%0.433SS..EExtended strand (participates in β ladder)trans-77.9129.2171.8-68.6175.7-171.100110.6V16 R61 R67V16-E18 PolarHBondContact O-N 2.94Å; E18-R61 HydrophobicContact CB-CB 4.25Å; E18-R61 WeakPolarHBondContact O-CB 3.43Å; E18-R61 PolarHBondContact O-N 3.08Å; E18-R61 WeakPolarHBondContact OE2-CD 3.03Å; E18-R61 IonicContact OE2-CZ 3.7Å; E18-R61 IonicContact OE2-NE 3.91Å; E18-R61 IonicContact OE2-NH1 2.74Å; E18-R61 PolarHBondContact OE2-NH1 3.46Å; E18-R67 IonicContact OE1-CZ 3.75Å; E18-R67 IonicContact OE1-NH1 2.62Å; E18-R67 PolarHBondContact OE1-NH1 3.44Å; E18-R67 IonicContact OE2-NH1 3.91Å
19V91.6Very high82.2Confident1 Ų189.6 Ų89.61%0.00646%0.455CS..EExtended strand (participates in β ladder)trans-134.8147.6-174.2-65.40000112.2Y13 I21 G35 V37 V48 I58 R59Y13-V19 HydrophobicContact CD1-CG1 4.11Å; Y13-V19 HydrophobicContact CE1-CG1 4.25Å; V19-I21 HydrophobicContact CG2-CG1 4.28Å; V19-G35 WeakPolarHBondContact CG2-O 3.46Å; V19-G35 PolarHBondContact N-O 2.84Å; V19-G35 PolarHBondContact O-N 3.17Å; V19-V37 HydrophobicContact CG1-CG2 3.84Å; V19-V37 HydrophobicContact CG2-CG2 4.04Å; V19-V48 HydrophobicContact CG2-CG1 3.94Å; V19-V48 HydrophobicContact CG2-CG2 4.26Å; V19-I58 HydrophobicContact CB-CG2 3.5Å; V19-I58 HydrophobicContact CG1-CG2 3.7Å; V19-I58 HydrophobicContact CG2-CG2 3.72Å; V19-R59 CarbonylContact C-O 3.56Å; V19-R59 WeakPolarHBondContact CA-O 3.26Å
20W92.2Very high83.1Confident91 Ų9192.3 Ų92.335%0.34547%0.471SS..EExtended strand (participates in β ladder)trans-88.6124.6169.1-69.4117.6000110Y32 E33 E34 I58 R59W20-Y32 HydrophobicContact CB-CD1 4.28Å; W20-Y32 HydrophobicContact CB-CG 4.43Å; W20-E33 CarbonylContact C-O 3.51Å; W20-E33 WeakPolarHBondContact CA-O 3.28Å; W20-E34 HydrophobicContact CE3-CB 4.26Å; W20-E34 HydrophobicContact CH2-CB 4.48Å; W20-E34 HydrophobicContact CZ3-CB 3.83Å; W20-I58 CarbonylContact O-C 3.54Å; W20-R59 HydrophobicContact CB-CB 4.16Å; W20-R59 PolarHBondContact N-O 3.11Å; W20-R59 PolarHBondContact O-N 3.1Å
21I91.1Very high84.3Confident1 Ų195.8 Ų95.81%0.00549%0.485CS..EExtended strand (participates in β ladder)trans-109130.4-172.8-49.8171000109.9V19 Y32 E33 V48 D57V19-I21 HydrophobicContact CG2-CG1 4.28Å; I21-Y32 CarbonylContact O-C 3.59Å; I21-Y32 VanDerWaalsContact O-CA 3.26Å; I21-Y32 WeakPolarHBondContact O-CA 3.49Å; I21-E33 HydrophobicContact CB-CB 4.34Å; I21-E33 PolarHBondContact N-O 3.12Å; I21-E33 PolarHBondContact O-N 3.47Å; I21-V48 HydrophobicContact CD1-CB 4.27Å; I21-V48 HydrophobicContact CD1-CG1 3.39Å; I21-V48 HydrophobicContact CG1-CG1 4.08Å; I21-D57 CarbonylContact C-O 3.56Å; I21-D57 WeakPolarHBondContact CA-O 3.38Å
22R90.2Very high85.2Confident111 Ų11189.8 Ų89.842%0.41946%0.463SS..  trans-76.3126.9170.4179.3176.5-73.4-159.3-4.5109.5Y32 R53 D57R22-Y32 HydrophobicContact CB-CD1 4.19Å; R22-Y32 HydrophobicContact CB-CE1 3.85Å; R22-Y32 PolarHBondContact NH2-OH 3.24Å; R22-R53 PolarHBondContact O-NH1 2.85Å; R22-D57 HydrophobicContact CB-CB 4.06Å; R22-D57 WeakPolarHBondContact CB-O 3.18Å; R22-D57 PolarHBondContact N-O 2.95Å
23P87.3Confident85.8Confident31 Ų3188.4 Ų88.420%0.20146%0.462CS..  trans-67.1139.6173.125.3-31.7000110.8A25 G26P23-A25 PolarHBondContact O-N 3.34Å; P23-G26 PolarHBondContact O-N 3.14Å; P23-G26 VanDerWaalsContact O-N 3.11Å
24P81.5Confident86.2Confident127 Ų12791.8 Ų91.883%0.82548%0.478SS*.THydrogen-bonded Turntrans-65.8-24.7-172.925.4-34.6000113.7
25A79Confident86.6Confident97 Ų9787.6 Ų87.680%0.80246%0.457SS*.THydrogen-bonded Turntrans-109.724.4177.400000112.8P23 R27P23-A25 PolarHBondContact O-N 3.34Å; A25-R27 PolarHBondContact O-N 3.02Å
26G72.5Confident87Confident36 Ų3686.1 Ų86.137%0.37145%0.448SS..  trans-64122.2-174.100000114P23 T30P23-G26 PolarHBondContact O-N 3.14Å; P23-G26 VanDerWaalsContact O-N 3.11Å; G26-T30 WeakPolarHBondContact CA-OG1 3.38Å
27R80.7Confident87.2Confident207 Ų20781 Ų8178%0.78142%0.417SS*.  trans-68.8166.1159.9-65.7-170.5177.2-154.11.5109.6A25 D29 T30A25-R27 PolarHBondContact O-N 3.02Å; R27-D29 PolarHBondContact O-N 2.89Å; R27-T30 HydrophobicContact CB-CG2 4.22Å; R27-T30 VanDerWaalsContact N-CG2 3.34Å; R27-T30 PolarHBondContact N-OG1 2.87Å; R27-T30 WeakPolarHBondContact O-CB 3.38Å; R27-T30 PolarHBondContact O-N 3.25Å; R27-T30 PolarHBondContact O-OG1 3.42Å
28C80Confident87.4Confident136 Ų13681.8 Ų81.892%0.91942%0.424SS*.THydrogen-bonded Turntrans-56.7-22-179.8-64.80000113.5
29D85.3Confident87.3Confident153 Ų15382.5 Ų82.582%0.81843%0.429SS*.THydrogen-bonded Turntrans-97.11.3-178.9-44.9-43.4000113.4R27R27-D29 PolarHBondContact O-N 2.89Å
30T86.4Confident87.1Confident59 Ų5983.1 Ų83.136%0.36243%0.433SS..PPolyproline II helixtrans-74.4133.4-179.655.50000111.2G26 R27G26-T30 WeakPolarHBondContact CA-OG1 3.38Å; R27-T30 HydrophobicContact CB-CG2 4.22Å; R27-T30 VanDerWaalsContact N-CG2 3.34Å; R27-T30 PolarHBondContact N-OG1 2.87Å; R27-T30 WeakPolarHBondContact O-CB 3.38Å; R27-T30 PolarHBondContact O-N 3.25Å; R27-T30 PolarHBondContact O-OG1 3.42Å
31R88.7Confident86.7Confident227 Ų22782.7 Ų82.786%0.85744%0.437SS*.PPolyproline II helixtrans-72.6150.1175.3-66.5-175.9-179.3173.60.3109.9
32Y89.9Confident86.3Confident77 Ų7784.7 Ų84.730%0.30245%0.451SS..PPolyproline II helixtrans-71.9140.4169.9-70.9-109.9000108.6W20 I21 R22 R59W20-Y32 HydrophobicContact CB-CD1 4.28Å; W20-Y32 HydrophobicContact CB-CG 4.43Å; I21-Y32 CarbonylContact O-C 3.59Å; I21-Y32 VanDerWaalsContact O-CA 3.26Å; I21-Y32 WeakPolarHBondContact O-CA 3.49Å; R22-Y32 HydrophobicContact CB-CD1 4.19Å; R22-Y32 HydrophobicContact CB-CE1 3.85Å; R22-Y32 PolarHBondContact NH2-OH 3.24Å; Y32-R59 HydrophobicContact CE1-CG 4.26Å; Y32-R59 PolarHBondContact OH-NE 2.76Å
33E89.7Confident85.9Confident103 Ų10380.1 Ų80.148%0.48144%0.438SS..EExtended strand (participates in β ladder)trans-85.4150.5175.1-178.7172.6-147.500109.5W20 I21 R53W20-E33 CarbonylContact C-O 3.51Å; W20-E33 WeakPolarHBondContact CA-O 3.28Å; I21-E33 HydrophobicContact CB-CB 4.34Å; I21-E33 PolarHBondContact N-O 3.12Å; I21-E33 PolarHBondContact O-N 3.47Å; E33-R53 IonicContact OE2-NH2 3.43Å; E33-R53 PolarHBondContact OE2-NH2 3.3Å
34E91.2Very high85.9Confident90 Ų9084.6 Ų84.642%0.42146%0.456SS..EExtended strand (participates in β ladder)trans-90.3141.4174-174.7174.3156.300109.2W20 R61W20-E34 HydrophobicContact CE3-CB 4.26Å; W20-E34 HydrophobicContact CH2-CB 4.48Å; W20-E34 HydrophobicContact CZ3-CB 3.83Å; E34-R61 IonicContact OE1-CZ 3.52Å; E34-R61 IonicContact OE1-NH1 2.67Å; E34-R61 PolarHBondContact OE1-NH1 3.21Å; E34-R61 IonicContact OE1-NH2 3.66Å; E34-R61 IonicContact OE2-CZ 3.4Å; E34-R61 IonicContact OE2-NH1 3.34Å; E34-R61 PolarHBondContact OE2-NH1 3.09Å; E34-R61 IonicContact OE2-NH2 2.87Å; E34-R61 PolarHBondContact OE2-NH2 3.23Å
35G91.3Very high86.2Confident5 Ų579.9 Ų79.95%0.05243%0.429CS..EExtended strand (participates in β ladder)trans-161.6175.6166.400000113.3V19 D49V19-G35 WeakPolarHBondContact CG2-O 3.46Å; V19-G35 PolarHBondContact N-O 2.84Å; V19-G35 PolarHBondContact O-N 3.17Å; G35-D49 WeakPolarHBondContact CA-OD2 3.47Å
36T92.7Very high86.7Confident50 Ų5075.3 Ų75.331%0.30739%0.39SS..EExtended strand (participates in β ladder)trans-116.4131.8-172.5-54.10000110.7V16 T38 V48 D49V16-T36 HydrophobicContact CG1-CG2 4.44Å; T36-T38 PolarHBondContact O-N 3.19Å; T36-T38 VanDerWaalsContact O-N 3.12Å; T36-V48 WeakPolarHBondContact O-CA 3.35Å; T36-V48 WeakPolarHBondContact O-CG1 3.32Å; T36-D49 PolarHBondContact N-OD1 2.8Å; T36-D49 PolarHBondContact O-N 2.78Å
37V91.3Very high87.7Confident1 Ų175.8 Ų75.81%0.00638%0.383CS..EExtended strand (participates in β ladder)trans-66.1112.7176.1175.50000109.6N14 V16 D17 V19 V40 V46 E47 V48N14-V37 WeakPolarHBondContact O-CB 3.49Å; V16-V37 PolarHBondContact N-O 2.98Å; D17-V37 HydrophobicContact CB-CG2 4.44Å; D17-V37 PolarHBondContact O-N 3.25Å; V19-V37 HydrophobicContact CG1-CG2 3.84Å; V19-V37 HydrophobicContact CG2-CG2 4.04Å; V37-V40 HydrophobicContact CG1-CG2 4.39Å; V37-V46 HydrophobicContact CB-CG1 4.22Å; V37-V46 HydrophobicContact CG1-CG1 3.42Å; V37-V46 VanDerWaalsContact CG1-CG1 3.42Å; V37-V46 HydrophobicContact CG2-CG1 3.87Å; V37-E47 CarbonylContact C-O 3.5Å; V37-E47 WeakPolarHBondContact CA-O 3.24Å; V37-V48 HydrophobicContact CG2-CG2 4.44Å
38T91.9Very high88.2Confident55 Ų5566 Ų6634%0.33735%0.346SS..EExtended strand (participates in β ladder)trans-86.4-36.7176.853.40000111.5V15 T36 E47 G50V15-T38 VanDerWaalsContact CG1-O 3.28Å; V15-T38 WeakPolarHBondContact CG1-O 3.41Å; T36-T38 PolarHBondContact O-N 3.19Å; T36-T38 VanDerWaalsContact O-N 3.12Å; T38-E47 PolarHBondContact N-O 2.96Å; T38-E47 WeakPolarHBondContact OG1-CB 3.4Å; T38-E47 VanDerWaalsContact OG1-CD 3.26Å; T38-E47 VanDerWaalsContact OG1-CG 3.24Å; T38-E47 WeakPolarHBondContact OG1-CG 3.46Å; T38-E47 PolarHBondContact OG1-O 2.86Å; T38-E47 PolarHBondContact OG1-OE1 3.01Å; T38-G50 PolarHBondContact OG1-N 2.89Å
39N88.5Confident88.7Confident74 Ų7463.8 Ų63.840%0.39633%0.325SS..EExtended strand (participates in β ladder)trans-157.6154.8-178.3-160.6-3.2000112.1V46 E47N39-V46 WeakPolarHBondContact O-CG1 3.4Å; N39-E47 HydrophobicContact CB-CB 3.87Å; N39-E47 WeakPolarHBondContact CB-OE2 3.36Å; N39-E47 PolarHBondContact N-O 2.8Å; N39-E47 WeakPolarHBondContact O-CB 3.33Å; N39-E47 PolarHBondContact O-N 3.12Å
40V87.2Confident88.9Confident14 Ų1458.8 Ų58.89%0.08531%0.31CS..EExtended strand (participates in β ladder)trans-106.1101.7173.6179.40000108.6I9 R10 V37I9-V40 HydrophobicContact CB-CG1 4.45Å; I9-V40 HydrophobicContact CG2-CG1 3.6Å; R10-V40 HydrophobicContact CG-CB 4.42Å; R10-V40 HydrophobicContact CG-CG1 4.13Å; V37-V40 HydrophobicContact CG1-CG2 4.39Å
41L84.9Confident89.1Confident82 Ų8260.5 Ų60.543%0.42932%0.316SS..EExtended strand (participates in β ladder)trans-75.2-47.1-176.4-58175.4000111.7A45 E47 P52L41-A45 HydrophobicContact CB-CB 4.47Å; L41-A45 PolarHBondContact N-O 2.83Å; L41-E47 HydrophobicContact CD1-CB 4.24Å; L41-E47 HydrophobicContact CD2-CB 4.46Å; L41-E47 HydrophobicContact CG-CB 4.16Å; L41-P52 HydrophobicContact CD1-CB 3.58Å
42S82Confident89.2Confident44 Ų4453.8 Ų53.831%0.30830%0.302SS..EExtended strand (participates in β ladder)trans-158.4167.9-174.4-179.20000111.8N6 Q44 A45N6-S42 VanDerWaalsContact OD1-CA 3.23Å; N6-S42 WeakPolarHBondContact OD1-CA 3.1Å; S42-Q44 PolarHBondContact O-N 3.43Å; S42-A45 PolarHBondContact N-O 2.77Å; S42-A45 PolarHBondContact O-N 3.49Å; S42-A45 VanDerWaalsContact O-N 3.13Å
43G81.3Confident89.2Confident14 Ų1452.2 Ų52.214%0.14430%0.295CS..THydrogen-bonded Turntrans-62.46.1172.600000116T5 N6 I9T5-G43 WeakPolarHBondContact O-CA 3.42Å; N6-G43 PolarHBondContact OD1-N 3.1Å; I9-G43 VanDerWaalsContact CD1-CA 3.43Å; I9-G43 WeakPolarHBondContact CD1-O 3.43Å; I9-G43 VanDerWaalsContact CG1-CA 3.5Å
44Q87.1Confident89.3Confident125 Ų12550.5 Ų50.558%0.58429%0.287SS*.THydrogen-bonded Turntrans-135.3-12.3173.6-67.4-178.8-28.300112.9S42 H54 V55S42-Q44 PolarHBondContact O-N 3.43Å; Q44-H54 CarbonylContact O-C 3.57Å; Q44-H54 WeakPolarHBondContact O-CA 3.42Å; Q44-H54 PolarHBondContact O-CD2 3.02Å; Q44-V55 VanDerWaalsContact C-CG2 3.43Å; Q44-V55 WeakPolarHBondContact O-CG2 3.35Å; Q44-V55 PolarHBondContact O-N 3.2Å
45A88.5Confident89.1Confident29 Ų2947.4 Ų47.424%0.2427%0.274CS..EExtended strand (participates in β ladder)trans-136.1130.9-172.900000111L41 S42 R53L41-A45 HydrophobicContact CB-CB 4.47Å; L41-A45 PolarHBondContact N-O 2.83Å; S42-A45 PolarHBondContact N-O 2.77Å; S42-A45 PolarHBondContact O-N 3.49Å; S42-A45 VanDerWaalsContact O-N 3.13Å; A45-R53 CarbonylContact C-O 3.58Å; A45-R53 VanDerWaalsContact CA-O 3.32Å; A45-R53 WeakPolarHBondContact CA-O 3.46Å
46V89.8Confident88.9Confident0 Ų057 Ų570%031%0.309CS..EExtended strand (participates in β ladder)trans-127.3135.1179.5177.60000107.3I9 Y13 V37 N39 V48 R53 V55 I58I9-V46 HydrophobicContact CG2-CG2 4.06Å; Y13-V46 HydrophobicContact CD2-CG2 4.36Å; V37-V46 HydrophobicContact CB-CG1 4.22Å; V37-V46 HydrophobicContact CG1-CG1 3.42Å; V37-V46 VanDerWaalsContact CG1-CG1 3.42Å; V37-V46 HydrophobicContact CG2-CG1 3.87Å; N39-V46 WeakPolarHBondContact O-CG1 3.4Å; V46-V48 HydrophobicContact CG1-CG2 4.25Å; V46-R53 PolarHBondContact N-O 2.92Å; V46-R53 PolarHBondContact O-N 2.78Å; V46-R53 VanDerWaalsContact O-O 3.07Å; V46-V55 HydrophobicContact CG2-CG2 3.84Å; V46-I58 HydrophobicContact CB-CD1 3.72Å; V46-I58 HydrophobicContact CG1-CD1 4.25Å; V46-I58 HydrophobicContact CG2-CD1 4.44Å
47E92.4Very high88.7Confident47 Ų4757.3 Ų57.322%0.2231%0.308CS..EExtended strand (participates in β ladder)trans-82.2124.1175.2-158.6-169.2127.600108.9V37 T38 N39 L41 G50V37-E47 CarbonylContact C-O 3.5Å; V37-E47 WeakPolarHBondContact CA-O 3.24Å; T38-E47 PolarHBondContact N-O 2.96Å; T38-E47 WeakPolarHBondContact OG1-CB 3.4Å; T38-E47 VanDerWaalsContact OG1-CD 3.26Å; T38-E47 VanDerWaalsContact OG1-CG 3.24Å; T38-E47 WeakPolarHBondContact OG1-CG 3.46Å; T38-E47 PolarHBondContact OG1-O 2.86Å; T38-E47 PolarHBondContact OG1-OE1 3.01Å; N39-E47 HydrophobicContact CB-CB 3.87Å; N39-E47 WeakPolarHBondContact CB-OE2 3.36Å; N39-E47 PolarHBondContact N-O 2.8Å; N39-E47 WeakPolarHBondContact O-CB 3.33Å; N39-E47 PolarHBondContact O-N 3.12Å; L41-E47 HydrophobicContact CD1-CB 4.24Å; L41-E47 HydrophobicContact CD2-CB 4.46Å; L41-E47 HydrophobicContact CG-CB 4.16Å; E47-G50 WeakPolarHBondContact OE1-CA 3.45Å
48V91.8Very high88.6Confident1 Ų157.5 Ų57.51%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-126.7121.4-179.2-172.40000107.4V19 I21 T36 V37 V46 G50 I51 I58V19-V48 HydrophobicContact CG2-CG1 3.94Å; V19-V48 HydrophobicContact CG2-CG2 4.26Å; I21-V48 HydrophobicContact CD1-CB 4.27Å; I21-V48 HydrophobicContact CD1-CG1 3.39Å; I21-V48 HydrophobicContact CG1-CG1 4.08Å; T36-V48 WeakPolarHBondContact O-CA 3.35Å; T36-V48 WeakPolarHBondContact O-CG1 3.32Å; V37-V48 HydrophobicContact CG2-CG2 4.44Å; V46-V48 HydrophobicContact CG1-CG2 4.25Å; V48-G50 PolarHBondContact O-N 2.89Å; V48-I51 PolarHBondContact N-O 2.74Å; V48-I51 PolarHBondContact O-N 3.18Å; V48-I58 HydrophobicContact CG2-CD1 3.72Å; V48-I58 HydrophobicContact CG2-CG1 4.42Å
49D90.1Very high88.4Confident90 Ų9061.4 Ų61.448%0.48132%0.318SS..THydrogen-bonded Turntrans50.236.1-174.5-50-43.5000114G35 T36 I51G35-D49 WeakPolarHBondContact CA-OD2 3.47Å; T36-D49 PolarHBondContact N-OD1 2.8Å; T36-D49 PolarHBondContact O-N 2.78Å; D49-I51 VanDerWaalsContact C-N 3.29Å; D49-I51 PolarHBondContact O-N 3.26Å
50G90.6Very high88.2Confident47 Ų4765.2 Ų65.249%0.48533%0.327SS..THydrogen-bonded Turntrans84.3-4-177.400000114.9T38 E47 V48T38-G50 PolarHBondContact OG1-N 2.89Å; E47-G50 WeakPolarHBondContact OE1-CA 3.45Å; V48-G50 PolarHBondContact O-N 2.89Å
51I90.3Very high87.9Confident96 Ų9668.2 Ų68.249%0.49234%0.336SS..EExtended strand (participates in β ladder)trans-107.1122.4-178.4-57.1175.8000109.8V48 D49 R53V48-I51 PolarHBondContact N-O 2.74Å; V48-I51 PolarHBondContact O-N 3.18Å; D49-I51 VanDerWaalsContact C-N 3.29Å; D49-I51 PolarHBondContact O-N 3.26Å; I51-R53 HydrophobicContact CG2-CG 4.37Å; I51-R53 PolarHBondContact O-N 3.48Å
52P90.8Very high87.1Confident86 Ų8670.1 Ų70.156%0.55835%0.352SS*.EExtended strand (participates in β ladder)trans-67.712217527.2-33.5000111.1L41L41-P52 HydrophobicContact CD1-CB 3.58Å
53R90.4Very high86.2Confident44 Ų4470.7 Ų70.717%0.16635%0.354CS..EExtended strand (participates in β ladder)trans-124.5150.9177.2-65.5-163.5-178.5-133.518111.9R22 E33 A45 V46 I51 I58R22-R53 PolarHBondContact O-NH1 2.85Å; E33-R53 IonicContact OE2-NH2 3.43Å; E33-R53 PolarHBondContact OE2-NH2 3.3Å; A45-R53 CarbonylContact C-O 3.58Å; A45-R53 VanDerWaalsContact CA-O 3.32Å; A45-R53 WeakPolarHBondContact CA-O 3.46Å; V46-R53 PolarHBondContact N-O 2.92Å; V46-R53 PolarHBondContact O-N 2.78Å; V46-R53 VanDerWaalsContact O-O 3.07Å; I51-R53 HydrophobicContact CG2-CG 4.37Å; I51-R53 PolarHBondContact O-N 3.48Å; R53-I58 HydrophobicContact CB-CD1 4.13Å; R53-I58 HydrophobicContact CB-CG1 4.35Å
54H90.2Very high84.9Confident67 Ų6773 Ų7331%0.3137%0.368SS..EExtended strand (participates in β ladder)trans-76.6142.5178.4-170.6-88.7000110.3Q44 R56 D57Q44-H54 CarbonylContact O-C 3.57Å; Q44-H54 WeakPolarHBondContact O-CA 3.42Å; Q44-H54 PolarHBondContact O-CD2 3.02Å; H54-R56 VanDerWaalsContact CE1-CG 3.49Å; H54-R56 WeakPolarHBondContact CE1-CG 3.19Å; H54-R56 WeakPolarHBondContact ND1-CB 3.37Å; H54-R56 PolarHBondContact ND1-N 2.94Å; H54-R56 VanDerWaalsContact ND1-N 3.14Å; H54-R56 PolarHBondContact O-N 3.05Å; H54-D57 WeakPolarHBondContact O-CB 3.48Å; H54-D57 PolarHBondContact O-N 3.46Å
55V87.2Confident83.4Confident25 Ų2572.3 Ų72.315%0.15238%0.375CS..G310 helixtrans-57-27.4-177.1171.90000113I9 Y13 Q44 V46 D57 I58I9-V55 HydrophobicContact CD1-CB 4.28Å; I9-V55 HydrophobicContact CD1-CG1 4.13Å; I9-V55 HydrophobicContact CD1-CG2 3.41Å; I9-V55 VanDerWaalsContact CD1-CG2 3.41Å; Y13-V55 HydrophobicContact CE2-CG1 3.77Å; Q44-V55 VanDerWaalsContact C-CG2 3.43Å; Q44-V55 WeakPolarHBondContact O-CG2 3.35Å; Q44-V55 PolarHBondContact O-N 3.2Å; V46-V55 HydrophobicContact CG2-CG2 3.84Å; V55-D57 VanDerWaalsContact C-N 3.27Å; V55-D57 PolarHBondContact O-N 3.04Å; V55-I58 PolarHBondContact O-N 3.37Å; V55-I58 VanDerWaalsContact O-O 3.12Å
56R88.6Confident81.7Confident207 Ų20778 Ų7878%0.78140%0.401SS*.G310 helixtrans-68.4-24.8175.6-70.8174.6-177.5173.90.4114H54 I58H54-R56 VanDerWaalsContact CE1-CG 3.49Å; H54-R56 WeakPolarHBondContact CE1-CG 3.19Å; H54-R56 WeakPolarHBondContact ND1-CB 3.37Å; H54-R56 PolarHBondContact ND1-N 2.94Å; H54-R56 VanDerWaalsContact ND1-N 3.14Å; H54-R56 PolarHBondContact O-N 3.05Å; R56-I58 VanDerWaalsContact C-N 3.27Å
57D87.9Confident80.1Confident55 Ų5586.7 Ų86.729%0.29443%0.434SS..G310 helixtrans-87.7-4178.7-60.1-37.8000111.3I21 R22 H54 V55I21-D57 CarbonylContact C-O 3.56Å; I21-D57 WeakPolarHBondContact CA-O 3.38Å; R22-D57 HydrophobicContact CB-CB 4.06Å; R22-D57 WeakPolarHBondContact CB-O 3.18Å; R22-D57 PolarHBondContact N-O 2.95Å; H54-D57 WeakPolarHBondContact O-CB 3.48Å; H54-D57 PolarHBondContact O-N 3.46Å; V55-D57 VanDerWaalsContact C-N 3.27Å; V55-D57 PolarHBondContact O-N 3.04Å
58I88.6Confident78.2Confident6 Ų690.7 Ų90.73%0.03145%0.453CS..EExtended strand (participates in β ladder)trans-113.6128.6-174.9-55171.8000109.8Y13 V19 W20 V46 V48 R53 V55 R56Y13-I58 HydrophobicContact CD1-CG2 4.34Å; Y13-I58 HydrophobicContact CE1-CB 4.39Å; Y13-I58 HydrophobicContact CE1-CG2 3.64Å; Y13-I58 PolarHBondContact OH-O 3.26Å; V19-I58 HydrophobicContact CB-CG2 3.5Å; V19-I58 HydrophobicContact CG1-CG2 3.7Å; V19-I58 HydrophobicContact CG2-CG2 3.72Å; W20-I58 CarbonylContact O-C 3.54Å; V46-I58 HydrophobicContact CB-CD1 3.72Å; V46-I58 HydrophobicContact CG1-CD1 4.25Å; V46-I58 HydrophobicContact CG2-CD1 4.44Å; V48-I58 HydrophobicContact CG2-CD1 3.72Å; V48-I58 HydrophobicContact CG2-CG1 4.42Å; R53-I58 HydrophobicContact CB-CD1 4.13Å; R53-I58 HydrophobicContact CB-CG1 4.35Å; V55-I58 PolarHBondContact O-N 3.37Å; V55-I58 VanDerWaalsContact O-O 3.12Å; R56-I58 VanDerWaalsContact C-N 3.27Å
59R88.9Confident75.9Confident136 Ų136100.7 Ų100.751%0.51350%0.496SS..EExtended strand (participates in β ladder)trans-118.3136.1172.5-64.2179.1175.8-88.8-6108.8V19 W20 Y32 R61V19-R59 CarbonylContact C-O 3.56Å; V19-R59 WeakPolarHBondContact CA-O 3.26Å; W20-R59 HydrophobicContact CB-CB 4.16Å; W20-R59 PolarHBondContact N-O 3.11Å; W20-R59 PolarHBondContact O-N 3.1Å; Y32-R59 HydrophobicContact CE1-CG 4.26Å; Y32-R59 PolarHBondContact OH-NE 2.76Å; R59-R61 PolarHBondContact O-N 3.16Å
60R84.2Confident73.2Confident155 Ų15599.2 Ų99.259%0.58550%0.502SS*.EExtended strand (participates in β ladder)trans-64.7134.3176.2-62.1-178.973.4-156.63.7109.3R12 Y13 T62R12-R60 WeakPolarHBondContact O-CD 3.45Å; R12-R60 PolarHBondContact O-NE 3.43Å; Y13-R60 HydrophobicContact CD1-CG 4.26Å; Y13-R60 HydrophobicContact CE1-CG 3.82Å; R60-T62 PolarHBondContact O-N 2.9Å
61R79.9Confident71Confident76 Ų76103 Ų10329%0.28752%0.516SS..PPolyproline II helixtrans-70.8124.9165.4-163.5179.3-164.6166.321.4106.4E18 E34 R59 P63E18-R61 HydrophobicContact CB-CB 4.25Å; E18-R61 WeakPolarHBondContact O-CB 3.43Å; E18-R61 PolarHBondContact O-N 3.08Å; E18-R61 WeakPolarHBondContact OE2-CD 3.03Å; E18-R61 IonicContact OE2-CZ 3.7Å; E18-R61 IonicContact OE2-NE 3.91Å; E18-R61 IonicContact OE2-NH1 2.74Å; E18-R61 PolarHBondContact OE2-NH1 3.46Å; E34-R61 IonicContact OE1-CZ 3.52Å; E34-R61 IonicContact OE1-NH1 2.67Å; E34-R61 PolarHBondContact OE1-NH1 3.21Å; E34-R61 IonicContact OE1-NH2 3.66Å; E34-R61 IonicContact OE2-CZ 3.4Å; E34-R61 IonicContact OE2-NH1 3.34Å; E34-R61 PolarHBondContact OE2-NH1 3.09Å; E34-R61 IonicContact OE2-NH2 2.87Å; E34-R61 PolarHBondContact OE2-NH2 3.23Å; R59-R61 PolarHBondContact O-N 3.16Å; R61-P63 WeakPolarHBondContact O-CD 3.5Å; R61-P63 VanDerWaalsContact O-N 3.12Å
62T69.3Low68.4Low122 Ų122105.3 Ų105.375%0.74853%0.529SS*.PPolyproline II helixtrans-57.8120.6164.5-53.90000105.4R60 S64R60-T62 PolarHBondContact O-N 2.9Å; T62-S64 PolarHBondContact O-N 3.12Å; T62-S64 VanDerWaalsContact O-N 3.14Å
63P63Low66Low56 Ų56110.5 Ų110.536%0.36454%0.543SS..PPolyproline II helixtrans-56.4127.7176.925.5-34.9000107R61 Q68R61-P63 WeakPolarHBondContact O-CD 3.5Å; R61-P63 VanDerWaalsContact O-N 3.12Å; P63-Q68 HydrophobicContact CB-CG 3.61Å; P63-Q68 HydrophobicContact CG-CG 3.51Å; P63-Q68 VanDerWaalsContact CG-NE2 3.3Å
64S53.7Low63.4Low62 Ų62113.6 Ų113.643%0.43457%0.567SS.*PPolyproline II helixtrans-50.2135.9171.8-1780000107.5T62 D66 R67T62-S64 PolarHBondContact O-N 3.12Å; T62-S64 VanDerWaalsContact O-N 3.14Å; S64-D66 PolarHBondContact O-N 3.4Å; S64-R67 PolarHBondContact O-N 3.14Å
65P54.6Low61.2Low111 Ų111117.9 Ų117.972%0.72159%0.587SS**G310 helixtrans-52.3-22.6-18020.1-32.5000112.6R67P65-R67 PolarHBondContact O-N 3.45Å
66D54.4Low59.1Low149 Ų149123.5 Ų123.580%0.79762%0.616SS**G310 helixtrans-68-16.5176.6-61.3-33000114.8S64S64-D66 PolarHBondContact O-N 3.4Å
67R55.5Low57.5Low182 Ų182122.6 Ų122.669%0.68762%0.621SS**G310 helixtrans-111.3-2.8-175.6-140.2172.3170.4-172.6-5.8114.3E18 S64 P65 K69E18-R67 IonicContact OE1-CZ 3.75Å; E18-R67 IonicContact OE1-NH1 2.62Å; E18-R67 PolarHBondContact OE1-NH1 3.44Å; E18-R67 IonicContact OE2-NH1 3.91Å; S64-R67 PolarHBondContact O-N 3.14Å; P65-R67 PolarHBondContact O-N 3.45Å; R67-K69 PolarHBondContact O-N 3.23Å
68Q51.5Low56.3Low132 Ų132126.2 Ų126.262%0.61765%0.645SS**  trans-97.849.4175.1-62.6-165.8-74.800112.4P63 G70P63-Q68 HydrophobicContact CB-CG 3.61Å; P63-Q68 HydrophobicContact CG-CG 3.51Å; P63-Q68 VanDerWaalsContact CG-NE2 3.3Å; Q68-G70 VanDerWaalsContact C-N 3.33Å; Q68-G70 PolarHBondContact O-N 3.17Å; Q68-G70 VanDerWaalsContact O-N 3.16Å
69K43.3Very low55Low211 Ų211135.2 Ų135.292%0.91769%0.687SS**  trans-84.483.4165-164.7-179.7-178.3-164.50109R67R67-K69 PolarHBondContact O-N 3.23Å
70G35.3Very low54.2Low59 Ų59136.3 Ų136.361%0.60870%0.698SS**SBendtrans12294.616700000113.8Q68Q68-G70 VanDerWaalsContact C-N 3.33Å; Q68-G70 PolarHBondContact O-N 3.17Å; Q68-G70 VanDerWaalsContact O-N 3.16Å
71T42.6Very low53.6Low125 Ų125134 Ų13477%0.76770%0.702SS**  169105.3123.139.40000110.4
72N37Very low53.3Low145 Ų145138.3 Ų138.378%0.77573%0.731SS**  trans74.788.3136-43.4-18.5000120.2
73K39.9Very low53.6Low195 Ų195139.9 Ų139.985%0.84873%0.733SS**  163.4105.1123.2-93.9179.4174-175.90106.6
74T36.5Very low54.4Low110 Ų110144 Ų14468%0.67575%0.751SS**  51.2111.474.9-47.30000108.5
75E43.2Very low55.6Low157 Ų157152.4 Ų152.473%0.73477%0.773SS**  cis-166.2154.510.1-99.6151.6-16900103.2
76N43.4Very low56.7Low142 Ų142154 Ų15476%0.75977%0.773SS**  trans31122.9147.4-48.9-37.3000118.1
77E54.9Low57.9Low188 Ų188152.8 Ų152.888%0.87977%0.773SS**  176.9121.3118.6-69.9-130.6153.600107.7E79E77-E79 PolarHBondContact O-N 2.87Å
78V62.1Low58.8Low132 Ų132150.9 Ų150.980%0.878%0.775SS**  trans-1.6111.1165.4-170.70000115.1E80V78-E80 HydrophobicContact CG1-CG 4.44Å; V78-E80 PolarHBondContact O-N 2.96Å
79E62.8Low59.5Low194 Ų194155.5 Ų155.591%0.90779%0.787SS**  trans-67.483169.3-66-168.3178.500109.9E77E77-E79 PolarHBondContact O-N 2.87Å
80E70.2Confident60.3Low160 Ų160152.4 Ų152.475%0.74878%0.78SS**  trans-63.3128.9163.8-73.6-166149.100108.5V78 L82V78-E80 HydrophobicContact CG1-CG 4.44Å; V78-E80 PolarHBondContact O-N 2.96Å; E80-L82 PolarHBondContact O-N 3.02Å; E80-L82 VanDerWaalsContact O-N 3.1Å
81P73Confident61.4Low105 Ų105154.8 Ų154.868%0.68279%0.788SS**  trans-61121.2-179.724.8-32.8000109.3L83P81-L83 VanDerWaalsContact C-N 3.27Å; P81-L83 PolarHBondContact O-N 2.98Å
82L73.2Confident61.9Low168 Ų168155.4 Ų155.488%0.8879%0.786SS**  trans-59.986.5172.7-69.5166.6000109.9E80 I84E80-L82 PolarHBondContact O-N 3.02Å; E80-L82 VanDerWaalsContact O-N 3.1Å; L82-I84 PolarHBondContact O-N 2.8Å; L82-I84 VanDerWaalsContact O-N 3.08Å
83L76.2Confident62.6Low154 Ų154154 Ų15481%0.80678%0.783SS**  trans-74.896.3175.9-74.4167.1000109.5P81 R85P81-L83 VanDerWaalsContact C-N 3.27Å; P81-L83 PolarHBondContact O-N 2.98Å; L83-R85 PolarHBondContact O-N 2.82Å; L83-R85 VanDerWaalsContact O-N 3.11Å
84I78.2Confident63Low142 Ų142152.7 Ų152.773%0.72879%0.785SS**  trans-72.4100170.7-56.2174.5000108.4L82 M86L82-I84 PolarHBondContact O-N 2.8Å; L82-I84 VanDerWaalsContact O-N 3.08Å; I84-M86 HydrophobicContact CG2-CG 4.32Å; I84-M86 HydrophobicContact CG2-SD 3.79Å; I84-M86 PolarHBondContact O-N 2.7Å
85R79Confident63.7Low239 Ų239150.6 Ų150.690%0.90278%0.779SS**  trans-74.4105.1170.2-90.3-177.8174.5-115.41.2110.1L83L83-R85 PolarHBondContact O-N 2.82Å; L83-R85 VanDerWaalsContact O-N 3.11Å
86M79.4Confident63.8Low146 Ų146153.3 Ų153.372%0.71979%0.792SS**  trans-83.4133.7167-59-61.2-84.900108.8I84 I88I84-M86 HydrophobicContact CG2-CG 4.32Å; I84-M86 HydrophobicContact CG2-SD 3.79Å; I84-M86 PolarHBondContact O-N 2.7Å; M86-I88 PolarHBondContact O-N 2.71Å; M86-I88 VanDerWaalsContact O-N 3.09Å
87P79.4Confident64.1Low122 Ų122151.1 Ų151.179%0.79279%0.787SS**  trans-65.6114.4175.525.8-31.7000109.3R89P87-R89 PolarHBondContact O-N 3.22Å
88I73.8Confident64.2Low143 Ų143148 Ų14873%0.73378%0.784SS**  trans-72.6119.7166.2-56.9173.7000105.6M86 D90M86-I88 PolarHBondContact O-N 2.71Å; M86-I88 VanDerWaalsContact O-N 3.09Å; I88-D90 PolarHBondContact O-N 2.94Å
89R66.9Low64.1Low228 Ų228145.7 Ų145.786%0.8678%0.779SS**  trans-75.3103.3166.5-76.3-178.6176.1-178.6-2106.7P87 S91P87-R89 PolarHBondContact O-N 3.22Å; R89-S91 PolarHBondContact O-N 3.27Å
90D59.3Low64.2Low146 Ų146142.2 Ų142.278%0.78177%0.773SS**  trans-7184.8168.1-62-33.1000108.6I88 N92I88-D90 PolarHBondContact O-N 2.94Å; D90-N92 PolarHBondContact O-N 3.11Å; D90-N92 VanDerWaalsContact O-N 3.12Å
91S57.5Low63.9Low110 Ų110143.4 Ų143.477%0.76978%0.778SS**  trans-82.273.116752.50000109R89R89-S91 PolarHBondContact O-N 3.27Å
92N54.7Low63.7Low137 Ų137146.2 Ų146.273%0.73379%0.787SS**  trans-10181.7159.8-172.77.4000108.5D90D90-N92 PolarHBondContact O-N 3.11Å; D90-N92 VanDerWaalsContact O-N 3.12Å
93V51.4Low63.2Low117 Ų117150 Ų15071%0.70979%0.789SS**  trans-127.1107.5157-90.40000105.7A95V93-A95 HydrophobicContact CB-CB 4.37Å; V93-A95 PolarHBondContact O-N 3.43Å
94N48.5Very low62.6Low166 Ų166153.7 Ų153.789%0.88879%0.793SS**  trans-5285.8153.7-80.9-24.8000107.8
95A51Low62Low67 Ų67152 Ų15255%0.55479%0.793SS**  trans-149.2100173.300000105.5V93 S97V93-A95 HydrophobicContact CB-CB 4.37Å; V93-A95 PolarHBondContact O-N 3.43Å; A95-S97 VanDerWaalsContact C-N 3.28Å; A95-S97 PolarHBondContact O-N 3.02Å
96E44Very low61Low213 Ų213151.8 Ų151.8100%0.99579%0.792SS**  trans-51.994.4166.4-173.2167.6-179.900108.3
97S51.6Low60.3Low96 Ų96156 Ų15667%0.67180%0.8SS**  trans-128.6124.8-178.8-171.80000107.3A95 A99A95-S97 VanDerWaalsContact C-N 3.28Å; A95-S97 PolarHBondContact O-N 3.02Å; S97-A99 PolarHBondContact O-N 2.9Å
98P56.3Low59.4Low123 Ų123156.8 Ų156.880%0.79980%0.796SS**  trans-62.2135.2-165.424.9-33.4000110.5
99A60.8Low58.8Low84 Ų84161 Ų16169%0.69480%0.803SS**  trans-37.8135.4-176.500000112.5S97 Q101S97-A99 PolarHBondContact O-N 2.9Å; A99-Q101 PolarHBondContact O-N 3Å
100P63.9Low58.5Low121 Ų121158 Ų15879%0.78680%0.799SS**  trans-60109.7178.625-32.2000108.1L102P100-L102 PolarHBondContact O-N 3.24Å
101Q64.8Low58.3Low185 Ų185160.1 Ų160.186%0.86480%0.804SS**  trans-57.9106.8174.5-68.6-176.25.700107.2A99 R103A99-Q101 PolarHBondContact O-N 3Å; Q101-R103 VanDerWaalsContact C-N 3.34Å; Q101-R103 PolarHBondContact O-N 2.98Å
102L68Low58.2Low164 Ų164166.2 Ų166.286%0.85981%0.81SS**  trans-52101.9171.8-95.1148000107.2P100 R104P100-L102 PolarHBondContact O-N 3.24Å; L102-R104 PolarHBondContact O-N 3.18Å
103R63Low58.2Low246 Ų246163.1 Ų163.193%0.92881%0.81SS**  trans-70.276.8-178.3-159.1-179.4135.7141.51.1107.8Q101 S105Q101-R103 VanDerWaalsContact C-N 3.34Å; Q101-R103 PolarHBondContact O-N 2.98Å; R103-S105 PolarHBondContact O-N 3.04Å
104R62.3Low58.5Low233 Ų233162.8 Ų162.888%0.87981%0.813SS**  trans-60.7104.7174.2-87.5-172.5172.8-176.3-0.8107.2L102 R106L102-R104 PolarHBondContact O-N 3.18Å; R104-R106 PolarHBondContact O-N 3.48Å
105S67.4Low58.9Low106 Ų106162.6 Ų162.674%0.74181%0.811SS**  trans-66.1105.4167.565.40000108R103 R107R103-S105 PolarHBondContact O-N 3.04Å; S105-R107 PolarHBondContact O-N 2.87Å
106R57.5Low59.4Low235 Ų235165.6 Ų165.689%0.88782%0.823SS**  trans-68.382.8161.7-92.7-177.1165.4176.8-3.3107.9R104 I108R104-R106 PolarHBondContact O-N 3.48Å; R106-I108 VanDerWaalsContact C-N 3.34Å; R106-I108 PolarHBondContact O-N 3.39Å
107R65.1Low60Low234 Ų234161.4 Ų161.488%0.88381%0.811SS**  trans-84.488.4163.6-156.8176.8-160171.85.6106.9S105 R109S105-R107 PolarHBondContact O-N 2.87Å; R107-R109 PolarHBondContact O-N 2.88Å
108I60.8Low60.2Low138 Ų138164.8 Ų164.871%0.70882%0.817SS**  trans-62.4106168-65.5167.8000105.8R106 Q110R106-I108 VanDerWaalsContact C-N 3.34Å; R106-I108 PolarHBondContact O-N 3.39Å; I108-Q110 VanDerWaalsContact C-N 3.31Å; I108-Q110 PolarHBondContact O-N 3.27Å
109R61.1Low60.3Low233 Ų233168 Ų16888%0.87982%0.818SS**  trans-7096.3170.7-170.5178-174.4-179.21.1105.7R107 Q111R107-R109 PolarHBondContact O-N 2.88Å; R109-Q111 PolarHBondContact O-N 2.76Å
110Q58.7Low59.8Low164 Ų164172.4 Ų172.477%0.76682%0.824SS**  trans-53.9118166.2-68.1-163.8-8.100106.9I108 R112I108-Q110 VanDerWaalsContact C-N 3.31Å; I108-Q110 PolarHBondContact O-N 3.27Å; Q110-R112 VanDerWaalsContact C-N 3.27Å; Q110-R112 PolarHBondContact O-N 2.9Å
111Q56.4Low59.5Low190 Ų190171.2 Ų171.289%0.88883%0.825SS**  trans-6098.3166.6-77.1-177.9-27.900105.9R109 G113R109-Q111 PolarHBondContact O-N 2.76Å; Q111-G113 PolarHBondContact O-N 2.62Å
112R56Low59.1Low238 Ų238164.8 Ų164.890%0.89881%0.808SS**  trans-64116.9163.3-76.9-173.2173.6-166.8-2.8105.5Q110 S114Q110-R112 VanDerWaalsContact C-N 3.27Å; Q110-R112 PolarHBondContact O-N 2.9Å; R112-S114 PolarHBondContact O-N 2.82Å
113G54.2Low58.9Low72 Ų72162.4 Ų162.474%0.74280%0.802SS**  trans-47.7137.1179.900000111.2Q111 L115Q111-G113 PolarHBondContact O-N 2.62Å; G113-L115 PolarHBondContact O-N 2.67Å
114S57.4Low58.5Low110 Ų110156.3 Ų156.377%0.76979%0.792SS**  trans-69.3106.7167.450.20000108.2R112 V116R112-S114 PolarHBondContact O-N 2.82Å; S114-V116 PolarHBondContact O-N 2.87Å
115L57.6Low58Low162 Ų162150.8 Ų150.885%0.84878%0.784SS**  trans-79.3104.7154.1-76.2166.8000106.1G113 V117G113-L115 PolarHBondContact O-N 2.67Å; L115-V117 VanDerWaalsContact C-N 3.31Å; L115-V117 PolarHBondContact O-N 3.34Å
116V59.8Low57Low130 Ų130153.2 Ų153.279%0.78878%0.781SS**  trans-6898.2164.5178.90000105.5S114 E118S114-V116 PolarHBondContact O-N 2.87Å; V116-E118 PolarHBondContact O-N 2.74Å
117V56.5Low56.8Low125 Ų125150 Ų15076%0.75878%0.776SS**  trans-84102.8165.3-178.20000105.5L115 K119L115-V117 VanDerWaalsContact C-N 3.31Å; L115-V117 PolarHBondContact O-N 3.34Å; V117-K119 PolarHBondContact O-N 2.88Å
118E56.1Low56Low168 Ų168146.5 Ų146.579%0.78578%0.775SS**  trans-54.7110.1166-171.8172.2174.100107.8V116 Q120V116-E118 PolarHBondContact O-N 2.74Å; E118-Q120 VanDerWaalsContact C-N 3.33Å; E118-Q120 PolarHBondContact O-N 3.41Å
119K59.2Low55.7Low189 Ų189146.4 Ų146.482%0.82278%0.775SS**  trans-7195.3177.3-170.7-176.3-178.6-173.50106.6V117 A121V117-K119 PolarHBondContact O-N 2.88Å; K119-A121 PolarHBondContact O-N 2.99Å
120Q50.7Low55Low178 Ų178142.5 Ų142.583%0.83277%0.77SS**  trans-60.2106.2163.4-77-153.55.600107.8E118 G122E118-Q120 VanDerWaalsContact C-N 3.33Å; E118-Q120 PolarHBondContact O-N 3.41Å; Q120-G122 PolarHBondContact O-N 2.86Å
121A57.7Low54.6Low96 Ų96145.7 Ų145.779%0.79378%0.777SS**  trans-72.981.3167.700000107.6K119K119-A121 PolarHBondContact O-N 2.99Å
122G55.9Low54.3Low49 Ų49140.7 Ų140.751%0.50578%0.776SS.*  trans-64146.4161.400000109.3Q120 V124Q120-G122 PolarHBondContact O-N 2.86Å; G122-V124 PolarHBondContact O-N 2.73Å
123P62.5Low53.9Low115 Ų115133.8 Ų133.875%0.74777%0.77SS**  trans-61123.9178.426.4-32.8000108.7V125P123-V125 PolarHBondContact O-N 2.96Å
124V55.8Low53.7Low118 Ų118137.3 Ų137.372%0.71578%0.777SS**  trans-70.593.6163.6-158.70000104.8G122 F126G122-V124 PolarHBondContact O-N 2.73Å; V124-F126 HydrophobicContact CB-CD2 4.14Å; V124-F126 HydrophobicContact CB-CE2 4.27Å; V124-F126 HydrophobicContact CG1-CD2 3.86Å; V124-F126 HydrophobicContact CG1-CE2 3.83Å; V124-F126 PolarHBondContact O-N 3.33Å
125V51.1Low53.1Low117 Ų117135.9 Ų135.971%0.70977%0.772SS**  trans-64.793.9166.3-76.10000106.7P123 E127P123-V125 PolarHBondContact O-N 2.96Å; V125-E127 PolarHBondContact O-N 3.45Å
126F47.4Very low52.4Low157 Ų157135.9 Ų135.969%0.68977%0.772SS**  trans-73.267.1164.2-92.7-92.8000107.8V124 I129V124-F126 HydrophobicContact CB-CD2 4.14Å; V124-F126 HydrophobicContact CB-CE2 4.27Å; V124-F126 HydrophobicContact CG1-CD2 3.86Å; V124-F126 HydrophobicContact CG1-CE2 3.83Å; V124-F126 PolarHBondContact O-N 3.33Å; F126-I129 HydrophobicContact CD1-CD1 4.08Å; F126-I129 HydrophobicContact CE1-CD1 4.14Å
127E52.3Low52Low166 Ų166137 Ų13778%0.77678%0.779SS**  trans-87.8140.2154.3-63.6-143.9143.400106.7V125V125-E127 PolarHBondContact O-N 3.45Å
128D48.1Very low51.7Low162 Ų162135 Ų13587%0.86678%0.775SS**SBendtrans104.312.7-174.9-52.2-14.9000117.6
129I54.8Low51.4Low135 Ų135134.6 Ų134.669%0.69278%0.778SS**SBendtrans-129.432.1159.3-37.2178.3000112.2F126F126-I129 HydrophobicContact CD1-CD1 4.08Å; F126-I129 HydrophobicContact CE1-CD1 4.14Å
130L46.6Very low51.2Low151 Ų151130.5 Ų130.579%0.79178%0.779SS**  trans-116.599.4159.2-99.894.8000108.3
131Y50.6Low51.2Low232 Ų232129.6 Ų129.691%0.9178%0.78SS**SBendtrans175.547.1133.8-103.7-81000108.4
132G49Very low51.1Low84 Ų84136 Ų13687%0.86678%0.784SS**SBendtrans-116.7-2.9179.300000115.1
133A49.4Very low51Low93 Ų93142.1 Ų142.177%0.76981%0.805SS**SBendtrans-129.3-3.6-164.300000118
134V48.3Very low50.5Low147 Ų147144.3 Ų144.389%0.89181%0.809SS**SBendtrans-143.933.1-173.2-155.30000116.2
135A45.6Very low50.3Low80 Ų80149.4 Ų149.466%0.66182%0.816SS**SBendtrans-143.73.9178.400000118.9
136L41.9Very low50.3Low161 Ų161151 Ų15184%0.84382%0.82SS**SBendtrans-114.930.4177.1-105.6168000114.8
137V51.9Low50.8Low154 Ų154149.4 Ų149.493%0.93383%0.826SS**SBendtrans-101.48.2164.5177.40000111.3
138A50.7Low51Low83 Ų83149.9 Ų149.969%0.68686%0.858SS**SBendtrans-13423.5-16600000117.9
139L50.4Low51.1Low160 Ų160149.3 Ų149.384%0.83886%0.858SS**SBendtrans-150.48.7178.1-108148.9000117.9
140A53.5Low50.9Low103 Ų103150.1 Ų150.185%0.85187%0.867SS**SBendtrans-101.77.1-179.200000115.3
141D51.1Low51.2Low159 Ų159150 Ų15085%0.8587%0.871SS**SBendtrans-127.135.6-173.2-148.812.6000114.3
142R56.4Low51.2Low230 Ų230145.2 Ų145.287%0.86887%0.869SS**  trans-135.776.7171.6-71-173-179.6173.40.9110.3
143N53.6Low51.3Low177 Ų177149 Ų14995%0.94787%0.869SS**  trans-16341.4155.2-88.1-40.8000111.2
144L52Low51.5Low162 Ų162152.7 Ų152.785%0.84888%0.875SS**  trans-118.8124.5166.1-171.868.3000107.2
145R52.2Low51.7Low224 Ų224153.1 Ų153.185%0.84587%0.874SS**  trans84.1116.1-168.2-65.9176.9166.1-174.1-6112.9
146D50.4Low52.1Low150 Ų150158.8 Ų158.880%0.80289%0.891SS**  cis-150151.747.8-81.4-43.9000113.6
147P57.6Low53Low124 Ų124158.6 Ų158.681%0.80590%0.895SS**  trans-88.1136.3162.534.4-27.8000110.9
148A56.2Low53.1Low177 Ų177159 Ų159100%1.46389%0.891SS**  trans-118.90157.700000108.5

Retrieved 148 of 148 residues in 20.7 ms (Link to these results)