G4VMG8_SCHMA Loading...

ACT domain-containing protein

AlphaFold DB , UniProt , Accession G4VMG8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 71 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
1M81.4Confident87Confident174 Ų17465.1 Ų65.186%0.85731%0.313SS*.  0127.60-76-168.2-83.900107.8L44M1-L44 CarbonylContact C-O 3.55Å; M1-L44 WeakPolarHBondContact CA-O 3.07Å
2R85.1Confident87.1Confident81 Ų8171.7 Ų71.731%0.30635%0.351SS..EExtended strand (participates in β ladder)trans-103.8144.7176.6-73.9-79.7-17315112109.6D43 L44 E46 L52 V70 F71R2-D43 WeakPolarHBondContact O-CA 3.39Å; R2-L44 PolarHBondContact N-O 3.32Å; R2-L44 PolarHBondContact O-N 2.89Å; R2-E46 HydrophobicContact CG-CG 3.78Å; R2-E46 VanDerWaalsContact CG-OE1 3.27Å; R2-E46 WeakPolarHBondContact CG-OE1 3.48Å; R2-E46 VanDerWaalsContact CG-OE2 3.26Å; R2-E46 WeakPolarHBondContact CG-OE2 3.42Å; R2-E46 IonicContact CZ-OE1 3.41Å; R2-E46 VanDerWaalsContact NE-CD 3.26Å; R2-E46 IonicContact NE-OE1 2.78Å; R2-E46 PolarHBondContact NE-OE1 3.23Å; R2-E46 IonicContact NE-OE2 3.78Å; R2-E46 PolarHBondContact NE-OE2 2.83Å; R2-E46 VanDerWaalsContact NE-OE2 3.12Å; R2-E46 IonicContact NH2-OE1 3.23Å; R2-E46 PolarHBondContact NH2-OE1 3.18Å; R2-L52 HydrophobicContact CB-CD1 4.33Å; R2-V70 HydrophobicContact CB-CG1 4.31Å; R2-V70 HydrophobicContact CG-CG1 4.47Å; R2-F71 VanDerWaalsContact CD-O 3.3Å; R2-F71 WeakPolarHBondContact CD-O 3.49Å; R2-F71 PolarHBondContact NH1-OXT 3.34Å
3R88.4Confident87.3Confident94 Ų9468.1 Ų68.136%0.35533%0.334SS..EExtended strand (participates in β ladder)trans-93.9121.3172.4177145.5-74.9171.33.2109V5 I29 D43 F71R3-V5 HydrophobicContact CG-CG2 4.45Å; R3-I29 VanDerWaalsContact NH2-CG1 3.35Å; R3-D43 IonicContact CZ-OD1 3.22Å; R3-D43 VanDerWaalsContact CZ-OD1 3.22Å; R3-D43 IonicContact CZ-OD2 2.76Å; R3-D43 IonicContact NE-OD1 2.79Å; R3-D43 PolarHBondContact NE-OD1 3.02Å; R3-D43 IonicContact NH2-OD1 2.9Å; R3-D43 PolarHBondContact NH2-OD1 3.21Å; R3-D43 IonicContact NH2-OD2 2.68Å; R3-D43 PolarHBondContact NH2-OD2 3.39Å; R3-F71 HydrophobicContact CB-CB 4.34Å; R3-F71 PolarHBondContact N-O 3.13Å; R3-F71 PolarHBondContact O-N 3.05Å
4V90.6Very high87.3Confident0 Ų064.1 Ų64.10%032%0.315CS..EExtended strand (participates in β ladder)trans-110.1128.6174.9-1700000108.8I6 V42 L44 L52 F55 V68 V70V4-I6 HydrophobicContact CG1-CD1 4.24Å; V4-I6 HydrophobicContact CG1-CG1 3.83Å; V4-V42 PolarHBondContact N-O 2.87Å; V4-V42 PolarHBondContact O-N 2.9Å; V4-L44 HydrophobicContact CB-CD1 4.42Å; V4-L44 HydrophobicContact CG2-CD1 3.79Å; V4-L52 HydrophobicContact CG2-CD1 3.71Å; V4-F55 HydrophobicContact CG1-CE1 4.09Å; V4-V68 HydrophobicContact CG1-CG1 3.35Å; V4-V70 HydrophobicContact CG1-CG2 4.32Å; V4-V70 HydrophobicContact CG2-CG1 4.41Å; V4-V70 HydrophobicContact CG2-CG2 4.19Å
5V91.3Very high87.5Confident19 Ų1965.6 Ų65.612%0.11533%0.331CS..EExtended strand (participates in β ladder)trans-108125.5174.2-176.60000107.9R3 M39 I40 K69 F71R3-V5 HydrophobicContact CG-CG2 4.45Å; V5-M39 HydrophobicContact CG1-CB 4.08Å; V5-M39 HydrophobicContact CG1-CG 4.31Å; V5-M39 HydrophobicContact CG1-SD 4.41Å; V5-I40 CarbonylContact C-O 3.59Å; V5-I40 WeakPolarHBondContact CA-O 3.3Å; V5-K69 PolarHBondContact N-O 3.29Å; V5-K69 PolarHBondContact O-N 3.25Å; V5-F71 HydrophobicContact CB-CE2 4.25Å; V5-F71 HydrophobicContact CG2-CD2 4.07Å; V5-F71 HydrophobicContact CG2-CE2 3.65Å
6I91.6Very high87.8Confident0 Ų064.4 Ų64.40%033%0.328CS..EExtended strand (participates in β ladder)trans-125.3138.6-170.5-51.2167.4000108.7V4 L17 I21 I40 V42 F55 L59 V66 A67 V68V4-I6 HydrophobicContact CG1-CD1 4.24Å; V4-I6 HydrophobicContact CG1-CG1 3.83Å; I6-L17 HydrophobicContact CB-CD1 4.43Å; I6-L17 HydrophobicContact CD1-CD1 3.77Å; I6-L17 HydrophobicContact CG2-CD1 3.74Å; I6-L17 HydrophobicContact CG2-CD2 4Å; I6-I21 HydrophobicContact CD1-CD1 4.36Å; I6-I21 HydrophobicContact CD1-CG1 4.46Å; I6-I40 HydrophobicContact CB-CB 4.49Å; I6-I40 PolarHBondContact N-O 2.85Å; I6-I40 PolarHBondContact O-N 3.02Å; I6-V42 HydrophobicContact CD1-CG2 3.76Å; I6-F55 HydrophobicContact CD1-CE1 3.84Å; I6-F55 HydrophobicContact CD1-CZ 3.62Å; I6-L59 HydrophobicContact CD1-CD1 3.92Å; I6-L59 HydrophobicContact CG1-CD1 4.33Å; I6-L59 HydrophobicContact CG2-CD1 4.38Å; I6-V66 HydrophobicContact CG2-CG2 3.67Å; I6-A67 WeakPolarHBondContact CA-O 2.91Å; I6-V68 HydrophobicContact CG1-CG1 4.36Å; I6-V68 HydrophobicContact CG2-CG2 4.46Å
7Q89.7Confident88Confident82 Ų8260.6 Ų60.638%0.38331%0.309SS..EExtended strand (participates in β ladder)trans-139.3121.5178.1-175.7173.733.600108.9F37 V66 A67Q7-F37 HydrophobicContact CB-CE2 4.47Å; Q7-F37 VanDerWaalsContact CD-CZ 3.44Å; Q7-F37 HydrophobicContact CG-CD2 4.36Å; Q7-F37 HydrophobicContact CG-CE1 4.2Å; Q7-F37 HydrophobicContact CG-CE2 3.25Å; Q7-F37 HydrophobicContact CG-CZ 3.19Å; Q7-F37 VanDerWaalsContact NE2-CE1 3.28Å; Q7-V66 CarbonylContact O-C 3.53Å; Q7-V66 WeakPolarHBondContact O-CA 2.86Å; Q7-A67 HydrophobicContact CB-CB 4.44Å; Q7-A67 PolarHBondContact N-O 2.83Å; Q7-A67 PolarHBondContact O-N 2.78Å
8C85.3Confident88.1Confident4 Ų459.7 Ų59.73%0.02730%0.304CS..EExtended strand (participates in β ladder)trans-124.5132.5-177.855.10000111.5H10 D13 F37 I63 S65C8-H10 PolarHBondContact O-N 3.19Å; C8-D13 HydrophobicContact CB-CB 4.05Å; C8-F37 VanDerWaalsContact C-CE2 3.48Å; C8-F37 WeakPolarHBondContact O-CD2 3.36Å; C8-F37 WeakPolarHBondContact O-CE2 3.44Å; C8-I63 HydrophobicContact CB-CG2 3.9Å; C8-S65 WeakPolarHBondContact CA-O 3.44Å
9V83.1Confident88.3Confident85 Ų8563.5 Ų63.552%0.51532%0.32SS..SBendtrans-65.1-32.9-166.7175.70000114.3S65V9-S65 VanDerWaalsContact CG2-CB 3.49Å; V9-S65 PolarHBondContact N-O 2.92Å
10H85.7Confident88.5Confident93 Ų9360.4 Ų60.443%0.43130%0.304SS..  trans-108.8137.9-173.1-52.6-69.4000111.7C8 D12 D13C8-H10 PolarHBondContact O-N 3.19Å; H10-D12 PolarHBondContact O-N 3.44Å; H10-D13 WeakPolarHBondContact CB-OD2 3.44Å; H10-D13 IonicContact CD2-OD2 3.54Å; H10-D13 IonicContact CG-OD2 3.85Å; H10-D13 PolarHBondContact N-OD2 3.05Å; H10-D13 VanDerWaalsContact O-CB 3.31Å; H10-D13 WeakPolarHBondContact O-CB 3.21Å; H10-D13 PolarHBondContact O-N 3.41Å
11D84.9Confident88.6Confident84 Ų8457.5 Ų57.545%0.44929%0.29SS..G310 helixtrans-61.7-28.2175.1-67.8-25.2000111.3D13 I14 F37D11-D13 PolarHBondContact O-N 3.18Å; D11-I14 HydrophobicContact CB-CD1 4.32Å; D11-I14 VanDerWaalsContact O-CB 3.32Å; D11-I14 WeakPolarHBondContact O-CB 3.26Å; D11-I14 WeakPolarHBondContact O-CG1 3.36Å; D11-I14 PolarHBondContact O-N 2.69Å; D11-I14 VanDerWaalsContact O-N 3.1Å; D11-F37 PolarHBondContact OD1-N 2.95Å; D11-F37 VanDerWaalsContact OD1-N 3.13Å
12D88.4Confident89Confident144 Ų14454.3 Ų54.377%0.7728%0.276SS*.G310 helixtrans-65.5-18.1174.7-62.6-33.1000113.1H10 P15H10-D12 PolarHBondContact O-N 3.44Å; D12-P15 WeakPolarHBondContact O-CD 3.46Å
13D88.8Confident89.3Confident25 Ų2554.1 Ų54.113%0.13429%0.288CS..G310 helixtrans-82.4-18175.4-60.9-41.6000112.2C8 H10 D11 V16 L17 I63C8-D13 HydrophobicContact CB-CB 4.05Å; H10-D13 WeakPolarHBondContact CB-OD2 3.44Å; H10-D13 IonicContact CD2-OD2 3.54Å; H10-D13 IonicContact CG-OD2 3.85Å; H10-D13 PolarHBondContact N-OD2 3.05Å; H10-D13 VanDerWaalsContact O-CB 3.31Å; H10-D13 WeakPolarHBondContact O-CB 3.21Å; H10-D13 PolarHBondContact O-N 3.41Å; D11-D13 PolarHBondContact O-N 3.18Å; D13-V16 PolarHBondContact O-N 3.47Å; D13-L17 WeakPolarHBondContact O-CB 3.41Å; D13-L17 PolarHBondContact O-N 3.16Å; D13-I63 HydrophobicContact CB-CG1 4.42Å; D13-I63 HydrophobicContact CB-CG2 3.77Å
14I88.3Confident89.3Confident13 Ų1352.2 Ų52.27%0.06728%0.281CS..Hα-helixtrans-60-46.1-176.8-63.8173.1000111.8D11 V16 L17 M18 P34D11-I14 HydrophobicContact CB-CD1 4.32Å; D11-I14 VanDerWaalsContact O-CB 3.32Å; D11-I14 WeakPolarHBondContact O-CB 3.26Å; D11-I14 WeakPolarHBondContact O-CG1 3.36Å; D11-I14 PolarHBondContact O-N 2.69Å; D11-I14 VanDerWaalsContact O-N 3.1Å; I14-V16 VanDerWaalsContact C-N 3.31Å; I14-V16 PolarHBondContact O-N 3.01Å; I14-L17 WeakPolarHBondContact O-CB 3.23Å; I14-L17 PolarHBondContact O-N 3.48Å; I14-M18 HydrophobicContact CG2-CG 4.24Å; I14-M18 WeakPolarHBondContact O-CB 3.25Å; I14-M18 VanDerWaalsContact O-CG 3.25Å; I14-M18 WeakPolarHBondContact O-CG 3.3Å; I14-M18 PolarHBondContact O-N 3.09Å; I14-P34 HydrophobicContact CG2-CB 3.88Å
15P90.2Very high89.2Confident86 Ų8655 Ų5556%0.55831%0.309SS*.Hα-helixtrans-59.2-41.2176.4-24.735.5000112.9D12 M18 E19D12-P15 WeakPolarHBondContact O-CD 3.46Å; P15-M18 PolarHBondContact O-N 2.96Å; P15-E19 PolarHBondContact O-N 3.29Å
16V92.3Very high89Confident46 Ų4654.4 Ų54.428%0.27931%0.307SS..Hα-helixtrans-65-45.2178.1-178.40000110.3D13 I14 M18 E19 I20 K62 I63D13-V16 PolarHBondContact O-N 3.47Å; I14-V16 VanDerWaalsContact C-N 3.31Å; I14-V16 PolarHBondContact O-N 3.01Å; V16-M18 VanDerWaalsContact C-N 3.34Å; V16-M18 PolarHBondContact O-N 3.28Å; V16-E19 PolarHBondContact O-N 3.12Å; V16-I20 HydrophobicContact CG1-CD1 3.97Å; V16-I20 VanDerWaalsContact O-CG1 3.27Å; V16-I20 WeakPolarHBondContact O-CG1 3.48Å; V16-I20 PolarHBondContact O-N 3.34Å; V16-K62 HydrophobicContact CG1-CB 3.98Å; V16-K62 HydrophobicContact CG1-CD 4.38Å; V16-I63 HydrophobicContact CG1-CG1 4.21Å
17L91.1Very high88.8Confident0 Ų057.8 Ų57.80%033%0.331CS..Hα-helixtrans-57.1-46.2174.3171.959.5000111.8I6 D13 I14 I20 I21 I40 L59 I63I6-L17 HydrophobicContact CB-CD1 4.43Å; I6-L17 HydrophobicContact CD1-CD1 3.77Å; I6-L17 HydrophobicContact CG2-CD1 3.74Å; I6-L17 HydrophobicContact CG2-CD2 4Å; D13-L17 WeakPolarHBondContact O-CB 3.41Å; D13-L17 PolarHBondContact O-N 3.16Å; I14-L17 WeakPolarHBondContact O-CB 3.23Å; I14-L17 PolarHBondContact O-N 3.48Å; L17-I20 PolarHBondContact O-N 3.19Å; L17-I21 HydrophobicContact CD1-CD1 3.72Å; L17-I21 HydrophobicContact CD1-CG1 4.06Å; L17-I21 HydrophobicContact CG-CD1 3.76Å; L17-I21 VanDerWaalsContact O-CG1 3.24Å; L17-I21 WeakPolarHBondContact O-CG1 3.37Å; L17-I21 PolarHBondContact O-N 2.83Å; L17-I40 HydrophobicContact CD2-CB 4.48Å; L17-I40 HydrophobicContact CD2-CD1 3.28Å; L17-I40 HydrophobicContact CD2-CG1 4.45Å; L17-I40 HydrophobicContact CG-CD1 4.49Å; L17-L59 HydrophobicContact CD1-CD2 3.4Å; L17-I63 HydrophobicContact CB-CD1 3.8Å; L17-I63 HydrophobicContact CD1-CD1 4.38Å
18M90.1Very high88.8Confident45 Ų4555.8 Ų55.822%0.22232%0.322CS..Hα-helixtrans-65.1-39.2179.4-70.7-63-6000112.3I14 P15 V16 I21 N22 L28 P34I14-M18 HydrophobicContact CG2-CG 4.24Å; I14-M18 WeakPolarHBondContact O-CB 3.25Å; I14-M18 VanDerWaalsContact O-CG 3.25Å; I14-M18 WeakPolarHBondContact O-CG 3.3Å; I14-M18 PolarHBondContact O-N 3.09Å; P15-M18 PolarHBondContact O-N 2.96Å; V16-M18 VanDerWaalsContact C-N 3.34Å; V16-M18 PolarHBondContact O-N 3.28Å; M18-I21 PolarHBondContact O-N 3.37Å; M18-I21 HydrophobicContact SD-CD1 4.36Å; M18-N22 WeakPolarHBondContact O-CB 3.42Å; M18-N22 VanDerWaalsContact O-CG 3.26Å; M18-N22 PolarHBondContact O-N 2.85Å; M18-N22 PolarHBondContact O-ND2 3.31Å; M18-L28 HydrophobicContact CE-CD2 3.92Å; M18-L28 HydrophobicContact SD-CD1 4.14Å; M18-L28 HydrophobicContact SD-CD2 4.07Å; M18-P34 HydrophobicContact SD-CG 4.03Å
19E92.2Very high88.9Confident131 Ų13158.4 Ų58.461%0.61234%0.336SS*.Hα-helixtrans-59.9-47.3173.9-172-177.517000111.1P15 V16 N22 S23P15-E19 PolarHBondContact O-N 3.29Å; V16-E19 PolarHBondContact O-N 3.12Å; E19-N22 PolarHBondContact O-N 3.46Å; E19-S23 WeakPolarHBondContact O-CB 3.27Å; E19-S23 PolarHBondContact O-N 3.5Å
20I92.6Very high88.9Confident1 Ų161.1 Ų61.11%0.00534%0.337CS..Hα-helixtrans-62.6-49.7178-62.1163.2000110V16 L17 N22 S23 Y24 F55 E58 L59 K62V16-I20 HydrophobicContact CG1-CD1 3.97Å; V16-I20 VanDerWaalsContact O-CG1 3.27Å; V16-I20 WeakPolarHBondContact O-CG1 3.48Å; V16-I20 PolarHBondContact O-N 3.34Å; L17-I20 PolarHBondContact O-N 3.19Å; I20-N22 VanDerWaalsContact C-N 3.3Å; I20-N22 PolarHBondContact O-N 2.76Å; I20-S23 PolarHBondContact O-N 2.99Å; I20-S23 VanDerWaalsContact O-N 3.09Å; I20-S23 PolarHBondContact O-OG 3.2Å; I20-Y24 HydrophobicContact CG2-CD2 4Å; I20-Y24 HydrophobicContact CG2-CE2 4.05Å; I20-Y24 WeakPolarHBondContact O-CD2 3.4Å; I20-Y24 PolarHBondContact O-N 3.33Å; I20-Y24 VanDerWaalsContact O-N 3.16Å; I20-F55 HydrophobicContact CG2-CD2 3.89Å; I20-F55 HydrophobicContact CG2-CE2 3.79Å; I20-E58 HydrophobicContact CD1-CG 4.28Å; I20-E58 HydrophobicContact CG1-CG 4.25Å; I20-E58 HydrophobicContact CG2-CB 4.4Å; I20-E58 HydrophobicContact CG2-CG 4.22Å; I20-L59 HydrophobicContact CB-CD2 4.15Å; I20-L59 HydrophobicContact CD1-CD2 3.8Å; I20-L59 HydrophobicContact CG2-CD2 3.91Å; I20-L59 HydrophobicContact CG2-CG 4.23Å; I20-K62 HydrophobicContact CD1-CB 4.03Å; I20-K62 HydrophobicContact CD1-CD 3.78Å; I20-K62 HydrophobicContact CD1-CG 4.47Å; I20-K62 HydrophobicContact CG1-CD 4.15Å
21I90.6Very high88.9Confident1 Ų158.4 Ų58.41%0.00533%0.327CS..Hα-helixtrans-52.6-48.7177.5-70.2163.9000111.3I6 L17 M18 S23 Y24 G25 G26 L28 I40 V42 F55I6-I21 HydrophobicContact CD1-CD1 4.36Å; I6-I21 HydrophobicContact CD1-CG1 4.46Å; L17-I21 HydrophobicContact CD1-CD1 3.72Å; L17-I21 HydrophobicContact CD1-CG1 4.06Å; L17-I21 HydrophobicContact CG-CD1 3.76Å; L17-I21 VanDerWaalsContact O-CG1 3.24Å; L17-I21 WeakPolarHBondContact O-CG1 3.37Å; L17-I21 PolarHBondContact O-N 2.83Å; M18-I21 PolarHBondContact O-N 3.37Å; M18-I21 HydrophobicContact SD-CD1 4.36Å; I21-S23 PolarHBondContact O-N 3.44Å; I21-Y24 PolarHBondContact O-N 3.46Å; I21-G25 PolarHBondContact O-N 2.95Å; I21-G26 WeakPolarHBondContact CG2-O 3.45Å; I21-G26 PolarHBondContact O-N 2.96Å; I21-L28 HydrophobicContact CD1-CD1 4.36Å; I21-I40 HydrophobicContact CD1-CG2 4.33Å; I21-V42 HydrophobicContact CD1-CG2 3.52Å; I21-V42 HydrophobicContact CG1-CG1 4.32Å; I21-V42 HydrophobicContact CG1-CG2 3.94Å; I21-V42 HydrophobicContact CG2-CG1 3.73Å; I21-V42 HydrophobicContact CG2-CG2 4.43Å; I21-F55 HydrophobicContact CG1-CE2 4.11Å; I21-F55 HydrophobicContact CG1-CZ 4.03Å
22N89.8Confident88.4Confident106 Ų10662.7 Ų62.757%0.56735%0.345SS*.Hα-helixtrans-64.9-39.1-179.9-72-34.9000112.4M18 E19 I20 Y24 G25M18-N22 WeakPolarHBondContact O-CB 3.42Å; M18-N22 VanDerWaalsContact O-CG 3.26Å; M18-N22 PolarHBondContact O-N 2.85Å; M18-N22 PolarHBondContact O-ND2 3.31Å; E19-N22 PolarHBondContact O-N 3.46Å; I20-N22 VanDerWaalsContact C-N 3.3Å; I20-N22 PolarHBondContact O-N 2.76Å; N22-Y24 PolarHBondContact O-N 3.04Å; N22-G25 PolarHBondContact O-N 2.86Å
23S90Very high87.9Confident78 Ų7860 Ų6055%0.54534%0.337SS..Hα-helixtrans-63.7-30.5179.4730000113.1E19 I20 I21 G25E19-S23 WeakPolarHBondContact O-CB 3.27Å; E19-S23 PolarHBondContact O-N 3.5Å; I20-S23 PolarHBondContact O-N 2.99Å; I20-S23 VanDerWaalsContact O-N 3.09Å; I20-S23 PolarHBondContact O-OG 3.2Å; I21-S23 PolarHBondContact O-N 3.44Å; S23-G25 VanDerWaalsContact C-N 3.35Å
24Y89.8Confident87.3Confident54 Ų5459.7 Ų59.721%0.21234%0.336CS..THydrogen-bonded Turntrans-92.18.6175.3-75.8-94.5000113.4I20 I21 N22 G26 T51 D54 F55 E58I20-Y24 HydrophobicContact CG2-CD2 4Å; I20-Y24 HydrophobicContact CG2-CE2 4.05Å; I20-Y24 WeakPolarHBondContact O-CD2 3.4Å; I20-Y24 PolarHBondContact O-N 3.33Å; I20-Y24 VanDerWaalsContact O-N 3.16Å; I21-Y24 PolarHBondContact O-N 3.46Å; N22-Y24 PolarHBondContact O-N 3.04Å; Y24-G26 PolarHBondContact O-N 2.68Å; Y24-T51 HydrophobicContact CD1-CG2 3.86Å; Y24-T51 HydrophobicContact CE1-CG2 4.39Å; Y24-D54 HydrophobicContact CE1-CB 4.09Å; Y24-D54 PolarHBondContact OH-O 2.93Å; Y24-F55 HydrophobicContact CD1-CB 3.84Å; Y24-F55 HydrophobicContact CD1-CD2 4.33Å; Y24-F55 HydrophobicContact CD2-CB 4.38Å; Y24-F55 AromaticContact CD2-CD2 3.64Å; Y24-F55 HydrophobicContact CD2-CD2 3.64Å; Y24-F55 HydrophobicContact CD2-CE2 4.5Å; Y24-F55 HydrophobicContact CE1-CB 3.92Å; Y24-F55 HydrophobicContact CE2-CB 4.45Å; Y24-F55 HydrophobicContact CE2-CD2 4.23Å; Y24-F55 HydrophobicContact CG-CB 4.08Å; Y24-F55 AromaticContact CG-CD2 3.69Å; Y24-F55 HydrophobicContact CG-CD2 3.69Å; Y24-F55 HydrophobicContact CG-CG 4.36Å; Y24-E58 HydrophobicContact CE2-CB 4.31Å; Y24-E58 VanDerWaalsContact CE2-OE2 3.25Å; Y24-E58 WeakPolarHBondContact CE2-OE2 3.32Å; Y24-E58 PolarHBondContact OH-OE2 2.86Å
25G87Confident86.4Confident57 Ų5766.6 Ų66.659%0.58837%0.368SS*.THydrogen-bonded Turntrans64.125.8-178.800000113.6I21 N22 S23I21-G25 PolarHBondContact O-N 2.95Å; N22-G25 PolarHBondContact O-N 2.86Å; S23-G25 VanDerWaalsContact C-N 3.35Å
26G87Confident85.4Confident8 Ų871.8 Ų71.88%0.08238%0.377CS..PPolyproline II helixtrans-72.2135.517800000111.7I21 Y24 D43I21-G26 WeakPolarHBondContact CG2-O 3.45Å; I21-G26 PolarHBondContact O-N 2.96Å; Y24-G26 PolarHBondContact O-N 2.68Å; G26-D43 WeakPolarHBondContact CA-O 3.45Å
27S88.9Confident84.1Confident71 Ų7173.9 Ų73.950%0.49738%0.382SS..EExtended strand (participates in β ladder)trans-93118.6173.9-175.80000109.7I29 V42 D43S27-I29 PolarHBondContact O-N 3.02Å; S27-V42 CarbonylContact O-C 3.55Å; S27-V42 WeakPolarHBondContact O-CA 3.5Å; S27-D43 PolarHBondContact N-O 3.48Å; S27-D43 PolarHBondContact O-N 3.3Å
28L88.5Confident83Confident39 Ų3978.8 Ų78.820%0.20441%0.408CS..EExtended strand (participates in β ladder)trans-68.5128.7172.9-165.574.2000110.5M18 I21 P31 P34 I40 V42M18-L28 HydrophobicContact CE-CD2 3.92Å; M18-L28 HydrophobicContact SD-CD1 4.14Å; M18-L28 HydrophobicContact SD-CD2 4.07Å; I21-L28 HydrophobicContact CD1-CD1 4.36Å; L28-P31 WeakPolarHBondContact CD2-O 3.27Å; L28-P31 WeakPolarHBondContact CG-O 3.24Å; L28-P34 HydrophobicContact CD1-CG 4.5Å; L28-P34 HydrophobicContact CD2-CG 4.01Å; L28-I40 HydrophobicContact CD1-CG2 3.43Å; L28-I40 VanDerWaalsContact CD1-CG2 3.43Å; L28-V42 HydrophobicContact CD1-CG2 4.33Å
29I87.1Confident82.7Confident60 Ų6081.9 Ų81.931%0.30842%0.423SS..EExtended strand (participates in β ladder)trans-104.2-48.1-176.6-54.1-64.4000110.6R3 S27 H41 D43R3-I29 VanDerWaalsContact NH2-CG1 3.35Å; S27-I29 PolarHBondContact O-N 3.02Å; I29-H41 HydrophobicContact CB-CB 3.98Å; I29-H41 WeakPolarHBondContact CB-O 3.25Å; I29-H41 PolarHBondContact N-O 3.31Å; I29-D43 HydrophobicContact CD1-CB 4.08Å; I29-D43 VanDerWaalsContact CD1-OD2 3.23Å; I29-D43 WeakPolarHBondContact CD1-OD2 3.32Å; I29-D43 HydrophobicContact CG1-CB 4.26Å
30R84.3Confident82.5Confident142 Ų14275.8 Ų75.854%0.53640%0.395SS..EExtended strand (participates in β ladder)trans-162148.7174.859.2178.1-171-178.17.5111.7I40 H41R30-I40 CarbonylContact O-C 3.59Å; R30-I40 WeakPolarHBondContact O-CA 3.34Å; R30-H41 HydrophobicContact CG-CB 3.78Å; R30-H41 PolarHBondContact N-O 3.28Å; R30-H41 PolarHBondContact NE-CD2 3.37Å; R30-H41 PolarHBondContact NE-NE2 3.44Å; R30-H41 VanDerWaalsContact NE-NE2 3.16Å; R30-H41 PolarHBondContact NH2-CE1 2.97Å; R30-H41 PolarHBondContact NH2-NE2 3.33Å; R30-H41 PolarHBondContact O-N 3.31Å
31P84.8Confident82.4Confident35 Ų3576.7 Ų76.723%0.22740%0.399CS..SBendcis-63.8153.8-15.628.8-34.4000111L28 S33 P34L28-P31 WeakPolarHBondContact CD2-O 3.27Å; L28-P31 WeakPolarHBondContact CG-O 3.24Å; P31-S33 PolarHBondContact O-N 3.48Å; P31-P34 HydrophobicContact CG-CB 3.82Å; P31-P34 HydrophobicContact CG-CG 3.97Å
32Q75.8Confident82.3Confident175 Ų17576.6 Ų76.682%0.81840%0.399SS*.SBendtrans-64.9-24.2178.7-71.1-178.6-3.500112.7
33S77.2Confident82.3Confident87 Ų8773.1 Ų73.161%0.60838%0.38SS*.SBendtrans-142.789.5176-60.50000108P31 Q35P31-S33 PolarHBondContact O-N 3.48Å; S33-Q35 PolarHBondContact O-N 3.06Å
34P76.9Confident82.2Confident18 Ų1869.8 Ų69.812%0.11736%0.356CS..  trans-66.1116.6178.1-8.222.9000108.5I14 M18 L28 P31 I40I14-P34 HydrophobicContact CG2-CB 3.88Å; M18-P34 HydrophobicContact SD-CG 4.03Å; L28-P34 HydrophobicContact CD1-CG 4.5Å; L28-P34 HydrophobicContact CD2-CG 4.01Å; P31-P34 HydrophobicContact CG-CB 3.82Å; P31-P34 HydrophobicContact CG-CG 3.97Å; P34-I40 HydrophobicContact CB-CD1 3.9Å; P34-I40 HydrophobicContact CB-CG1 4.23Å; P34-I40 HydrophobicContact CG-CD1 4.09Å; P34-I40 HydrophobicContact CG-CG1 4.24Å
35Q68.7Low81.7Confident159 Ų15970.2 Ų70.274%0.74337%0.367SS*.  trans-120.9-11.8175.1-66.8-174.95.300112.3S33S33-Q35 PolarHBondContact O-N 3.06Å
36R69.6Low80.8Confident194 Ų19470.5 Ų70.573%0.73235%0.353SS*.SBendtrans-145.3156.9-178.6-60.8-171.1-172.3-158.91108.1D38R36-D38 PolarHBondContact O-N 3.35Å
37F63.7Low79.9Confident91 Ų9177.7 Ų77.740%0.39939%0.385SS..SBendtrans-53101.8174-174.6-112.5000113.6Q7 C8 D11Q7-F37 HydrophobicContact CB-CE2 4.47Å; Q7-F37 VanDerWaalsContact CD-CZ 3.44Å; Q7-F37 HydrophobicContact CG-CD2 4.36Å; Q7-F37 HydrophobicContact CG-CE1 4.2Å; Q7-F37 HydrophobicContact CG-CE2 3.25Å; Q7-F37 HydrophobicContact CG-CZ 3.19Å; Q7-F37 VanDerWaalsContact NE2-CE1 3.28Å; C8-F37 VanDerWaalsContact C-CE2 3.48Å; C8-F37 WeakPolarHBondContact O-CD2 3.36Å; C8-F37 WeakPolarHBondContact O-CE2 3.44Å; D11-F37 PolarHBondContact OD1-N 2.95Å; D11-F37 VanDerWaalsContact OD1-N 3.13Å
38D67.6Low78.5Confident102 Ų10279.5 Ų79.555%0.54539%0.389SS..  trans-136.2159.9168-85.3-41.8000108.9R36 I40R36-D38 PolarHBondContact O-N 3.35Å; D38-I40 PolarHBondContact O-N 3.31Å; D38-I40 VanDerWaalsContact O-N 3.08Å
39M84.2Confident77.4Confident110 Ų11084.4 Ų84.454%0.54241%0.411SS..  trans-60.4115.1170.5-75.3-179.4-77.500109.6V5 H41V5-M39 HydrophobicContact CG1-CB 4.08Å; V5-M39 HydrophobicContact CG1-CG 4.31Å; V5-M39 HydrophobicContact CG1-SD 4.41Å; M39-H41 PolarHBondContact O-CD2 3.29Å
40I87.5Confident76.8Confident4 Ų485.7 Ų85.72%0.02142%0.422CS..EExtended strand (participates in β ladder)trans-89.6121.3178.2-69164.8000108.6V5 I6 L17 I21 L28 R30 P34 D38 V42V5-I40 CarbonylContact C-O 3.59Å; V5-I40 WeakPolarHBondContact CA-O 3.3Å; I6-I40 HydrophobicContact CB-CB 4.49Å; I6-I40 PolarHBondContact N-O 2.85Å; I6-I40 PolarHBondContact O-N 3.02Å; L17-I40 HydrophobicContact CD2-CB 4.48Å; L17-I40 HydrophobicContact CD2-CD1 3.28Å; L17-I40 HydrophobicContact CD2-CG1 4.45Å; L17-I40 HydrophobicContact CG-CD1 4.49Å; I21-I40 HydrophobicContact CD1-CG2 4.33Å; L28-I40 HydrophobicContact CD1-CG2 3.43Å; L28-I40 VanDerWaalsContact CD1-CG2 3.43Å; R30-I40 CarbonylContact O-C 3.59Å; R30-I40 WeakPolarHBondContact O-CA 3.34Å; P34-I40 HydrophobicContact CB-CD1 3.9Å; P34-I40 HydrophobicContact CB-CG1 4.23Å; P34-I40 HydrophobicContact CG-CD1 4.09Å; P34-I40 HydrophobicContact CG-CG1 4.24Å; D38-I40 PolarHBondContact O-N 3.31Å; D38-I40 VanDerWaalsContact O-N 3.08Å; I40-V42 HydrophobicContact CG2-CG2 3.87Å
41H91.1Very high76.7Confident19 Ų1981.1 Ų81.19%0.08841%0.409CS..EExtended strand (participates in β ladder)trans-101.2127.8176.2-70.1-113000109.5I29 R30 M39I29-H41 HydrophobicContact CB-CB 3.98Å; I29-H41 WeakPolarHBondContact CB-O 3.25Å; I29-H41 PolarHBondContact N-O 3.31Å; R30-H41 HydrophobicContact CG-CB 3.78Å; R30-H41 PolarHBondContact N-O 3.28Å; R30-H41 PolarHBondContact NE-CD2 3.37Å; R30-H41 PolarHBondContact NE-NE2 3.44Å; R30-H41 VanDerWaalsContact NE-NE2 3.16Å; R30-H41 PolarHBondContact NH2-CE1 2.97Å; R30-H41 PolarHBondContact NH2-NE2 3.33Å; R30-H41 PolarHBondContact O-N 3.31Å; M39-H41 PolarHBondContact O-CD2 3.29Å
42V90Very high76.8Confident0 Ų080.3 Ų80.30%040%0.403CS..EExtended strand (participates in β ladder)trans-127.6134.5-179.7-171.60000108.4V4 I6 I21 S27 L28 I40 L44V4-V42 PolarHBondContact N-O 2.87Å; V4-V42 PolarHBondContact O-N 2.9Å; I6-V42 HydrophobicContact CD1-CG2 3.76Å; I21-V42 HydrophobicContact CD1-CG2 3.52Å; I21-V42 HydrophobicContact CG1-CG1 4.32Å; I21-V42 HydrophobicContact CG1-CG2 3.94Å; I21-V42 HydrophobicContact CG2-CG1 3.73Å; I21-V42 HydrophobicContact CG2-CG2 4.43Å; S27-V42 CarbonylContact O-C 3.55Å; S27-V42 WeakPolarHBondContact O-CA 3.5Å; L28-V42 HydrophobicContact CD1-CG2 4.33Å; I40-V42 HydrophobicContact CG2-CG2 3.87Å; V42-L44 HydrophobicContact CG1-CG 4.14Å
43D89.6Confident77.4Confident33 Ų3376.2 Ų76.218%0.17639%0.387CS..EExtended strand (participates in β ladder)trans-97.2120.2164.2-72.9-13.9000108.7R2 R3 G26 S27 I29R2-D43 WeakPolarHBondContact O-CA 3.39Å; R3-D43 IonicContact CZ-OD1 3.22Å; R3-D43 VanDerWaalsContact CZ-OD1 3.22Å; R3-D43 IonicContact CZ-OD2 2.76Å; R3-D43 IonicContact NE-OD1 2.79Å; R3-D43 PolarHBondContact NE-OD1 3.02Å; R3-D43 IonicContact NH2-OD1 2.9Å; R3-D43 PolarHBondContact NH2-OD1 3.21Å; R3-D43 IonicContact NH2-OD2 2.68Å; R3-D43 PolarHBondContact NH2-OD2 3.39Å; G26-D43 WeakPolarHBondContact CA-O 3.45Å; S27-D43 PolarHBondContact N-O 3.48Å; S27-D43 PolarHBondContact O-N 3.3Å; I29-D43 HydrophobicContact CD1-CB 4.08Å; I29-D43 VanDerWaalsContact CD1-OD2 3.23Å; I29-D43 WeakPolarHBondContact CD1-OD2 3.32Å; I29-D43 HydrophobicContact CG1-CB 4.26Å
44L86.3Confident78Confident7 Ų775.2 Ų75.24%0.03737%0.374CS..EExtended strand (participates in β ladder)trans-103.5133.6175.9-82.5158.7000109.9M1 R2 V4 V42 E46 L52 F55M1-L44 CarbonylContact C-O 3.55Å; M1-L44 WeakPolarHBondContact CA-O 3.07Å; R2-L44 PolarHBondContact N-O 3.32Å; R2-L44 PolarHBondContact O-N 2.89Å; V4-L44 HydrophobicContact CB-CD1 4.42Å; V4-L44 HydrophobicContact CG2-CD1 3.79Å; V42-L44 HydrophobicContact CG1-CG 4.14Å; L44-E46 PolarHBondContact O-N 2.78Å; L44-L52 HydrophobicContact CD1-CD1 4.4Å; L44-F55 HydrophobicContact CD1-CB 4.42Å; L44-F55 HydrophobicContact CD1-CD1 3.39Å; L44-F55 HydrophobicContact CD1-CD2 4.01Å; L44-F55 HydrophobicContact CD1-CE1 3.46Å; L44-F55 VanDerWaalsContact CD1-CE1 3.46Å; L44-F55 HydrophobicContact CD1-CE2 4.07Å; L44-F55 HydrophobicContact CD1-CG 3.66Å; L44-F55 HydrophobicContact CD1-CZ 3.81Å; L44-F55 HydrophobicContact CD2-CD2 4.46Å
45S80.3Confident78.7Confident63 Ų6374.3 Ų74.344%0.44137%0.369SS..  trans-71109.7172.1-166.90000108.6E47S45-E47 VanDerWaalsContact C-N 3.29Å; S45-E47 PolarHBondContact O-N 2.86Å
46E67.6Low79.8Confident64 Ų6468 Ų6830%0.29934%0.341SS..  trans-75.986.6170.6-113.6-179.1172.300107.2R2 L44R2-E46 HydrophobicContact CG-CG 3.78Å; R2-E46 VanDerWaalsContact CG-OE1 3.27Å; R2-E46 WeakPolarHBondContact CG-OE1 3.48Å; R2-E46 VanDerWaalsContact CG-OE2 3.26Å; R2-E46 WeakPolarHBondContact CG-OE2 3.42Å; R2-E46 IonicContact CZ-OE1 3.41Å; R2-E46 VanDerWaalsContact NE-CD 3.26Å; R2-E46 IonicContact NE-OE1 2.78Å; R2-E46 PolarHBondContact NE-OE1 3.23Å; R2-E46 IonicContact NE-OE2 3.78Å; R2-E46 PolarHBondContact NE-OE2 2.83Å; R2-E46 VanDerWaalsContact NE-OE2 3.12Å; R2-E46 IonicContact NH2-OE1 3.23Å; R2-E46 PolarHBondContact NH2-OE1 3.18Å; L44-E46 PolarHBondContact O-N 2.78Å
47E67.4Low80.9Confident159 Ų15964.9 Ų64.974%0.74333%0.333SS*.SBendtrans-71-39.6160.8-68-167.7165.500109.3S45S45-E47 VanDerWaalsContact C-N 3.29Å; S45-E47 PolarHBondContact O-N 2.86Å
48N60.3Low82.4Confident109 Ų10962.8 Ų62.858%0.58332%0.324SS*.  trans-152.1155.7174.8-72.2-45.1000111.8T50 T51N48-T50 PolarHBondContact O-N 2.79Å; N48-T51 WeakPolarHBondContact O-CB 3.41Å; N48-T51 PolarHBondContact O-N 3.29Å; N48-T51 PolarHBondContact O-OG1 2.8Å
49E64.9Low83.6Confident141 Ų14158 Ų5866%0.65930%0.298SS*.Hα-helixtrans-57.8-29.5176.5-74-173.5158.300113.3T51 L52 N53E49-T51 VanDerWaalsContact C-N 3.3Å; E49-T51 PolarHBondContact O-N 3.49Å; E49-L52 PolarHBondContact O-N 2.82Å; E49-N53 PolarHBondContact O-N 2.9Å; E49-N53 PolarHBondContact O-ND2 3.37Å
50T74.7Confident84Confident88 Ų8858.3 Ų58.354%0.5430%0.298SS..Hα-helixtrans-60.6-41179.1-39.60000111.3N48 L52 N53 D54N48-T50 PolarHBondContact O-N 2.79Å; T50-L52 VanDerWaalsContact C-N 3.31Å; T50-L52 PolarHBondContact O-N 2.79Å; T50-N53 PolarHBondContact O-N 3.06Å; T50-D54 WeakPolarHBondContact O-CB 3.47Å; T50-D54 PolarHBondContact O-N 3.26Å
51T83.2Confident84.3Confident45 Ų4562.4 Ų62.428%0.27633%0.328SS..Hα-helixtrans-60.4-40.9-178.6-49.50000112.1Y24 N48 E49 F55Y24-T51 HydrophobicContact CD1-CG2 3.86Å; Y24-T51 HydrophobicContact CE1-CG2 4.39Å; N48-T51 WeakPolarHBondContact O-CB 3.41Å; N48-T51 PolarHBondContact O-N 3.29Å; N48-T51 PolarHBondContact O-OG1 2.8Å; E49-T51 VanDerWaalsContact C-N 3.3Å; E49-T51 PolarHBondContact O-N 3.49Å; T51-F55 WeakPolarHBondContact O-CB 3.42Å; T51-F55 PolarHBondContact O-N 3.27Å
52L85.8Confident84.4Confident19 Ų1966.5 Ų66.510%0.09935%0.345CS..Hα-helixtrans-68.2-44.6178.5-177.281.7000111.1R2 V4 L44 E49 T50 D54 F55 V56 V70R2-L52 HydrophobicContact CB-CD1 4.33Å; V4-L52 HydrophobicContact CG2-CD1 3.71Å; L44-L52 HydrophobicContact CD1-CD1 4.4Å; E49-L52 PolarHBondContact O-N 2.82Å; T50-L52 VanDerWaalsContact C-N 3.31Å; T50-L52 PolarHBondContact O-N 2.79Å; L52-D54 VanDerWaalsContact C-N 3.33Å; L52-D54 PolarHBondContact O-N 3.26Å; L52-F55 WeakPolarHBondContact O-CB 3.42Å; L52-F55 PolarHBondContact O-N 3.04Å; L52-V56 WeakPolarHBondContact O-CG2 3.3Å; L52-V56 PolarHBondContact O-N 3.25Å; L52-V70 HydrophobicContact CD1-CG1 4.04Å; L52-V70 HydrophobicContact CD1-CG2 4.15Å; L52-V70 HydrophobicContact CD2-CB 4.36Å; L52-V70 HydrophobicContact CD2-CG1 3.58Å; L52-V70 HydrophobicContact CD2-CG2 4.07Å; L52-V70 HydrophobicContact CG-CG1 4.36Å; L52-V70 HydrophobicContact CG-CG2 4.31Å
53N88.3Confident84.4Confident89 Ų8966.5 Ų66.548%0.47635%0.345SS..Hα-helixtrans-65.3-39178.6-73.6-34.3000111.8E49 T50 V56 K57E49-N53 PolarHBondContact O-N 2.9Å; E49-N53 PolarHBondContact O-ND2 3.37Å; T50-N53 PolarHBondContact O-N 3.06Å; N53-V56 PolarHBondContact O-N 2.79Å; N53-K57 WeakPolarHBondContact O-CB 3.49Å; N53-K57 VanDerWaalsContact O-CG 3.3Å; N53-K57 WeakPolarHBondContact O-CG 3.37Å; N53-K57 PolarHBondContact O-N 2.78Å
54D90.8Very high84.3Confident65 Ų6573.6 Ų73.635%0.34838%0.377SS..Hα-helixtrans-66.5-41.3176.4-67-22.1000110.9Y24 T50 L52 V56 K57 E58Y24-D54 HydrophobicContact CE1-CB 4.09Å; Y24-D54 PolarHBondContact OH-O 2.93Å; T50-D54 WeakPolarHBondContact O-CB 3.47Å; T50-D54 PolarHBondContact O-N 3.26Å; L52-D54 VanDerWaalsContact C-N 3.33Å; L52-D54 PolarHBondContact O-N 3.26Å; D54-V56 PolarHBondContact O-N 2.99Å; D54-K57 PolarHBondContact O-N 3.4Å; D54-E58 WeakPolarHBondContact O-CB 3.43Å; D54-E58 PolarHBondContact O-N 2.84Å
55F91.5Very high84.4Confident0 Ų075.6 Ų75.60%039%0.392CS..Hα-helixtrans-57-49.2173.3173.5-100.1000112.1V4 I6 I20 I21 Y24 L44 T51 L52 K57 E58 L59V4-F55 HydrophobicContact CG1-CE1 4.09Å; I6-F55 HydrophobicContact CD1-CE1 3.84Å; I6-F55 HydrophobicContact CD1-CZ 3.62Å; I20-F55 HydrophobicContact CG2-CD2 3.89Å; I20-F55 HydrophobicContact CG2-CE2 3.79Å; I21-F55 HydrophobicContact CG1-CE2 4.11Å; I21-F55 HydrophobicContact CG1-CZ 4.03Å; Y24-F55 HydrophobicContact CD1-CB 3.84Å; Y24-F55 HydrophobicContact CD1-CD2 4.33Å; Y24-F55 HydrophobicContact CD2-CB 4.38Å; Y24-F55 AromaticContact CD2-CD2 3.64Å; Y24-F55 HydrophobicContact CD2-CD2 3.64Å; Y24-F55 HydrophobicContact CD2-CE2 4.5Å; Y24-F55 HydrophobicContact CE1-CB 3.92Å; Y24-F55 HydrophobicContact CE2-CB 4.45Å; Y24-F55 HydrophobicContact CE2-CD2 4.23Å; Y24-F55 HydrophobicContact CG-CB 4.08Å; Y24-F55 AromaticContact CG-CD2 3.69Å; Y24-F55 HydrophobicContact CG-CD2 3.69Å; Y24-F55 HydrophobicContact CG-CG 4.36Å; L44-F55 HydrophobicContact CD1-CB 4.42Å; L44-F55 HydrophobicContact CD1-CD1 3.39Å; L44-F55 HydrophobicContact CD1-CD2 4.01Å; L44-F55 HydrophobicContact CD1-CE1 3.46Å; L44-F55 VanDerWaalsContact CD1-CE1 3.46Å; L44-F55 HydrophobicContact CD1-CE2 4.07Å; L44-F55 HydrophobicContact CD1-CG 3.66Å; L44-F55 HydrophobicContact CD1-CZ 3.81Å; L44-F55 HydrophobicContact CD2-CD2 4.46Å; T51-F55 WeakPolarHBondContact O-CB 3.42Å; T51-F55 PolarHBondContact O-N 3.27Å; L52-F55 WeakPolarHBondContact O-CB 3.42Å; L52-F55 PolarHBondContact O-N 3.04Å; F55-K57 PolarHBondContact O-N 3Å; F55-E58 PolarHBondContact O-N 3.34Å; F55-L59 HydrophobicContact CD1-CD1 3.96Å; F55-L59 HydrophobicContact CE1-CD1 3.34Å; F55-L59 HydrophobicContact CE1-CG 4.24Å; F55-L59 HydrophobicContact CE2-CD1 4.27Å; F55-L59 HydrophobicContact CE2-CG 4.41Å; F55-L59 HydrophobicContact CZ-CD1 3.54Å; F55-L59 HydrophobicContact CZ-CD2 4.41Å; F55-L59 HydrophobicContact CZ-CG 4.15Å; F55-L59 WeakPolarHBondContact O-CG 3.4Å; F55-L59 PolarHBondContact O-N 3.46Å
56V90.7Very high84.9Confident25 Ų2574 Ų7415%0.15238%0.379CS..Hα-helixtrans-62.3-44.4178.9176.10000110.9L52 N53 D54 E58 L59 E60 V68 V70L52-V56 WeakPolarHBondContact O-CG2 3.3Å; L52-V56 PolarHBondContact O-N 3.25Å; N53-V56 PolarHBondContact O-N 2.79Å; D54-V56 PolarHBondContact O-N 2.99Å; V56-E58 VanDerWaalsContact C-N 3.34Å; V56-E58 PolarHBondContact O-N 2.8Å; V56-L59 WeakPolarHBondContact O-CB 3.34Å; V56-L59 PolarHBondContact O-N 2.82Å; V56-E60 HydrophobicContact CG1-CG 4.47Å; V56-E60 WeakPolarHBondContact O-CG 3.45Å; V56-E60 PolarHBondContact O-N 2.96Å; V56-V68 HydrophobicContact CG1-CB 4.45Å; V56-V68 HydrophobicContact CG2-CG1 4.02Å; V56-V70 HydrophobicContact CG2-CG2 4.33Å
57K93.3Very high86Confident130 Ų13073.5 Ų73.557%0.56539%0.386SS*.Hα-helixtrans-62.4-40.7177.3-75.9174.9-178.3174.30112.4N53 D54 F55 E60 S61N53-K57 WeakPolarHBondContact O-CB 3.49Å; N53-K57 VanDerWaalsContact O-CG 3.3Å; N53-K57 WeakPolarHBondContact O-CG 3.37Å; N53-K57 PolarHBondContact O-N 2.78Å; D54-K57 PolarHBondContact O-N 3.4Å; F55-K57 PolarHBondContact O-N 3Å; K57-E60 PolarHBondContact O-N 3.1Å; K57-S61 VanDerWaalsContact O-CB 3.3Å; K57-S61 WeakPolarHBondContact O-CB 3.31Å; K57-S61 PolarHBondContact O-N 3.19Å; K57-S61 PolarHBondContact O-OG 3.41Å
58E94.5Very high87.2Confident47 Ų4767.7 Ų67.722%0.2236%0.362CS..Hα-helixtrans-64.8-42.7179.2-173.5162.3170.700110.9I20 Y24 D54 F55 V56 S61 K62I20-E58 HydrophobicContact CD1-CG 4.28Å; I20-E58 HydrophobicContact CG1-CG 4.25Å; I20-E58 HydrophobicContact CG2-CB 4.4Å; I20-E58 HydrophobicContact CG2-CG 4.22Å; Y24-E58 HydrophobicContact CE2-CB 4.31Å; Y24-E58 VanDerWaalsContact CE2-OE2 3.25Å; Y24-E58 WeakPolarHBondContact CE2-OE2 3.32Å; Y24-E58 PolarHBondContact OH-OE2 2.86Å; D54-E58 WeakPolarHBondContact O-CB 3.43Å; D54-E58 PolarHBondContact O-N 2.84Å; F55-E58 PolarHBondContact O-N 3.34Å; V56-E58 VanDerWaalsContact C-N 3.34Å; V56-E58 PolarHBondContact O-N 2.8Å; E58-S61 PolarHBondContact O-N 3.16Å; E58-S61 PolarHBondContact O-OG 3.2Å; E58-K62 HydrophobicContact CG-CD 4.02Å; E58-K62 WeakPolarHBondContact O-CB 3.38Å; E58-K62 PolarHBondContact O-N 3.08Å; E58-K62 WeakPolarHBondContact OE1-CE 3.36Å; E58-K62 IonicContact OE1-NZ 3.12Å; E58-K62 PolarHBondContact OE1-NZ 3.19Å
59L92.9Very high88.6Confident0 Ų068.6 Ų68.60%036%0.361CS..Hα-helixtrans-56.6-53.2172.4-70.5176.1000112I6 L17 I20 F55 V56 S61 K62 I63 V66 V68I6-L59 HydrophobicContact CD1-CD1 3.92Å; I6-L59 HydrophobicContact CG1-CD1 4.33Å; I6-L59 HydrophobicContact CG2-CD1 4.38Å; L17-L59 HydrophobicContact CD1-CD2 3.4Å; I20-L59 HydrophobicContact CB-CD2 4.15Å; I20-L59 HydrophobicContact CD1-CD2 3.8Å; I20-L59 HydrophobicContact CG2-CD2 3.91Å; I20-L59 HydrophobicContact CG2-CG 4.23Å; F55-L59 HydrophobicContact CD1-CD1 3.96Å; F55-L59 HydrophobicContact CE1-CD1 3.34Å; F55-L59 HydrophobicContact CE1-CG 4.24Å; F55-L59 HydrophobicContact CE2-CD1 4.27Å; F55-L59 HydrophobicContact CE2-CG 4.41Å; F55-L59 HydrophobicContact CZ-CD1 3.54Å; F55-L59 HydrophobicContact CZ-CD2 4.41Å; F55-L59 HydrophobicContact CZ-CG 4.15Å; F55-L59 WeakPolarHBondContact O-CG 3.4Å; F55-L59 PolarHBondContact O-N 3.46Å; V56-L59 WeakPolarHBondContact O-CB 3.34Å; V56-L59 PolarHBondContact O-N 2.82Å; L59-S61 PolarHBondContact O-N 2.97Å; L59-K62 PolarHBondContact O-N 3.17Å; L59-I63 HydrophobicContact CD2-CD1 3.92Å; L59-I63 WeakPolarHBondContact O-CB 3.39Å; L59-I63 PolarHBondContact O-N 3.4Å; L59-V66 HydrophobicContact CB-CG1 4.34Å; L59-V68 HydrophobicContact CB-CG2 4.47Å; L59-V68 HydrophobicContact CD1-CG2 3.74Å
60E92.3Very high89.7Confident117 Ų11764.3 Ų64.355%0.54734%0.344SS..Hα-helixtrans-64.1-26.3-178.9-69.6178.5161.600112.8V56 K57 V66V56-E60 HydrophobicContact CG1-CG 4.47Å; V56-E60 WeakPolarHBondContact O-CG 3.45Å; V56-E60 PolarHBondContact O-N 2.96Å; K57-E60 PolarHBondContact O-N 3.1Å; E60-V66 HydrophobicContact CG-CG1 4.05Å
61S94.5Very high90.2Very high91 Ų9166.6 Ų66.664%0.63635%0.346SS*.Hα-helixtrans-80.2-32.3177.776.30000113.8K57 E58 L59K57-S61 VanDerWaalsContact O-CB 3.3Å; K57-S61 WeakPolarHBondContact O-CB 3.31Å; K57-S61 PolarHBondContact O-N 3.19Å; K57-S61 PolarHBondContact O-OG 3.41Å; E58-S61 PolarHBondContact O-N 3.16Å; E58-S61 PolarHBondContact O-OG 3.2Å; L59-S61 PolarHBondContact O-N 2.97Å
62K93.4Very high90.5Very high104 Ų10467.7 Ų67.745%0.45235%0.35SS..Hα-helixtrans-100.3-25.2-174.5-74-177171.6175.70113.2V16 I20 E58 L59V16-K62 HydrophobicContact CG1-CB 3.98Å; V16-K62 HydrophobicContact CG1-CD 4.38Å; I20-K62 HydrophobicContact CD1-CB 4.03Å; I20-K62 HydrophobicContact CD1-CD 3.78Å; I20-K62 HydrophobicContact CD1-CG 4.47Å; I20-K62 HydrophobicContact CG1-CD 4.15Å; E58-K62 HydrophobicContact CG-CD 4.02Å; E58-K62 WeakPolarHBondContact O-CB 3.38Å; E58-K62 PolarHBondContact O-N 3.08Å; E58-K62 WeakPolarHBondContact OE1-CE 3.36Å; E58-K62 IonicContact OE1-NZ 3.12Å; E58-K62 PolarHBondContact OE1-NZ 3.19Å; L59-K62 PolarHBondContact O-N 3.17Å
63I90.8Very high90.8Very high1 Ų170.2 Ų70.21%0.00536%0.363CS..  trans-116.8107.8-177.3-55.6174.2000108.2C8 D13 V16 L17 L59 S65 V66C8-I63 HydrophobicContact CB-CG2 3.9Å; D13-I63 HydrophobicContact CB-CG1 4.42Å; D13-I63 HydrophobicContact CB-CG2 3.77Å; V16-I63 HydrophobicContact CG1-CG1 4.21Å; L17-I63 HydrophobicContact CB-CD1 3.8Å; L17-I63 HydrophobicContact CD1-CD1 4.38Å; L59-I63 HydrophobicContact CD2-CD1 3.92Å; L59-I63 WeakPolarHBondContact O-CB 3.39Å; L59-I63 PolarHBondContact O-N 3.4Å; I63-S65 PolarHBondContact O-N 3Å; I63-V66 HydrophobicContact CB-CB 3.96Å; I63-V66 HydrophobicContact CB-CG1 4.22Å; I63-V66 HydrophobicContact CG2-CB 3.73Å; I63-V66 HydrophobicContact CG2-CG1 4.47Å; I63-V66 HydrophobicContact CG2-CG2 4.48Å
64Q86.5Confident90.9Very high181 Ų18169.2 Ų69.285%0.84636%0.357SS*.THydrogen-bonded Turntrans-59.7-33.9-171.6-174.517812.100113.2
65S89.2Confident90.9Very high50 Ų5069.4 Ų69.435%0.3536%0.357SS..THydrogen-bonded Turntrans-128.772.5-177.7-67.30000110.3C8 V9 I63C8-S65 WeakPolarHBondContact CA-O 3.44Å; V9-S65 VanDerWaalsContact CG2-CB 3.49Å; V9-S65 PolarHBondContact N-O 2.92Å; I63-S65 PolarHBondContact O-N 3Å
66V90.8Very high90.9Very high28 Ų2873.8 Ų73.817%0.1738%0.38CS..EExtended strand (participates in β ladder)trans-112.3139.4174.668.70000111.1I6 Q7 L59 E60 I63 V68I6-V66 HydrophobicContact CG2-CG2 3.67Å; Q7-V66 CarbonylContact O-C 3.53Å; Q7-V66 WeakPolarHBondContact O-CA 2.86Å; L59-V66 HydrophobicContact CB-CG1 4.34Å; E60-V66 HydrophobicContact CG-CG1 4.05Å; I63-V66 HydrophobicContact CB-CB 3.96Å; I63-V66 HydrophobicContact CB-CG1 4.22Å; I63-V66 HydrophobicContact CG2-CB 3.73Å; I63-V66 HydrophobicContact CG2-CG1 4.47Å; I63-V66 HydrophobicContact CG2-CG2 4.48Å; V66-V68 HydrophobicContact CG2-CG2 3.86Å
67A90.8Very high90.9Very high54 Ų5477 Ų7745%0.44640%0.395SS..EExtended strand (participates in β ladder)trans-115.3129167.200000108.6I6 Q7I6-A67 WeakPolarHBondContact CA-O 2.91Å; Q7-A67 HydrophobicContact CB-CB 4.44Å; Q7-A67 PolarHBondContact N-O 2.83Å; Q7-A67 PolarHBondContact O-N 2.78Å
68V91.1Very high90.7Very high38 Ų3873.2 Ų73.223%0.2338%0.383CS..EExtended strand (participates in β ladder)trans-124.4130.6-178.1-170.60000109.6V4 I6 V56 L59 V66V4-V68 HydrophobicContact CG1-CG1 3.35Å; I6-V68 HydrophobicContact CG1-CG1 4.36Å; I6-V68 HydrophobicContact CG2-CG2 4.46Å; V56-V68 HydrophobicContact CG1-CB 4.45Å; V56-V68 HydrophobicContact CG2-CG1 4.02Å; L59-V68 HydrophobicContact CB-CG2 4.47Å; L59-V68 HydrophobicContact CD1-CG2 3.74Å; V66-V68 HydrophobicContact CG2-CG2 3.86Å
69K90.5Very high90.4Very high128 Ų12875.2 Ų75.256%0.55740%0.395SS*.EExtended strand (participates in β ladder)trans-127.2117174.6-172.8173.6-178.9178.20110.1V5 F71V5-K69 PolarHBondContact N-O 3.29Å; V5-K69 PolarHBondContact O-N 3.25Å; K69-F71 HydrophobicContact CB-CE2 4.25Å; K69-F71 HydrophobicContact CD-CE1 4.32Å; K69-F71 HydrophobicContact CD-CE2 3.73Å; K69-F71 HydrophobicContact CD-CZ 3.5Å; K69-F71 VanDerWaalsContact CD-CZ 3.5Å; K69-F71 HydrophobicContact CG-CD2 4.32Å; K69-F71 HydrophobicContact CG-CE2 3.69Å; K69-F71 HydrophobicContact CG-CZ 3.93Å
70V87.8Confident90.2Very high51 Ų5181.5 Ų81.531%0.30943%0.428SS..EExtended strand (participates in β ladder)trans-92.8135.6176.1-175.40000109.5R2 V4 L52 V56R2-V70 HydrophobicContact CB-CG1 4.31Å; R2-V70 HydrophobicContact CG-CG1 4.47Å; V4-V70 HydrophobicContact CG1-CG2 4.32Å; V4-V70 HydrophobicContact CG2-CG1 4.41Å; V4-V70 HydrophobicContact CG2-CG2 4.19Å; L52-V70 HydrophobicContact CD1-CG1 4.04Å; L52-V70 HydrophobicContact CD1-CG2 4.15Å; L52-V70 HydrophobicContact CD2-CB 4.36Å; L52-V70 HydrophobicContact CD2-CG1 3.58Å; L52-V70 HydrophobicContact CD2-CG2 4.07Å; L52-V70 HydrophobicContact CG-CG1 4.36Å; L52-V70 HydrophobicContact CG-CG2 4.31Å; V56-V70 HydrophobicContact CG2-CG2 4.33Å
71F84.8Confident90Very high135 Ų13578.3 Ų78.359%0.59242%0.418SS*.  trans-114.80168.8-61-96000108.8R2 R3 V5 K69R2-F71 VanDerWaalsContact CD-O 3.3Å; R2-F71 WeakPolarHBondContact CD-O 3.49Å; R2-F71 PolarHBondContact NH1-OXT 3.34Å; R3-F71 HydrophobicContact CB-CB 4.34Å; R3-F71 PolarHBondContact N-O 3.13Å; R3-F71 PolarHBondContact O-N 3.05Å; V5-F71 HydrophobicContact CB-CE2 4.25Å; V5-F71 HydrophobicContact CG2-CD2 4.07Å; V5-F71 HydrophobicContact CG2-CE2 3.65Å; K69-F71 HydrophobicContact CB-CE2 4.25Å; K69-F71 HydrophobicContact CD-CE1 4.32Å; K69-F71 HydrophobicContact CD-CE2 3.73Å; K69-F71 HydrophobicContact CD-CZ 3.5Å; K69-F71 VanDerWaalsContact CD-CZ 3.5Å; K69-F71 HydrophobicContact CG-CD2 4.32Å; K69-F71 HydrophobicContact CG-CE2 3.69Å; K69-F71 HydrophobicContact CG-CZ 3.93Å

Retrieved 71 of 71 residues in 27.4 ms (Link to these results)

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