A0A087WTS1_HUMAN Loading...

ADAM metallopeptidase with thrombospondin type 1 motif 9

AlphaFold DB , UniProt , Accession A0A087WTS1, Species HUMAN (Homo sapiens, Human), Gene ADAMTS9, Length 69 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
1A59.1Low87.3Confident120 Ų120102 Ų10299%0.99256%0.564SS**  0134.3000000110C3 Y52A1-C3 VanDerWaalsContact CB-SG 3.57Å; A1-C3 PolarHBondContact O-N 3.44Å; A1-C3 VanDerWaalsContact O-N 3.11Å; A1-C3 PolarHBondContact O-SG 3.19Å; A1-C3 VanDerWaalsContact O-SG 3.36Å; A1-Y52 HydrophobicContact CB-CD2 4.21Å
2K67.9Low88.2Confident223 Ų22396 Ų9697%0.9753%0.53SS*.  trans-7791.5168.9-75.4-174.3-179178.80107.9
3C81.6Confident88.9Confident25 Ų2599.9 Ų99.917%0.16953%0.534CS..  trans-87.8143.7-175.9-52.90000110.1A1 Q5 G51 Y52A1-C3 VanDerWaalsContact CB-SG 3.57Å; A1-C3 PolarHBondContact O-N 3.44Å; A1-C3 VanDerWaalsContact O-N 3.11Å; A1-C3 PolarHBondContact O-SG 3.19Å; A1-C3 VanDerWaalsContact O-SG 3.36Å; C3-Q5 PolarHBondContact O-N 2.75Å; C3-G51 VanDerWaalsContact CB-O 3.25Å; C3-G51 WeakPolarHBondContact CB-O 3.29Å; C3-Y52 WeakPolarHBondContact SG-CA 3.19Å; C3-Y52 WeakPolarHBondContact SG-CB 3.44Å; C3-Y52 WeakPolarHBondContact SG-CD2 3.41Å
4P84.4Confident89.5Confident115 Ų11598.1 Ų98.175%0.74755%0.551SS**  trans-60.6139.5-179.725-32.6000110.6G51P4-G51 PolarHBondContact O-N 3.29Å
5Q91.8Very high90.1Very high66 Ų6696.8 Ų96.831%0.30855%0.546SS..EExtended strand (participates in β ladder)trans-125.9125.4176.7-65168.210.900107.2C3 V33 K48 C49C3-Q5 PolarHBondContact O-N 2.75Å; Q5-V33 HydrophobicContact CG-CB 4.45Å; Q5-K48 HydrophobicContact CB-CD 4.42Å; Q5-K48 HydrophobicContact CB-CG 3.99Å; Q5-C49 CarbonylContact C-O 3.52Å; Q5-C49 WeakPolarHBondContact CA-O 3.01Å
6G92.6Very high90.6Very high46 Ų4692.9 Ų92.947%0.47453%0.534SS..EExtended strand (participates in β ladder)trans-78.7152.1173.200000111.2K48 C49G6-K48 WeakPolarHBondContact O-CA 3.33Å; G6-C49 PolarHBondContact N-O 3.48Å; G6-C49 PolarHBondContact O-N 3.1Å
7R95.2Very high91Very high225 Ų22591.1 Ų91.185%0.84952%0.522SS*.EExtended strand (participates in β ladder)trans-109.1140.7169.4-62.6179.376.1154.42108.5G47 K48R7-G47 CarbonylContact C-O 3.21Å; R7-G47 VanDerWaalsContact CA-O 3.29Å; R7-G47 WeakPolarHBondContact CA-O 3.44Å; R7-K48 HydrophobicContact CG-CG 4.46Å
8F95.9Very high91.3Very high66 Ų6686.1 Ų86.129%0.28949%0.493SS..EExtended strand (participates in β ladder)trans-141160.1173.876.1-87.2000110.3W25 I36 V45 G47 C49F8-W25 HydrophobicContact CE2-CZ2 4.12Å; F8-W25 AromaticContact CZ-CE2 3.95Å; F8-W25 HydrophobicContact CZ-CZ2 4.32Å; F8-W25 AromaticContact CZ-NE1 3.71Å; F8-I36 HydrophobicContact CE1-CD1 3.83Å; F8-I36 HydrophobicContact CE1-CG1 3.91Å; F8-I36 HydrophobicContact CZ-CD1 3.8Å; F8-I36 HydrophobicContact CZ-CG1 3.94Å; F8-I36 HydrophobicContact CZ-CG2 3.89Å; F8-V45 HydrophobicContact CE2-CG1 3.86Å; F8-V45 HydrophobicContact CZ-CG1 4.27Å; F8-G47 PolarHBondContact N-O 2.85Å; F8-G47 PolarHBondContact O-N 3.31Å; F8-C49 HydrophobicContact CE1-CB 4.31Å
9S97.4Very high91.6Very high92 Ų9281.7 Ų81.764%0.64347%0.468SS*.EExtended strand (participates in β ladder)trans-144.2148.617357.20000111.4V45S9-V45 CarbonylContact C-O 3.46Å; S9-V45 WeakPolarHBondContact CA-O 3.4Å; S9-V45 WeakPolarHBondContact CB-O 3.19Å
10I97.3Very high91.8Very high40 Ų4078.3 Ų78.321%0.20545%0.449CS..EExtended strand (participates in β ladder)trans-121.9131.2169.9-54.8172.6000106.5L12 L19 W25 R44 V45 L64I10-L12 HydrophobicContact CG2-CD2 4.24Å; I10-L12 HydrophobicContact CG2-CG 4.06Å; I10-L19 HydrophobicContact CD1-CD1 4.4Å; I10-W25 HydrophobicContact CD1-CH2 4.33Å; I10-W25 HydrophobicContact CD1-CZ2 3.9Å; I10-R44 CarbonylContact O-C 3.58Å; I10-R44 WeakPolarHBondContact O-CA 3.41Å; I10-V45 HydrophobicContact CB-CB 4.01Å; I10-V45 HydrophobicContact CB-CG2 4.34Å; I10-V45 HydrophobicContact CD1-CB 4.32Å; I10-V45 HydrophobicContact CD1-CG2 4.37Å; I10-V45 HydrophobicContact CG1-CB 4.28Å; I10-V45 PolarHBondContact N-O 2.87Å; I10-V45 PolarHBondContact O-N 3.5Å; I10-L64 HydrophobicContact CD1-CD1 4.18Å; I10-L64 HydrophobicContact CD1-CD2 3.95Å
11N97.6Very high91.7Very high104 Ų10482.5 Ų82.556%0.55646%0.464SS*.EExtended strand (participates in β ladder)trans-132.7109.6176.6-175.113.6000109.4Y13N11-Y13 WeakPolarHBondContact OD1-CB 3.35Å; N11-Y13 PolarHBondContact OD1-N 2.91Å; N11-Y13 VanDerWaalsContact OD1-N 3.1Å
12L98.1Very high93.3Very high30 Ų3079 Ų7916%0.15743%0.433CS..  trans-108.88.4176.4-54.3177000111.3I10 G14 T15 L17 L19 T43 V66I10-L12 HydrophobicContact CG2-CD2 4.24Å; I10-L12 HydrophobicContact CG2-CG 4.06Å; L12-G14 PolarHBondContact O-N 3.04Å; L12-T15 PolarHBondContact O-N 3.11Å; L12-T15 PolarHBondContact O-OG1 3.29Å; L12-L17 HydrophobicContact CB-CB 4.5Å; L12-L17 WeakPolarHBondContact CB-O 3.43Å; L12-L17 HydrophobicContact CD1-CB 4.4Å; L12-L19 HydrophobicContact CD1-CG 4.2Å; L12-T43 PolarHBondContact N-O 3.05Å; L12-V66 HydrophobicContact CD1-CG1 4.39Å
13Y97.4Very high94.5Very high147 Ų14768.5 Ų68.558%0.57639%0.388SS*.THydrogen-bonded Turntrans-60.4130.9-178.5-177.5-100.2000111.1N11 T15 R44N11-Y13 WeakPolarHBondContact OD1-CB 3.35Å; N11-Y13 PolarHBondContact OD1-N 2.91Å; N11-Y13 VanDerWaalsContact OD1-N 3.1Å; Y13-T15 VanDerWaalsContact C-N 3.29Å; Y13-T15 PolarHBondContact O-N 2.72Å; Y13-R44 VanDerWaalsContact CD1-NH2 3.31Å
14G97.3Very high95Very high75 Ų7574 Ų7477%0.77341%0.405SS*.THydrogen-bonded Turntrans79.11.817900000115.3L12L12-G14 PolarHBondContact O-N 3.04Å
15T97.9Very high95.5Very high78 Ų7870.6 Ų70.648%0.47938%0.377SS..THydrogen-bonded Turntrans-92.6-7.3179.769.10000113.9L12 Y13 L17L12-T15 PolarHBondContact O-N 3.11Å; L12-T15 PolarHBondContact O-OG1 3.29Å; Y13-T15 VanDerWaalsContact C-N 3.29Å; Y13-T15 PolarHBondContact O-N 2.72Å; T15-L17 PolarHBondContact O-N 2.51Å; T15-L17 WeakPolarHBondContact OG1-CB 3.3Å; T15-L17 PolarHBondContact OG1-N 3.18Å
16G97.5Very high95.6Very high35 Ų3569.5 Ų69.536%0.36137%0.373SS..THydrogen-bonded Turntrans73.514.4-170.200000113.6V68 L69G16-V68 WeakPolarHBondContact O-CA 3.47Å; G16-L69 PolarHBondContact O-N 3.23Å
17L97.7Very high95.7Very high62 Ų6270.4 Ų70.433%0.32537%0.372SS..EExtended strand (participates in β ladder)trans-117146.5178.6-57.8174.6000111.1L12 T15 V66 R67 V68L12-L17 HydrophobicContact CB-CB 4.5Å; L12-L17 WeakPolarHBondContact CB-O 3.43Å; L12-L17 HydrophobicContact CD1-CB 4.4Å; T15-L17 PolarHBondContact O-N 2.51Å; T15-L17 WeakPolarHBondContact OG1-CB 3.3Å; T15-L17 PolarHBondContact OG1-N 3.18Å; L17-V66 HydrophobicContact CB-CG1 3.8Å; L17-V66 HydrophobicContact CD1-CG1 4.34Å; L17-V66 HydrophobicContact CD2-CG1 4.22Å; L17-V66 HydrophobicContact CG-CG1 4.34Å; L17-R67 CarbonylContact C-O 3.52Å; L17-R67 WeakPolarHBondContact CA-O 3.15Å; L17-V68 HydrophobicContact CD2-CG2 3.99Å
18S97.5Very high95.6Very high0 Ų063.1 Ų63.10%035%0.348CS..EExtended strand (participates in β ladder)trans-136.6150.5169.480.50000111.2D41 V66 R67S18-D41 WeakPolarHBondContact CB-O 3.29Å; S18-V66 CarbonylContact O-C 3.53Å; S18-V66 WeakPolarHBondContact O-CA 3.31Å; S18-R67 PolarHBondContact N-O 3.24Å; S18-R67 PolarHBondContact O-N 3.18Å; S18-R67 VanDerWaalsContact OG-CG 3.28Å; S18-R67 WeakPolarHBondContact OG-CG 3.23Å; S18-R67 PolarHBondContact OG-NE 3.39Å
19L96.3Very high95.3Very high4 Ų462.8 Ų62.82%0.02136%0.363CS..EExtended strand (participates in β ladder)trans-66.1145.2163.9-68.6173.2000109.9I10 L12 A23 W25 K38 G42 V45 L64 E65 V66I10-L19 HydrophobicContact CD1-CD1 4.4Å; L12-L19 HydrophobicContact CD1-CG 4.2Å; L19-A23 HydrophobicContact CB-CB 4.23Å; L19-A23 HydrophobicContact CD2-CB 4.38Å; L19-W25 HydrophobicContact CD1-CH2 4.03Å; L19-K38 HydrophobicContact CB-CD 4.18Å; L19-K38 HydrophobicContact CD1-CD 4.36Å; L19-G42 WeakPolarHBondContact CB-O 3.41Å; L19-G42 PolarHBondContact N-O 3.14Å; L19-V45 HydrophobicContact CD1-CG2 3.38Å; L19-L64 HydrophobicContact CD1-CD1 4.19Å; L19-L64 HydrophobicContact CD2-CD1 3.63Å; L19-L64 HydrophobicContact CD2-CG 3.74Å; L19-E65 WeakPolarHBondContact CD2-O 3.37Å; L19-V66 HydrophobicContact CD2-CG2 3.9Å
20T94.7Very high94.8Very high13 Ų1363.7 Ų63.78%0.0836%0.36CS..  trans-71.6162.6172.861.80000110.8S22 A23 K38 E65 R67T20-S22 PolarHBondContact O-N 3.23Å; T20-S22 PolarHBondContact OG1-OG 2.9Å; T20-A23 WeakPolarHBondContact O-CB 3.48Å; T20-A23 PolarHBondContact O-N 2.86Å; T20-A23 PolarHBondContact OG1-N 2.91Å; T20-K38 PolarHBondContact O-NZ 2.83Å; T20-E65 HydrophobicContact CG2-CB 4.1Å; T20-E65 HydrophobicContact CG2-CG 3.68Å; T20-E65 PolarHBondContact N-O 3.03Å; T20-E65 VanDerWaalsContact N-O 3.14Å; T20-E65 PolarHBondContact OG1-OE2 3.3Å; T20-R67 HydrophobicContact CG2-CB 4.18Å; T20-R67 HydrophobicContact CG2-CG 4.3Å
21E91.1Very high94.3Very high166 Ų16671 Ų7178%0.77639%0.387SS*.THydrogen-bonded Turntrans-63.4-34.4174.7-72.6-177-172.800111.9A23 K38E21-A23 VanDerWaalsContact C-N 3.27Å; E21-A23 PolarHBondContact O-N 2.89Å; E21-K38 PolarHBondContact O-NZ 2.89Å
22S92Very high94Very high48 Ų4867.5 Ų67.534%0.33637%0.372SS..THydrogen-bonded Turntrans-67.8-20.6178.260.30000113.8T20 R24 T62 E65T20-S22 PolarHBondContact O-N 3.23Å; T20-S22 PolarHBondContact OG1-OG 2.9Å; S22-R24 PolarHBondContact O-N 2.86Å; S22-R24 VanDerWaalsContact O-N 3.16Å; S22-T62 PolarHBondContact O-OG1 2.81Å; S22-E65 PolarHBondContact OG-OE2 3.18Å; S22-E65 VanDerWaalsContact OG-OE2 3.12Å
23A93.9Very high93.6Very high2 Ų268.5 Ų68.52%0.01738%0.379CS..  trans-66.8110.5173.300000110.4L19 T20 E21 K38L19-A23 HydrophobicContact CB-CB 4.23Å; L19-A23 HydrophobicContact CD2-CB 4.38Å; T20-A23 WeakPolarHBondContact O-CB 3.48Å; T20-A23 PolarHBondContact O-N 2.86Å; T20-A23 PolarHBondContact OG1-N 2.91Å; E21-A23 VanDerWaalsContact C-N 3.27Å; E21-A23 PolarHBondContact O-N 2.89Å; A23-K38 PolarHBondContact O-NZ 2.82Å
24R92.3Very high93.5Very high141 Ų14163.9 Ų63.953%0.53237%0.368SS..  trans-144158.1-178.168-174.8177.293.2-0.7110.9S22 P58 S59S22-R24 PolarHBondContact O-N 2.86Å; S22-R24 VanDerWaalsContact O-N 3.16Å; R24-P58 WeakPolarHBondContact O-CA 3.35Å; R24-S59 PolarHBondContact NH2-OG 3.11Å; R24-S59 PolarHBondContact O-N 3.3Å
25W94.1Very high93.4Very high43 Ų4364.3 Ų64.316%0.16335%0.353CS..EExtended strand (participates in β ladder)trans-103.9146176.7-69.5-105.1000110.5F8 I10 L19 I36 V45 T57 L64F8-W25 HydrophobicContact CE2-CZ2 4.12Å; F8-W25 AromaticContact CZ-CE2 3.95Å; F8-W25 HydrophobicContact CZ-CZ2 4.32Å; F8-W25 AromaticContact CZ-NE1 3.71Å; I10-W25 HydrophobicContact CD1-CH2 4.33Å; I10-W25 HydrophobicContact CD1-CZ2 3.9Å; L19-W25 HydrophobicContact CD1-CH2 4.03Å; W25-I36 HydrophobicContact CB-CD1 3.44Å; W25-I36 VanDerWaalsContact CB-CD1 3.44Å; W25-I36 HydrophobicContact CD2-CD1 4Å; W25-I36 HydrophobicContact CD2-CG2 3.94Å; W25-I36 HydrophobicContact CE3-CG2 3.68Å; W25-I36 HydrophobicContact CG-CD1 3.43Å; W25-I36 VanDerWaalsContact CG-CD1 3.43Å; W25-I36 HydrophobicContact CZ3-CG2 4.07Å; W25-V45 HydrophobicContact CH2-CB 4.43Å; W25-V45 HydrophobicContact CH2-CG1 3.88Å; W25-V45 HydrophobicContact CH2-CG2 3.85Å; W25-V45 HydrophobicContact CZ2-CG1 4.21Å; W25-V45 HydrophobicContact CZ3-CG1 4.28Å; W25-V45 HydrophobicContact CZ3-CG2 4.43Å; W25-T57 CarbonylContact C-O 3.58Å; W25-T57 VanDerWaalsContact CA-O 3.29Å; W25-T57 WeakPolarHBondContact CA-O 3.39Å; W25-L64 HydrophobicContact CH2-CD1 3.66Å; W25-L64 HydrophobicContact CZ2-CD1 3.48Å; W25-L64 VanDerWaalsContact CZ2-CD1 3.48Å
26I94.5Very high93.3Very high42 Ų4262.3 Ų62.322%0.21534%0.339CS..EExtended strand (participates in β ladder)trans-119.3138.8175.657.3171.9000109.7C56 T57I26-C56 VanDerWaalsContact O-CA 3.23Å; I26-C56 WeakPolarHBondContact O-CA 3.46Å; I26-T57 WeakPolarHBondContact CG1-O 3.46Å; I26-T57 PolarHBondContact N-O 2.74Å; I26-T57 PolarHBondContact O-N 3.16Å
27S94.1Very high93.2Very high66 Ų6667 Ų6746%0.46235%0.35SS..EExtended strand (participates in β ladder)trans-78.3137.1172.7-670000110.5S34S27-S34 VanDerWaalsContact OG-CB 3.29Å; S27-S34 WeakPolarHBondContact OG-CB 3.28Å
28Q92.5Very high93.1Very high72 Ų7267.4 Ų67.434%0.33635%0.349SS..EExtended strand (participates in β ladder)trans-132.7142.4176.3-62.9-175.3-6.300110.3G54 K55 T57Q28-G54 CarbonylContact O-C 3.56Å; Q28-G54 VanDerWaalsContact O-CA 3.31Å; Q28-G54 WeakPolarHBondContact O-CA 3.49Å; Q28-K55 HydrophobicContact CB-CG 4Å; Q28-K55 PolarHBondContact N-O 3.49Å; Q28-K55 PolarHBondContact O-N 2.94Å; Q28-T57 PolarHBondContact NE2-OG1 2.95Å
29G90.4Very high93.1Very high59 Ų5968.7 Ų68.761%0.60836%0.358SS*.SBendtrans88.6-172.5-179.600000113.8
30N86.5Confident93Very high110 Ų11075.5 Ų75.559%0.58840%0.402SS*.THydrogen-bonded Turntrans-83.6138.1-172.6-70.6-32.4000111.7A32 Y52N30-A32 PolarHBondContact O-N 2.99Å; N30-A32 VanDerWaalsContact O-N 3.07Å; N30-Y52 CarbonylContact O-C 3.49Å
31Y86.3Confident93Very high195 Ų19578.3 Ų78.377%0.76542%0.416SS*.THydrogen-bonded Turntrans45.943.2176.9-54.2-80.5000113.7Y52Y31-Y52 HydrophobicContact CD2-CD1 4.3Å
32A91.6Very high93.3Very high29 Ų2970.6 Ų70.624%0.2438%0.381CS..EExtended strand (participates in β ladder)trans-68.9135.5177.300000110.6N30 G50N30-A32 PolarHBondContact O-N 2.99Å; N30-A32 VanDerWaalsContact O-N 3.07Å; A32-G50 CarbonylContact C-O 3.58Å; A32-G50 WeakPolarHBondContact CA-O 3.33Å
33V90.3Very high93.5Very high52 Ų5268.6 Ų68.632%0.31537%0.367SS..EExtended strand (participates in β ladder)trans-106.5128.3173175.70000107.8Q5 C49 G50 C56Q5-V33 HydrophobicContact CG-CB 4.45Å; V33-C49 WeakPolarHBondContact O-CA 3.37Å; V33-G50 PolarHBondContact N-O 3.32Å; V33-G50 PolarHBondContact O-N 2.02Å; V33-G50 VanDerWaalsContact O-N 3.11Å; V33-C56 PolarHBondContact O-SG 2.83Å; V33-C56 VanDerWaalsContact O-SG 3.32Å
34S94.1Very high93.7Very high49 Ų4973.4 Ų73.434%0.34339%0.385SS..EExtended strand (participates in β ladder)trans-138.197177.5174.60000109.3S27S27-S34 VanDerWaalsContact OG-CB 3.29Å; S27-S34 WeakPolarHBondContact OG-CB 3.28Å
35D95.1Very high94Very high85 Ų8566.7 Ų66.746%0.45536%0.36SS..EExtended strand (participates in β ladder)trans-112.294.8169.1178.214.7000107.6G47 K48D35-G47 CarbonylContact O-C 3.57Å; D35-G47 WeakPolarHBondContact O-CA 3.39Å; D35-K48 HydrophobicContact CB-CB 4.43Å; D35-K48 PolarHBondContact N-O 2.75Å; D35-K48 PolarHBondContact O-N 2.81Å
36I96.4Very high94.2Very high35 Ų3568.8 Ų68.818%0.17938%0.377CS..EExtended strand (participates in β ladder)trans-128.9120.7-173.7-58.9169.3000108.1F8 W25 V45 C56F8-I36 HydrophobicContact CE1-CD1 3.83Å; F8-I36 HydrophobicContact CE1-CG1 3.91Å; F8-I36 HydrophobicContact CZ-CD1 3.8Å; F8-I36 HydrophobicContact CZ-CG1 3.94Å; F8-I36 HydrophobicContact CZ-CG2 3.89Å; W25-I36 HydrophobicContact CB-CD1 3.44Å; W25-I36 VanDerWaalsContact CB-CD1 3.44Å; W25-I36 HydrophobicContact CD2-CD1 4Å; W25-I36 HydrophobicContact CD2-CG2 3.94Å; W25-I36 HydrophobicContact CE3-CG2 3.68Å; W25-I36 HydrophobicContact CG-CD1 3.43Å; W25-I36 VanDerWaalsContact CG-CD1 3.43Å; W25-I36 HydrophobicContact CZ3-CG2 4.07Å; I36-V45 HydrophobicContact CG2-CG1 3.6Å; I36-C56 HydrophobicContact CD1-CB 4.33Å
37K96.4Very high94.2Very high135 Ų13567.2 Ų67.259%0.58737%0.371SS*.EExtended strand (participates in β ladder)trans-114.2122.5-178.3-62.4-179.5-176.8179.70109.1V45 V46K37-V45 VanDerWaalsContact O-CA 3.3Å; K37-V45 WeakPolarHBondContact O-CA 3.42Å; K37-V46 HydrophobicContact CB-CG2 4.12Å; K37-V46 PolarHBondContact N-O 3.27Å; K37-V46 PolarHBondContact O-N 3.12Å
38K95.8Very high94.3Very high70 Ų7068.3 Ų68.330%0.30437%0.368SS..EExtended strand (participates in β ladder)trans-98.9134.7171-175.3170.267.9-172.50108.1L19 T20 E21 A23 R44 V45L19-K38 HydrophobicContact CB-CD 4.18Å; L19-K38 HydrophobicContact CD1-CD 4.36Å; T20-K38 PolarHBondContact O-NZ 2.83Å; E21-K38 PolarHBondContact O-NZ 2.89Å; A23-K38 PolarHBondContact O-NZ 2.82Å; K38-R44 CarbonylContact C-O 3.57Å; K38-R44 WeakPolarHBondContact CA-O 3.34Å; K38-V45 HydrophobicContact CB-CG2 4.31Å; K38-V45 HydrophobicContact CG-CG2 4.17Å
39S96.1Very high94.4Very high27 Ų2765.9 Ų65.919%0.18936%0.358CS..  trans-65.4152.8173.557.20000110.6D41 G42 T43 R44S39-D41 WeakPolarHBondContact CB-OD1 3.34Å; S39-D41 PolarHBondContact O-N 2.92Å; S39-D41 PolarHBondContact OG-OD1 2.99Å; S39-G42 PolarHBondContact O-N 2.9Å; S39-T43 PolarHBondContact OG-N 2.77Å; S39-R44 PolarHBondContact N-O 3.41Å; S39-R44 PolarHBondContact OG-N 3.37Å; S39-R44 PolarHBondContact OG-O 3.39Å
40P95.1Very high94.5Very high146 Ų14663.5 Ų63.595%0.94833%0.334SS*.THydrogen-bonded Turntrans-56.9-35-179.9-26.935.5000113.9G42P40-G42 PolarHBondContact O-N 2.93Å
41D95Very high94.6Very high72 Ų7258.8 Ų58.839%0.38531%0.311SS..THydrogen-bonded Turntrans-78.6-2.817768.5-11.3000113.7S18 S39 T43S18-D41 WeakPolarHBondContact CB-O 3.29Å; S39-D41 WeakPolarHBondContact CB-OD1 3.34Å; S39-D41 PolarHBondContact O-N 2.92Å; S39-D41 PolarHBondContact OG-OD1 2.99Å; D41-T43 HydrophobicContact CB-CG2 4.31Å; D41-T43 PolarHBondContact O-N 2.95Å; D41-T43 PolarHBondContact OD1-N 2.79Å; D41-T43 VanDerWaalsContact OD1-N 3.11Å; D41-T43 PolarHBondContact OD1-OG1 3.29Å; D41-T43 WeakPolarHBondContact OD2-CG2 3.46Å; D41-T43 PolarHBondContact OD2-OG1 3.36Å
42G96.2Very high94.7Very high4 Ų455.8 Ų55.84%0.04130%0.299CS..SBendtrans69.56.2-179.500000115L19 S39 P40L19-G42 WeakPolarHBondContact CB-O 3.41Å; L19-G42 PolarHBondContact N-O 3.14Å; S39-G42 PolarHBondContact O-N 2.9Å; P40-G42 PolarHBondContact O-N 2.93Å
43T97.9Very high94.4Very high7 Ų759.9 Ų59.94%0.04333%0.325CS..SBendtrans-86.4-17.9-175.868.60000113.3L12 S39 D41 L69L12-T43 PolarHBondContact N-O 3.05Å; S39-T43 PolarHBondContact OG-N 2.77Å; D41-T43 HydrophobicContact CB-CG2 4.31Å; D41-T43 PolarHBondContact O-N 2.95Å; D41-T43 PolarHBondContact OD1-N 2.79Å; D41-T43 VanDerWaalsContact OD1-N 3.11Å; D41-T43 PolarHBondContact OD1-OG1 3.29Å; D41-T43 WeakPolarHBondContact OD2-CG2 3.46Å; D41-T43 PolarHBondContact OD2-OG1 3.36Å; T43-L69 HydrophobicContact CG2-CD1 4.45Å
44R97.6Very high94.5Very high102 Ų10257.9 Ų57.939%0.38532%0.315SS..EExtended strand (participates in β ladder)trans-131.2140.3-177.1-66.2-178.517594.8-6.3111.8I10 Y13 K38 S39I10-R44 CarbonylContact O-C 3.58Å; I10-R44 WeakPolarHBondContact O-CA 3.41Å; Y13-R44 VanDerWaalsContact CD1-NH2 3.31Å; K38-R44 CarbonylContact C-O 3.57Å; K38-R44 WeakPolarHBondContact CA-O 3.34Å; S39-R44 PolarHBondContact N-O 3.41Å; S39-R44 PolarHBondContact OG-N 3.37Å; S39-R44 PolarHBondContact OG-O 3.39Å
45V97.8Very high94.4Very high1 Ų161.2 Ų61.21%0.00632%0.323CS..EExtended strand (participates in β ladder)trans-132.3135.2169.7-178.20000108.9F8 S9 I10 L19 W25 I36 K37 K38F8-V45 HydrophobicContact CE2-CG1 3.86Å; F8-V45 HydrophobicContact CZ-CG1 4.27Å; S9-V45 CarbonylContact C-O 3.46Å; S9-V45 WeakPolarHBondContact CA-O 3.4Å; S9-V45 WeakPolarHBondContact CB-O 3.19Å; I10-V45 HydrophobicContact CB-CB 4.01Å; I10-V45 HydrophobicContact CB-CG2 4.34Å; I10-V45 HydrophobicContact CD1-CB 4.32Å; I10-V45 HydrophobicContact CD1-CG2 4.37Å; I10-V45 HydrophobicContact CG1-CB 4.28Å; I10-V45 PolarHBondContact N-O 2.87Å; I10-V45 PolarHBondContact O-N 3.5Å; L19-V45 HydrophobicContact CD1-CG2 3.38Å; W25-V45 HydrophobicContact CH2-CB 4.43Å; W25-V45 HydrophobicContact CH2-CG1 3.88Å; W25-V45 HydrophobicContact CH2-CG2 3.85Å; W25-V45 HydrophobicContact CZ2-CG1 4.21Å; W25-V45 HydrophobicContact CZ3-CG1 4.28Å; W25-V45 HydrophobicContact CZ3-CG2 4.43Å; I36-V45 HydrophobicContact CG2-CG1 3.6Å; K37-V45 VanDerWaalsContact O-CA 3.3Å; K37-V45 WeakPolarHBondContact O-CA 3.42Å; K38-V45 HydrophobicContact CB-CG2 4.31Å; K38-V45 HydrophobicContact CG-CG2 4.17Å
46V97.8Very high94.3Very high87 Ų8758.1 Ų58.153%0.52731%0.308SS..EExtended strand (participates in β ladder)trans-125.7131.5166.4-68.10000108.4K37K37-V46 HydrophobicContact CB-CG2 4.12Å; K37-V46 PolarHBondContact N-O 3.27Å; K37-V46 PolarHBondContact O-N 3.12Å
47G96.1Very high94.1Very high8 Ų858.3 Ų58.38%0.08231%0.311CS..EExtended strand (participates in β ladder)trans-139.2144.4-173.500000113.3R7 F8 D35R7-G47 CarbonylContact C-O 3.21Å; R7-G47 VanDerWaalsContact CA-O 3.29Å; R7-G47 WeakPolarHBondContact CA-O 3.44Å; F8-G47 PolarHBondContact N-O 2.85Å; F8-G47 PolarHBondContact O-N 3.31Å; D35-G47 CarbonylContact O-C 3.57Å; D35-G47 WeakPolarHBondContact O-CA 3.39Å
48K95.3Very high93.9Very high90 Ų9054.2 Ų54.239%0.39130%0.298SS..EExtended strand (participates in β ladder)trans-120.8120.4164.7-165.9-174.8-166.1-155.50107.8Q5 G6 R7 D35Q5-K48 HydrophobicContact CB-CD 4.42Å; Q5-K48 HydrophobicContact CB-CG 3.99Å; G6-K48 WeakPolarHBondContact O-CA 3.33Å; R7-K48 HydrophobicContact CG-CG 4.46Å; D35-K48 HydrophobicContact CB-CB 4.43Å; D35-K48 PolarHBondContact N-O 2.75Å; D35-K48 PolarHBondContact O-N 2.81Å
49C94Very high93.8Very high20 Ų2051 Ų5114%0.13529%0.285CS..EExtended strand (participates in β ladder)trans-141143.9-170.9171.90000111.4Q5 G6 F8 V33 C56Q5-C49 CarbonylContact C-O 3.52Å; Q5-C49 WeakPolarHBondContact CA-O 3.01Å; G6-C49 PolarHBondContact N-O 3.48Å; G6-C49 PolarHBondContact O-N 3.1Å; F8-C49 HydrophobicContact CE1-CB 4.31Å; V33-C49 WeakPolarHBondContact O-CA 3.37Å; C49-C56 VanDerWaalsContact CA-SG 3.57Å; C49-C56 HydrophobicContact CB-CB 4.03Å; C49-C56 WeakPolarHBondContact CB-SG 3.25Å; C49-C56 WeakPolarHBondContact SG-CA 3.44Å; C49-C56 WeakPolarHBondContact SG-CB 2.88Å; C49-C56 PolarHBondContact SG-N 3.3Å; C49-C56 CovalentContact SG-SG 2.02Å; C49-C56 PolarHBondContact SG-SG 2.82Å
50G92.5Very high93.3Very high10 Ų1055.3 Ų55.310%0.10332%0.315CS..EExtended strand (participates in β ladder)trans149.7-142.1174.600000110.9A32 V33 G54A32-G50 CarbonylContact C-O 3.58Å; A32-G50 WeakPolarHBondContact CA-O 3.33Å; V33-G50 PolarHBondContact N-O 3.32Å; V33-G50 PolarHBondContact O-N 2.02Å; V33-G50 VanDerWaalsContact O-N 3.11Å; G50-G54 CarbonylContact C-O 3.58Å; G50-G54 WeakPolarHBondContact CA-O 3.29Å
51G89.6Confident92.9Very high10 Ų1051.7 Ų51.710%0.10330%0.304CS..EExtended strand (participates in β ladder)trans127-163.3179.900000113C3 P4 C53C3-G51 VanDerWaalsContact CB-O 3.25Å; C3-G51 WeakPolarHBondContact CB-O 3.29Å; P4-G51 PolarHBondContact O-N 3.29Å; G51-C53 PolarHBondContact O-N 3.11Å
52Y89.1Confident92.4Very high132 Ų13250.8 Ų50.852%0.51830%0.301SS..SBendtrans-81.185.5-176.1-170.6-112.2000111.3A1 C3 N30 Y31 G54A1-Y52 HydrophobicContact CB-CD2 4.21Å; C3-Y52 WeakPolarHBondContact SG-CA 3.19Å; C3-Y52 WeakPolarHBondContact SG-CB 3.44Å; C3-Y52 WeakPolarHBondContact SG-CD2 3.41Å; N30-Y52 CarbonylContact O-C 3.49Å; Y31-Y52 HydrophobicContact CD2-CD1 4.3Å; Y52-G54 PolarHBondContact O-N 3.04Å
53C85.1Confident92.2Very high115 Ų11552 Ų5278%0.77731%0.313SS*.SBendtrans59.221.7-165.3-55.40000112.5G51G51-C53 PolarHBondContact O-N 3.11Å
54G91Very high91.9Very high11 Ų1155.2 Ų55.211%0.11333%0.33CS..  trans-92.7143173.800000111.1Q28 G50 Y52Q28-G54 CarbonylContact O-C 3.56Å; Q28-G54 VanDerWaalsContact O-CA 3.31Å; Q28-G54 WeakPolarHBondContact O-CA 3.49Å; G50-G54 CarbonylContact C-O 3.58Å; G50-G54 WeakPolarHBondContact CA-O 3.29Å; Y52-G54 PolarHBondContact O-N 3.04Å
55K91.8Very high91.8Very high118 Ų11855.1 Ų55.151%0.51333%0.334SS..EExtended strand (participates in β ladder)trans-135.7168.4173.569-176.6-175.1-178.40110Q28 T57Q28-K55 HydrophobicContact CB-CG 4Å; Q28-K55 PolarHBondContact N-O 3.49Å; Q28-K55 PolarHBondContact O-N 2.94Å; K55-T57 HydrophobicContact CD-CG2 4.34Å; K55-T57 HydrophobicContact CG-CG2 4.45Å
56C93Very high91.7Very high21 Ų2158.3 Ų58.314%0.14235%0.353CS..EExtended strand (participates in β ladder)trans-129.1134.9172.2-20.10000108.1I26 V33 I36 C49I26-C56 VanDerWaalsContact O-CA 3.23Å; I26-C56 WeakPolarHBondContact O-CA 3.46Å; V33-C56 PolarHBondContact O-SG 2.83Å; V33-C56 VanDerWaalsContact O-SG 3.32Å; I36-C56 HydrophobicContact CD1-CB 4.33Å; C49-C56 VanDerWaalsContact CA-SG 3.57Å; C49-C56 HydrophobicContact CB-CB 4.03Å; C49-C56 WeakPolarHBondContact CB-SG 3.25Å; C49-C56 WeakPolarHBondContact SG-CA 3.44Å; C49-C56 WeakPolarHBondContact SG-CB 2.88Å; C49-C56 PolarHBondContact SG-N 3.3Å; C49-C56 CovalentContact SG-SG 2.02Å; C49-C56 PolarHBondContact SG-SG 2.82Å
57T92.2Very high91.6Very high38 Ų3859.8 Ų59.823%0.23335%0.349CS..EExtended strand (participates in β ladder)trans-128.2154.5179.862.10000108.6W25 I26 Q28 K55 S59W25-T57 CarbonylContact C-O 3.58Å; W25-T57 VanDerWaalsContact CA-O 3.29Å; W25-T57 WeakPolarHBondContact CA-O 3.39Å; I26-T57 WeakPolarHBondContact CG1-O 3.46Å; I26-T57 PolarHBondContact N-O 2.74Å; I26-T57 PolarHBondContact O-N 3.16Å; Q28-T57 PolarHBondContact NE2-OG1 2.95Å; K55-T57 HydrophobicContact CD-CG2 4.34Å; K55-T57 HydrophobicContact CG-CG2 4.45Å; T57-S59 PolarHBondContact O-N 3.36Å
58P93Very high91.6Very high49 Ų4964.9 Ų64.932%0.31838%0.379SS..EExtended strand (participates in β ladder)trans-50.4144.4162.7-24.134.4000110.3R24 S60 L64R24-P58 WeakPolarHBondContact O-CA 3.35Å; P58-S60 PolarHBondContact O-N 3.06Å; P58-L64 HydrophobicContact CB-CB 4.3Å; P58-L64 HydrophobicContact CG-CB 4.19Å
59S92.9Very high91.2Very high4 Ų467.9 Ų67.93%0.02840%0.398CS..  trans-55.3126.3176.21660000109.6R24 T57 G61 T62 G63R24-S59 PolarHBondContact NH2-OG 3.11Å; R24-S59 PolarHBondContact O-N 3.3Å; T57-S59 PolarHBondContact O-N 3.36Å; S59-G61 PolarHBondContact O-N 2.8Å; S59-T62 PolarHBondContact O-N 3.07Å; S59-G63 WeakPolarHBondContact O-CA 3.46Å; S59-G63 PolarHBondContact O-N 2.85Å
60S85.8Confident91.1Very high117 Ų11770.3 Ų70.382%0.81841%0.411SS*.THydrogen-bonded Turntrans-61.2-27.2-178.449.80000113.5P58P58-S60 PolarHBondContact O-N 3.06Å
61G86.5Confident91Very high70 Ų7073.4 Ų73.472%0.72243%0.427SS*.THydrogen-bonded Turntrans-75.3-22179.500000114.7S59S59-G61 PolarHBondContact O-N 2.8Å
62T85.8Confident91.1Very high52 Ų5276.9 Ų76.932%0.31945%0.446SS..THydrogen-bonded Turntrans-127.1-17.9-174.751.60000113.1S22 S59S22-T62 PolarHBondContact O-OG1 2.81Å; S59-T62 PolarHBondContact O-N 3.07Å
63G90.7Very high91.2Very high29 Ų2973.7 Ų73.730%0.29944%0.441SS..  trans61.3-154.1-17300000112.5S59S59-G63 WeakPolarHBondContact O-CA 3.46Å; S59-G63 PolarHBondContact O-N 2.85Å
64L93.4Very high91.6Very high76 Ų7671.1 Ų71.140%0.39842%0.42SS..SBendtrans-105.372.1170.1-171.673.4000108.3I10 L19 W25 P58I10-L64 HydrophobicContact CD1-CD1 4.18Å; I10-L64 HydrophobicContact CD1-CD2 3.95Å; L19-L64 HydrophobicContact CD1-CD1 4.19Å; L19-L64 HydrophobicContact CD2-CD1 3.63Å; L19-L64 HydrophobicContact CD2-CG 3.74Å; W25-L64 HydrophobicContact CH2-CD1 3.66Å; W25-L64 HydrophobicContact CZ2-CD1 3.48Å; W25-L64 VanDerWaalsContact CZ2-CD1 3.48Å; P58-L64 HydrophobicContact CB-CB 4.3Å; P58-L64 HydrophobicContact CG-CB 4.19Å
65E94.4Very high91.6Very high99 Ų9975.1 Ų75.146%0.46344%0.441SS..  trans-73135.9-176.4-171.5-175.3-162.900111.6L19 T20 S22L19-E65 WeakPolarHBondContact CD2-O 3.37Å; T20-E65 HydrophobicContact CG2-CB 4.1Å; T20-E65 HydrophobicContact CG2-CG 3.68Å; T20-E65 PolarHBondContact N-O 3.03Å; T20-E65 VanDerWaalsContact N-O 3.14Å; T20-E65 PolarHBondContact OG1-OE2 3.3Å; S22-E65 PolarHBondContact OG-OE2 3.18Å; S22-E65 VanDerWaalsContact OG-OE2 3.12Å
66V95.4Very high91.6Very high69 Ų6972.1 Ų72.142%0.41844%0.436SS..EExtended strand (participates in β ladder)trans-121.6138.5-179.5-178.40000108.1L12 L17 S18 L19L12-V66 HydrophobicContact CD1-CG1 4.39Å; L17-V66 HydrophobicContact CB-CG1 3.8Å; L17-V66 HydrophobicContact CD1-CG1 4.34Å; L17-V66 HydrophobicContact CD2-CG1 4.22Å; L17-V66 HydrophobicContact CG-CG1 4.34Å; S18-V66 CarbonylContact O-C 3.53Å; S18-V66 WeakPolarHBondContact O-CA 3.31Å; L19-V66 HydrophobicContact CD2-CG2 3.9Å
67R95.7Very high91.5Very high117 Ų11776 Ų7644%0.44246%0.458SS..EExtended strand (participates in β ladder)trans-118.7160.5172.867.7177.2-177.4-154.20.8111.1L17 S18 T20L17-R67 CarbonylContact C-O 3.52Å; L17-R67 WeakPolarHBondContact CA-O 3.15Å; S18-R67 PolarHBondContact N-O 3.24Å; S18-R67 PolarHBondContact O-N 3.18Å; S18-R67 VanDerWaalsContact OG-CG 3.28Å; S18-R67 WeakPolarHBondContact OG-CG 3.23Å; S18-R67 PolarHBondContact OG-NE 3.39Å; T20-R67 HydrophobicContact CG2-CB 4.18Å; T20-R67 HydrophobicContact CG2-CG 4.3Å
68V96.1Very high91.5Very high116 Ų11679.2 Ų79.270%0.70348%0.477SS*.EExtended strand (participates in β ladder)trans-82.8141.6168.7-175.80000109G16 L17G16-V68 WeakPolarHBondContact O-CA 3.47Å; L17-V68 HydrophobicContact CD2-CG2 3.99Å
69L87.9Confident91.3Very high152 Ų15281.9 Ų81.980%0.79649%0.491SS*.  trans-81.90175.5-70.9174.3000112.5G16 T43G16-L69 PolarHBondContact O-N 3.23Å; T43-L69 HydrophobicContact CG2-CD1 4.45Å

Retrieved 69 of 69 residues in 51.1 ms (Link to these results)