X5J4Z7_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4Z7, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 112 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
1A82.3Confident94.5Very high112 Ų11278.3 Ų78.393%0.92646%0.457SS*.  0141.8000000108L107A1-L107 CarbonylContact C-O 3.57Å; A1-L107 WeakPolarHBondContact CA-O 3.21Å; A1-L107 HydrophobicContact CB-CB 4.06Å
2E89.7Confident94.8Very high71 Ų7172.7 Ų72.733%0.33242%0.424SS..EExtended strand (participates in β ladder)trans-128.3130.6-174.4-159.2169.4156.500110.2V4 V10 L107 V108 T109E2-V4 HydrophobicContact CG-CG1 3.97Å; E2-V10 HydrophobicContact CG-CG2 4.42Å; E2-V10 VanDerWaalsContact OE1-CG2 3.27Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.37Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.39Å; E2-L107 PolarHBondContact N-O 2.8Å; E2-V108 CarbonylContact O-C 3.58Å; E2-V108 WeakPolarHBondContact O-CA 3.35Å; E2-T109 PolarHBondContact O-N 3.46Å
3L94.9Very high95Very high127 Ų12773.1 Ų73.167%0.66543%0.433SS*.EExtended strand (participates in β ladder)trans-109.3120.2177.8-179.566.2000108.6T109 S111L3-T109 WeakPolarHBondContact CA-O 3.47Å; L3-T109 HydrophobicContact CD1-CG2 3.72Å; L3-S111 WeakPolarHBondContact CD1-OG 3.04Å
4V95.9Very high95.2Very high16 Ų1669.1 Ų69.110%0.09741%0.411CS..EExtended strand (participates in β ladder)trans-133.6154.1-174.1-61.30000111.2E2 A8 L78 V108 T109 V110 S111E2-V4 HydrophobicContact CG-CG1 3.97Å; V4-A8 HydrophobicContact CB-CB 4.26Å; V4-L78 HydrophobicContact CB-CD1 4.5Å; V4-L78 HydrophobicContact CG2-CD1 3.5Å; V4-V108 HydrophobicContact CG2-CG1 4.19Å; V4-T109 PolarHBondContact N-O 2.93Å; V4-V110 HydrophobicContact CG2-CB 4.4Å; V4-V110 HydrophobicContact CG2-CG1 4.47Å; V4-V110 HydrophobicContact CG2-CG2 3.85Å; V4-V110 WeakPolarHBondContact O-CA 3.4Å; V4-S111 PolarHBondContact O-N 2.62Å
5R95.9Very high95.3Very high186 Ų18670.7 Ų70.770%0.70242%0.421SS*.  trans-82.3152.5175.9-67.4-178.1-179.6172.11.4111G7 A8R5-G7 PolarHBondContact O-N 3.15Å; R5-A8 WeakPolarHBondContact O-CB 3.35Å; R5-A8 PolarHBondContact O-N 3.1Å; R5-A8 VanDerWaalsContact O-N 3.1Å
6P97Very high95.1Very high74 Ų7466.9 Ų66.948%0.48140%0.4SS..THydrogen-bonded Turntrans-52.6139.3169.9-25.333.8000112A8 L78 V110 S111P6-A8 VanDerWaalsContact C-N 3.26Å; P6-A8 PolarHBondContact O-N 3.24Å; P6-L78 CarbonylContact C-O 3.54Å; P6-L78 WeakPolarHBondContact CA-O 3.28Å; P6-V110 HydrophobicContact CB-CG1 4.45Å; P6-V110 HydrophobicContact CG-CG1 4.19Å; P6-S111 WeakPolarHBondContact CD-O 3.39Å
7G95.7Very high94.9Very high54 Ų5469.4 Ų69.456%0.55742%0.422SS*.THydrogen-bonded Turntrans83.6-12.3-17600000114.9R5 L78R5-G7 PolarHBondContact O-N 3.15Å; G7-L78 PolarHBondContact N-O 2.85Å
8A96.4Very high94.6Very high34 Ų3470.3 Ų70.328%0.28145%0.448SS..  trans-69.4168.3175.300000112.1V4 R5 P6 S77 L78V4-A8 HydrophobicContact CB-CB 4.26Å; R5-A8 WeakPolarHBondContact O-CB 3.35Å; R5-A8 PolarHBondContact O-N 3.1Å; R5-A8 VanDerWaalsContact O-N 3.1Å; P6-A8 VanDerWaalsContact C-N 3.26Å; P6-A8 PolarHBondContact O-N 3.24Å; A8-S77 PolarHBondContact O-N 2.96Å; A8-L78 WeakPolarHBondContact O-CB 3.37Å; A8-L78 WeakPolarHBondContact O-CG 3.3Å; A8-L78 PolarHBondContact O-N 2.91Å
9S96.9Very high94.1Very high65 Ų6569.8 Ų69.846%0.45544%0.438SS..  trans-116.4149.6170.6-55.50000110L75 S76S9-L75 CarbonylContact C-O 3.57Å; S9-L75 WeakPolarHBondContact CA-O 3.23Å; S9-L75 VanDerWaalsContact CB-O 3.3Å; S9-L75 WeakPolarHBondContact CB-O 3.3Å; S9-S76 WeakPolarHBondContact OG-CA 3.45Å
10V97.2Very high94Very high3 Ų369.7 Ų69.72%0.01843%0.434CS..EExtended strand (participates in β ladder)trans-124.3148.5174.863.30000109.9E2 L12 Q74 L75 L78 V108E2-V10 HydrophobicContact CG-CG2 4.42Å; E2-V10 VanDerWaalsContact OE1-CG2 3.27Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.37Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.39Å; V10-L12 HydrophobicContact CG2-CD2 3.73Å; V10-L12 HydrophobicContact CG2-CG 4.21Å; V10-Q74 CarbonylContact O-C 3.59Å; V10-Q74 VanDerWaalsContact O-CA 3.3Å; V10-Q74 WeakPolarHBondContact O-CA 3.31Å; V10-L75 HydrophobicContact CG1-CB 3.88Å; V10-L75 HydrophobicContact CG1-CD1 4.04Å; V10-L75 HydrophobicContact CG1-CG 4.39Å; V10-L75 PolarHBondContact N-O 3.46Å; V10-L75 PolarHBondContact O-N 2.81Å; V10-L78 HydrophobicContact CB-CD1 4.12Å; V10-L78 HydrophobicContact CG1-CD1 3.78Å; V10-L78 HydrophobicContact CG1-CD2 4.49Å; V10-V108 HydrophobicContact CG1-CG1 4.49Å
11K97.9Very high93.9Very high119 Ų11966.3 Ų66.352%0.51741%0.413SS..EExtended strand (participates in β ladder)trans-123.1110.4170-173.9179.1-179.8-178.10109.5Y72 L73K11-Y72 HydrophobicContact CD-CD1 4.48Å; K11-Y72 VanDerWaalsContact CE-CD1 3.41Å; K11-L73 CarbonylContact C-O 3.6Å; K11-L73 WeakPolarHBondContact CA-O 3.31Å
12L98.1Very high94.4Very high11 Ų1165.1 Ų65.16%0.05839%0.387CS..EExtended strand (participates in β ladder)trans-91149.1174.7-55.1-179.9000109.8V10 W28 Y72 L73 Y86 T106 V108V10-L12 HydrophobicContact CG2-CD2 3.73Å; V10-L12 HydrophobicContact CG2-CG 4.21Å; L12-W28 HydrophobicContact CB-CH2 3.86Å; L12-W28 HydrophobicContact CB-CZ3 3.89Å; L12-W28 HydrophobicContact CD1-CZ3 4.29Å; L12-Y72 CarbonylContact O-C 3.56Å; L12-Y72 WeakPolarHBondContact O-CA 3.45Å; L12-L73 HydrophobicContact CB-CB 4.49Å; L12-L73 HydrophobicContact CD1-CD2 4.4Å; L12-L73 PolarHBondContact N-O 2.82Å; L12-L73 PolarHBondContact O-N 2.69Å; L12-Y86 VanDerWaalsContact CD1-CB 3.42Å; L12-Y86 HydrophobicContact CD1-CD1 4.23Å; L12-Y86 HydrophobicContact CD1-CD2 4.25Å; L12-Y86 HydrophobicContact CD1-CG 3.72Å; L12-T106 HydrophobicContact CD2-CG2 4.13Å; L12-V108 HydrophobicContact CD1-CG2 4.17Å; L12-V108 HydrophobicContact CD2-CG2 3.95Å
13S97.7Very high94.4Very high78 Ų7867.5 Ų67.555%0.54540%0.402SS..EExtended strand (participates in β ladder)trans-124.4150.6175.160.40000111.3A71S13-A71 CarbonylContact C-O 3.37Å; S13-A71 WeakPolarHBondContact CA-O 2.98Å
14C96.9Very high94.1Very high18 Ų1863.6 Ų63.612%0.12238%0.382CS..EExtended strand (participates in β ladder)trans-140.4109.5174.4179.40000109.4W28 T70 A71 C88C14-W28 HydrophobicContact CB-CH2 3.91Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; C14-T70 CarbonylContact O-C 3.6Å; C14-T70 WeakPolarHBondContact O-CA 3.4Å; C14-A71 PolarHBondContact N-O 3.24Å; C14-A71 PolarHBondContact O-N 3.38Å; C14-C88 HydrophobicContact CB-CB 3.39Å; C14-C88 WeakPolarHBondContact CB-SG 3.49Å; C14-C88 WeakPolarHBondContact SG-CB 3.29Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.83Å
15T96.4Very high93.9Very high92 Ų9265.1 Ų65.156%0.56439%0.386SS*.EExtended strand (participates in β ladder)trans-94121-179.8-55.80000109.6N69 T70T15-N69 WeakPolarHBondContact CA-O 3.39Å; T15-T70 PolarHBondContact OG1-OG1 2.88Å
16A92.6Very high93.8Very high10 Ų1056.3 Ų56.38%0.08335%0.353CS..  trans-72.2138.8173.600000110.3F19 I21 N69A16-F19 HydrophobicContact CB-CD1 4.43Å; A16-F19 HydrophobicContact CB-CD2 4.23Å; A16-F19 HydrophobicContact CB-CE1 3.8Å; A16-F19 HydrophobicContact CB-CE2 3.56Å; A16-F19 HydrophobicContact CB-CZ 3.31Å; A16-I21 HydrophobicContact CB-CB 4.18Å; A16-I21 HydrophobicContact CB-CD1 4.38Å; A16-I21 HydrophobicContact CB-CG1 4.13Å; A16-N69 VanDerWaalsContact CB-ND2 3.33Å; A16-N69 WeakPolarHBondContact CB-ND2 3.32Å; A16-N69 PolarHBondContact N-O 2.73Å; A16-N69 PolarHBondContact O-ND2 2.92Å
17S91.6Very high93.8Very high110 Ų11053.9 Ų53.977%0.76934%0.335SS*.  trans-134.9134.4178.5-169.60000109.5F19S17-F19 VanDerWaalsContact C-N 3.33Å; S17-F19 WeakPolarHBondContact O-CD1 3.39Å
18G88.9Confident93.8Very high86 Ų8651.5 Ų51.589%0.88731%0.31SS*.SBendtrans86-4.4-177.600000115.3
19F86.6Confident93.8Very high60 Ų6050.1 Ų50.126%0.26330%0.297SS..SBendtrans-149.1163.5174.865.2-81.6000110.9A16 S17 N69 T90A16-F19 HydrophobicContact CB-CD1 4.43Å; A16-F19 HydrophobicContact CB-CD2 4.23Å; A16-F19 HydrophobicContact CB-CE1 3.8Å; A16-F19 HydrophobicContact CB-CE2 3.56Å; A16-F19 HydrophobicContact CB-CZ 3.31Å; S17-F19 VanDerWaalsContact C-N 3.33Å; S17-F19 WeakPolarHBondContact O-CD1 3.39Å; F19-N69 PolarHBondContact O-ND2 3.37Å; F19-T90 HydrophobicContact CE2-CG2 3.96Å; F19-T90 HydrophobicContact CZ-CG2 3.64Å
20N91.3Very high93.8Very high67 Ų6747 Ų4736%0.35828%0.276SS..  trans-89.5124.7175172.614.8000109.3K22 D23N20-K22 PolarHBondContact O-N 3.27Å; N20-K22 VanDerWaalsContact O-N 3.11Å; N20-K22 PolarHBondContact OD1-N 3.36Å; N20-D23 WeakPolarHBondContact CB-OD2 3.21Å; N20-D23 PolarHBondContact O-N 2.87Å
21I92.3Very high93.7Very high0 Ų050.3 Ų50.30%029%0.291CS..G310 helixtrans-63.9-19.7-174.2-152.6178.1000112.8A16 D23 M26 P45 T66 N69 A71A16-I21 HydrophobicContact CB-CB 4.18Å; A16-I21 HydrophobicContact CB-CD1 4.38Å; A16-I21 HydrophobicContact CB-CG1 4.13Å; I21-D23 PolarHBondContact O-N 2.76Å; I21-M26 HydrophobicContact CD1-CE 4.33Å; I21-M26 HydrophobicContact CD1-CG 3.71Å; I21-M26 HydrophobicContact CD1-SD 3.9Å; I21-M26 HydrophobicContact CG1-CG 3.52Å; I21-M26 HydrophobicContact CG1-SD 3.55Å; I21-M26 VanDerWaalsContact CG1-SD 3.55Å; I21-P45 HydrophobicContact CG1-CG 4.1Å; I21-P45 HydrophobicContact CG2-CB 4.09Å; I21-P45 HydrophobicContact CG2-CG 4.5Å; I21-P45 WeakPolarHBondContact O-CG 3.45Å; I21-T66 HydrophobicContact CG2-CG2 4.17Å; I21-N69 WeakPolarHBondContact CB-OD1 3.35Å; I21-N69 WeakPolarHBondContact CG2-OD1 2.98Å; I21-N69 PolarHBondContact N-OD1 3.07Å; I21-A71 HydrophobicContact CD1-CB 3.96Å
22K92.2Very high93.5Very high87 Ų8746.2 Ų46.238%0.37827%0.272SS..G310 helixtrans-69.4-19.8175.5-68.3-171.7176.5-168.80113.8N20 D24 T66N20-K22 PolarHBondContact O-N 3.27Å; N20-K22 VanDerWaalsContact O-N 3.11Å; N20-K22 PolarHBondContact OD1-N 3.36Å; K22-D24 VanDerWaalsContact C-N 3.29Å; K22-T66 HydrophobicContact CD-CG2 4.13Å; K22-T66 VanDerWaalsContact CE-CG2 3.47Å; K22-T66 WeakPolarHBondContact CE-OG1 3.3Å; K22-T66 HydrophobicContact CG-CG2 3.52Å
23D89.1Confident92.7Very high121 Ų12150.6 Ų50.665%0.64730%0.301SS*.G310 helixtrans-90.12.9-173.5-54.9-28.7000112N20 I21N20-D23 WeakPolarHBondContact CB-OD2 3.21Å; N20-D23 PolarHBondContact O-N 2.87Å; I21-D23 PolarHBondContact O-N 2.76Å
24D88.6Confident92.1Very high45 Ų4556.8 Ų56.824%0.24132%0.322CS..SBendtrans-143.6155.1-173.3-85.5-56.9000112.6K22 P45K22-D24 VanDerWaalsContact C-N 3.29Å; D24-P45 WeakPolarHBondContact O-CD 3.49Å
25Y92.3Very high91.6Very high47 Ų4760.5 Ų60.518%0.18434%0.337CS..EExtended strand (participates in β ladder)trans-81.8133.1166.2-58.9-84.8000110.5H27 W42 D44 T90 G91Y25-H27 PolarHBondContact O-CD2 2.8Å; Y25-W42 HydrophobicContact CD1-CD2 4.09Å; Y25-W42 AromaticContact CD1-CE3 3.45Å; Y25-W42 HydrophobicContact CD1-CE3 3.45Å; Y25-W42 VanDerWaalsContact CD1-CE3 3.45Å; Y25-W42 HydrophobicContact CD1-CH2 4.19Å; Y25-W42 AromaticContact CD1-CZ3 3.54Å; Y25-W42 HydrophobicContact CD1-CZ3 3.54Å; Y25-W42 HydrophobicContact CE1-CE3 4.06Å; Y25-W42 AromaticContact CE1-CH2 3.95Å; Y25-W42 HydrophobicContact CE1-CH2 3.95Å; Y25-W42 AromaticContact CE1-CZ3 3.66Å; Y25-W42 HydrophobicContact CE1-CZ3 3.66Å; Y25-W42 HydrophobicContact CG-CE3 4.41Å; Y25-D44 HydrophobicContact CD1-CB 3.76Å; Y25-D44 HydrophobicContact CE1-CB 3.63Å; Y25-T90 WeakPolarHBondContact O-CA 3.35Å; Y25-G91 WeakPolarHBondContact CB-O 3.22Å; Y25-G91 WeakPolarHBondContact CD2-O 3.06Å
26M94.6Very high91.3Very high2 Ų258.7 Ų58.71%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-99.6107.7177.6-66.4-62.4-52.600109.9I21 W42 I43 P45 A71 C88 T90I21-M26 HydrophobicContact CD1-CE 4.33Å; I21-M26 HydrophobicContact CD1-CG 3.71Å; I21-M26 HydrophobicContact CD1-SD 3.9Å; I21-M26 HydrophobicContact CG1-CG 3.52Å; I21-M26 HydrophobicContact CG1-SD 3.55Å; I21-M26 VanDerWaalsContact CG1-SD 3.55Å; M26-W42 CarbonylContact O-C 3.53Å; M26-W42 VanDerWaalsContact O-CA 3.23Å; M26-W42 WeakPolarHBondContact O-CA 3.04Å; M26-I43 HydrophobicContact CB-CG2 3.79Å; M26-I43 PolarHBondContact N-O 3.36Å; M26-I43 PolarHBondContact O-N 2.86Å; M26-P45 HydrophobicContact CG-CG 3.88Å; M26-A71 HydrophobicContact CB-CB 3.92Å; M26-A71 HydrophobicContact CE-CB 4.08Å; M26-A71 HydrophobicContact CG-CB 4.02Å; M26-C88 HydrophobicContact CE-CB 4.48Å; M26-T90 HydrophobicContact CE-CG2 4.14Å; M26-T90 HydrophobicContact SD-CG2 3.54Å; M26-T90 VanDerWaalsContact SD-CG2 3.54Å
27H95.8Very high91.3Very high22 Ų2262.8 Ų62.810%0.10236%0.357CS..EExtended strand (participates in β ladder)trans-95.1149.7180-62.7-107.3000111.3Y25 W39 G41 W42 C88 T89 F99Y25-H27 PolarHBondContact O-CD2 2.8Å; H27-W39 AromaticContact CG-NE1 3.97Å; H27-W39 AromaticContact ND1-NE1 3.22Å; H27-W39 PolarHBondContact ND1-NE1 3.13Å; H27-G41 WeakPolarHBondContact CA-O 3.2Å; H27-W42 HydrophobicContact CB-CB 4.44Å; H27-W42 AromaticContact CE1-CD1 3.68Å; H27-W42 AromaticContact CE1-CG 3.83Å; H27-W42 WeakPolarHBondContact ND1-CB 3.46Å; H27-W42 AromaticContact ND1-CD1 4Å; H27-C88 CarbonylContact O-C 3.45Å; H27-C88 VanDerWaalsContact O-CA 3.28Å; H27-C88 WeakPolarHBondContact O-CA 3.31Å; H27-T89 HydrophobicContact CB-CG2 3.71Å; H27-T89 PolarHBondContact N-O 2.83Å; H27-T89 PolarHBondContact O-N 2.87Å; H27-F99 HydrophobicContact CB-CE1 3.92Å; H27-F99 AromaticContact CD2-CE1 3.86Å; H27-F99 AromaticContact CG-CE1 3.58Å; H27-F99 AromaticContact ND1-CE1 3.72Å
28W97.4Very high91.4Very high5 Ų559.4 Ų59.42%0.01933%0.329CS..EExtended strand (participates in β ladder)trans-119.1137.9170.5-71.190.1000110.8L12 C14 I40 G41 L73 Y87 C88L12-W28 HydrophobicContact CB-CH2 3.86Å; L12-W28 HydrophobicContact CB-CZ3 3.89Å; L12-W28 HydrophobicContact CD1-CZ3 4.29Å; C14-W28 HydrophobicContact CB-CH2 3.91Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; W28-I40 HydrophobicContact CB-CB 4.13Å; W28-I40 HydrophobicContact CB-CD1 4.26Å; W28-I40 WeakPolarHBondContact O-CB 3.09Å; W28-I40 PolarHBondContact O-N 2.77Å; W28-G41 PolarHBondContact N-O 2.79Å; W28-L73 HydrophobicContact CB-CD2 4.11Å; W28-L73 HydrophobicContact CD2-CB 3.44Å; W28-L73 VanDerWaalsContact CD2-CB 3.44Å; W28-L73 HydrophobicContact CD2-CD2 3.86Å; W28-L73 HydrophobicContact CD2-CG 4.21Å; W28-L73 VanDerWaalsContact CE2-CB 3.45Å; W28-L73 HydrophobicContact CE3-CB 3.7Å; W28-L73 HydrophobicContact CE3-CD2 3.64Å; W28-L73 HydrophobicContact CE3-CG 4.32Å; W28-L73 HydrophobicContact CG-CB 3.94Å; W28-L73 HydrophobicContact CG-CD2 4.07Å; W28-L73 HydrophobicContact CG-CG 4.41Å; W28-L73 HydrophobicContact CH2-CB 3.97Å; W28-L73 HydrophobicContact CZ2-CB 3.74Å; W28-L73 HydrophobicContact CZ3-CB 3.95Å; W28-L73 HydrophobicContact CZ3-CD2 4.32Å; W28-Y87 WeakPolarHBondContact CA-O 3.21Å; W28-C88 HydrophobicContact CD2-CB 4.41Å; W28-C88 HydrophobicContact CE3-CB 4.29Å; W28-C88 HydrophobicContact CH2-CB 4.31Å; W28-C88 HydrophobicContact CZ2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.24Å
29V96.2Very high91.7Very high4 Ų458.9 Ų58.92%0.02430%0.3CS..EExtended strand (participates in β ladder)trans-137.8139.4-175.9-177.80000108.3L37 E38 Y86 Y87 T89 W102V29-L37 HydrophobicContact CG1-CB 3.72Å; V29-L37 HydrophobicContact CG1-CD2 3.74Å; V29-L37 HydrophobicContact CG1-CG 4.24Å; V29-E38 CarbonylContact C-O 3.41Å; V29-E38 WeakPolarHBondContact CA-O 3.45Å; V29-E38 WeakPolarHBondContact CG1-O 3.48Å; V29-Y86 WeakPolarHBondContact O-CA 3.37Å; V29-Y87 PolarHBondContact N-O 3.45Å; V29-Y87 PolarHBondContact O-N 2.82Å; V29-T89 HydrophobicContact CG2-CG2 4.2Å; V29-W102 HydrophobicContact CB-CH2 4.18Å; V29-W102 HydrophobicContact CB-CZ3 4.07Å; V29-W102 HydrophobicContact CG1-CH2 4.15Å; V29-W102 HydrophobicContact CG1-CZ3 4.25Å; V29-W102 HydrophobicContact CG2-CH2 3.93Å; V29-W102 HydrophobicContact CG2-CZ3 4.2Å
30K95.5Very high92.2Very high1 Ų156 Ų560%0.00429%0.288CS..EExtended strand (participates in β ladder)trans-110.4148.3168.290.4-179.6-171.8-179.30111.3E38 I40 F56 A84 V85 Y86K30-E38 WeakPolarHBondContact CE-OE1 3.24Å; K30-E38 HydrophobicContact CG-CB 4.09Å; K30-E38 PolarHBondContact N-O 3.02Å; K30-E38 IonicContact NZ-OE1 3.37Å; K30-E38 PolarHBondContact O-N 2.86Å; K30-I40 HydrophobicContact CB-CD1 4.19Å; K30-F56 HydrophobicContact CD-CE1 4.04Å; K30-F56 HydrophobicContact CD-CZ 3.88Å; K30-F56 HydrophobicContact CG-CZ 4.38Å; K30-A84 HydrophobicContact CB-CB 4.09Å; K30-A84 HydrophobicContact CD-CB 4.18Å; K30-A84 HydrophobicContact CG-CB 4.24Å; K30-V85 CarbonylContact C-O 3.59Å; K30-V85 WeakPolarHBondContact CA-O 3.32Å; K30-Y86 HydrophobicContact CB-CD1 3.79Å; K30-Y86 HydrophobicContact CB-CE1 3.63Å; K30-Y86 HydrophobicContact CB-CG 4.38Å; K30-Y86 HydrophobicContact CD-CE1 4.23Å
31Q95.8Very high92.5Very high71 Ų7152.9 Ų52.933%0.33227%0.271SS..EExtended strand (participates in β ladder)trans-127.1119.4172.4-166.2-179.125.300109.4L37 A84 V85 Y87Q31-L37 HydrophobicContact CB-CD2 3.97Å; Q31-L37 HydrophobicContact CG-CD2 4.16Å; Q31-A84 CarbonylContact O-C 3.6Å; Q31-A84 WeakPolarHBondContact O-CA 3.42Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.38Å; Q31-V85 PolarHBondContact N-O 2.75Å; Q31-V85 PolarHBondContact O-N 2.97Å; Q31-Y87 HydrophobicContact CB-CD2 4.42Å; Q31-Y87 HydrophobicContact CB-CE2 3.8Å; Q31-Y87 PolarHBondContact OE1-OH 2.89Å
32R92.8Very high92.6Very high33 Ų3354.2 Ų54.213%0.12528%0.276CS..  trans-88152.7170.3-71162.2166.2179.30.3109.7E34 Q35 E38 E81 A84R32-E34 PolarHBondContact O-N 3.01Å; R32-Q35 HydrophobicContact CB-CB 4.03Å; R32-Q35 HydrophobicContact CB-CG 4.16Å; R32-Q35 VanDerWaalsContact NH1-OE1 3.1Å; R32-Q35 PolarHBondContact O-N 3.08Å; R32-Q35 VanDerWaalsContact O-N 3.1Å; R32-E38 IonicContact CZ-OE1 3.88Å; R32-E38 IonicContact NE-OE1 3.92Å; R32-E38 IonicContact NH1-OE1 3.86Å; R32-E81 PolarHBondContact NE-O 3.11Å; R32-E81 PolarHBondContact NH2-O 3.11Å; R32-E81 IonicContact NH2-OE2 3.75Å; R32-E81 PolarHBondContact NH2-OE2 2.94Å; R32-A84 HydrophobicContact CG-CB 4.01Å
33P83.2Confident92.8Very high103 Ų10350.5 Ų50.567%0.66926%0.26SS*.THydrogen-bonded Turntrans-50.6129.9167.1-2333.4000109.5Q35P33-Q35 PolarHBondContact O-N 3.05Å; P33-Q35 VanDerWaalsContact O-N 3.15Å
34E84.6Confident93.1Very high208 Ų20845.3 Ų45.397%0.97223%0.232SC*.THydrogen-bonded Turntrans67.83.3178.7-48.6179.2174.700116.6R32R32-E34 PolarHBondContact O-N 3.01Å
35Q86.4Confident93.5Very high96 Ų9643.7 Ų43.745%0.44922%0.224SC..SBendtrans-112.7156.9173.3-56.1-175.9-0.900110.9R32 P33R32-Q35 HydrophobicContact CB-CB 4.03Å; R32-Q35 HydrophobicContact CB-CG 4.16Å; R32-Q35 VanDerWaalsContact NH1-OE1 3.1Å; R32-Q35 PolarHBondContact O-N 3.08Å; R32-Q35 VanDerWaalsContact O-N 3.1Å; P33-Q35 PolarHBondContact O-N 3.05Å; P33-Q35 VanDerWaalsContact O-N 3.15Å
36G89Confident93.6Very high54 Ų5448.2 Ų48.256%0.55725%0.247SC*.  trans-66.3178.2173.400000112.8E38G36-E38 PolarHBondContact O-N 3.44Å
37L92.8Very high93.6Very high96 Ų9652.3 Ų52.350%0.50327%0.269SS..EExtended strand (participates in β ladder)trans-68.3126171.7-66.6170000109.9V29 Q31 W102V29-L37 HydrophobicContact CG1-CB 3.72Å; V29-L37 HydrophobicContact CG1-CD2 3.74Å; V29-L37 HydrophobicContact CG1-CG 4.24Å; Q31-L37 HydrophobicContact CB-CD2 3.97Å; Q31-L37 HydrophobicContact CG-CD2 4.16Å; L37-W102 HydrophobicContact CD1-CH2 3.78Å; L37-W102 HydrophobicContact CD1-CZ2 4.33Å; L37-W102 HydrophobicContact CD1-CZ3 4.41Å; L37-W102 HydrophobicContact CD2-CH2 4.36Å; L37-W102 HydrophobicContact CD2-CZ3 4.28Å
38E94.6Very high93.6Very high39 Ų3953.2 Ų53.218%0.18229%0.285CS..EExtended strand (participates in β ladder)trans-106.8116172.2-62.6-177.4-109.100109V29 K30 R32 G36 K55V29-E38 CarbonylContact C-O 3.41Å; V29-E38 WeakPolarHBondContact CA-O 3.45Å; V29-E38 WeakPolarHBondContact CG1-O 3.48Å; K30-E38 WeakPolarHBondContact CE-OE1 3.24Å; K30-E38 HydrophobicContact CG-CB 4.09Å; K30-E38 PolarHBondContact N-O 3.02Å; K30-E38 IonicContact NZ-OE1 3.37Å; K30-E38 PolarHBondContact O-N 2.86Å; R32-E38 IonicContact CZ-OE1 3.88Å; R32-E38 IonicContact NE-OE1 3.92Å; R32-E38 IonicContact NH1-OE1 3.86Å; G36-E38 PolarHBondContact O-N 3.44Å; E38-K55 IonicContact OE1-NZ 2.69Å; E38-K55 IonicContact OE2-NZ 3.96Å; E38-K55 PolarHBondContact OE2-NZ 2.57Å
39W95.1Very high93.5Very high76 Ų7657.8 Ų57.829%0.28831%0.309SS..EExtended strand (participates in β ladder)trans-70.8132175.5-179.369.5000110.8H27 G41 W42 E51 A53H27-W39 AromaticContact CG-NE1 3.97Å; H27-W39 AromaticContact ND1-NE1 3.22Å; H27-W39 PolarHBondContact ND1-NE1 3.13Å; W39-G41 VanDerWaalsContact CE2-C 3.5Å; W39-G41 PolarHBondContact NE1-O 2.9Å; W39-G41 VanDerWaalsContact NE1-O 3.1Å; W39-W42 AromaticContact CH2-CD1 3.9Å; W39-W42 HydrophobicContact CZ2-CB 4.12Å; W39-W42 AromaticContact CZ2-CD1 3.3Å; W39-W42 AromaticContact CZ2-CG 3.98Å; W39-W42 HydrophobicContact CZ2-CG 3.98Å; W39-E51 HydrophobicContact CH2-CB 4.14Å; W39-E51 HydrophobicContact CH2-CG 4.01Å; W39-A53 HydrophobicContact CE3-CB 3.8Å; W39-A53 HydrophobicContact CZ3-CB 3.98Å; W39-A53 VanDerWaalsContact O-CB 3.3Å; W39-A53 WeakPolarHBondContact O-CB 3.24Å
40I97Very high93.6Very high0 Ų060.4 Ų60.40%033%0.325CS..EExtended strand (participates in β ladder)trans-94.7-49.6-177.9-60.4177.9000110.6W28 K30 Y52 A53 F56 A60 L73 Y86W28-I40 HydrophobicContact CB-CB 4.13Å; W28-I40 HydrophobicContact CB-CD1 4.26Å; W28-I40 WeakPolarHBondContact O-CB 3.09Å; W28-I40 PolarHBondContact O-N 2.77Å; K30-I40 HydrophobicContact CB-CD1 4.19Å; I40-Y52 WeakPolarHBondContact O-CA 3.46Å; I40-A53 PolarHBondContact O-N 2.87Å; I40-F56 HydrophobicContact CB-CD2 4.24Å; I40-F56 HydrophobicContact CB-CE2 4.47Å; I40-F56 HydrophobicContact CB-CG 4.28Å; I40-F56 HydrophobicContact CD1-CE1 4.5Å; I40-F56 HydrophobicContact CG1-CD1 4.24Å; I40-F56 HydrophobicContact CG1-CD2 4.26Å; I40-F56 HydrophobicContact CG1-CE1 4.04Å; I40-F56 HydrophobicContact CG1-CE2 4.04Å; I40-F56 HydrophobicContact CG1-CG 4.34Å; I40-F56 HydrophobicContact CG1-CZ 3.92Å; I40-F56 HydrophobicContact CG2-CB 3.88Å; I40-F56 HydrophobicContact CG2-CD1 4.05Å; I40-F56 HydrophobicContact CG2-CD2 4.24Å; I40-F56 HydrophobicContact CG2-CG 3.8Å; I40-A60 HydrophobicContact CG2-CB 3.77Å; I40-L73 HydrophobicContact CD1-CD2 3.74Å; I40-L73 HydrophobicContact CG2-CD1 4.21Å; I40-Y86 HydrophobicContact CD1-CD1 3.73Å; I40-Y86 HydrophobicContact CD1-CE1 3.76Å
41G96.4Very high93.6Very high0 Ų064.7 Ų64.70%035%0.345CS..EExtended strand (participates in β ladder)trans170.9174.4-169.500000112.1H27 W28 W39 E51 I62H27-G41 WeakPolarHBondContact CA-O 3.2Å; W28-G41 PolarHBondContact N-O 2.79Å; W39-G41 VanDerWaalsContact CE2-C 3.5Å; W39-G41 PolarHBondContact NE1-O 2.9Å; W39-G41 VanDerWaalsContact NE1-O 3.1Å; G41-E51 CarbonylContact C-O 3.53Å; G41-E51 WeakPolarHBondContact CA-O 3.46Å; G41-I62 VanDerWaalsContact C-CD1 3.47Å
42W95.9Very high93.7Very high29 Ų2963.8 Ų63.811%0.1134%0.339CS..EExtended strand (participates in β ladder)trans-137.4157.9172.665.1-110.9000111Y25 M26 H27 W39 D44 D49 T50 E51Y25-W42 HydrophobicContact CD1-CD2 4.09Å; Y25-W42 AromaticContact CD1-CE3 3.45Å; Y25-W42 HydrophobicContact CD1-CE3 3.45Å; Y25-W42 VanDerWaalsContact CD1-CE3 3.45Å; Y25-W42 HydrophobicContact CD1-CH2 4.19Å; Y25-W42 AromaticContact CD1-CZ3 3.54Å; Y25-W42 HydrophobicContact CD1-CZ3 3.54Å; Y25-W42 HydrophobicContact CE1-CE3 4.06Å; Y25-W42 AromaticContact CE1-CH2 3.95Å; Y25-W42 HydrophobicContact CE1-CH2 3.95Å; Y25-W42 AromaticContact CE1-CZ3 3.66Å; Y25-W42 HydrophobicContact CE1-CZ3 3.66Å; Y25-W42 HydrophobicContact CG-CE3 4.41Å; M26-W42 CarbonylContact O-C 3.53Å; M26-W42 VanDerWaalsContact O-CA 3.23Å; M26-W42 WeakPolarHBondContact O-CA 3.04Å; H27-W42 HydrophobicContact CB-CB 4.44Å; H27-W42 AromaticContact CE1-CD1 3.68Å; H27-W42 AromaticContact CE1-CG 3.83Å; H27-W42 WeakPolarHBondContact ND1-CB 3.46Å; H27-W42 AromaticContact ND1-CD1 4Å; W39-W42 AromaticContact CH2-CD1 3.9Å; W39-W42 HydrophobicContact CZ2-CB 4.12Å; W39-W42 AromaticContact CZ2-CD1 3.3Å; W39-W42 AromaticContact CZ2-CG 3.98Å; W39-W42 HydrophobicContact CZ2-CG 3.98Å; W42-D44 HydrophobicContact CE3-CB 4.4Å; W42-D44 HydrophobicContact CZ3-CB 3.73Å; W42-D49 HydrophobicContact CH2-CB 4.33Å; W42-D49 HydrophobicContact CZ3-CB 4.27Å; W42-D49 WeakPolarHBondContact CZ3-O 2.95Å; W42-T50 VanDerWaalsContact O-CA 3.3Å; W42-T50 WeakPolarHBondContact O-CA 3.38Å; W42-E51 HydrophobicContact CD2-CB 4.11Å; W42-E51 VanDerWaalsContact CE2-CB 3.48Å; W42-E51 HydrophobicContact CG-CB 4.32Å; W42-E51 HydrophobicContact CZ2-CB 3.83Å; W42-E51 PolarHBondContact N-O 2.9Å; W42-E51 VanDerWaalsContact NE1-CB 3.31Å; W42-E51 PolarHBondContact NE1-OE2 3.15Å; W42-E51 PolarHBondContact O-N 2.64Å; W42-E51 VanDerWaalsContact O-N 3.11Å
43I96.6Very high93.8Very high8 Ų863.4 Ų63.44%0.04134%0.343CS..EExtended strand (participates in β ladder)trans-125.9138.5166.3-176165000110M26 P45 D49 T50 I62 A64M26-I43 HydrophobicContact CB-CG2 3.79Å; M26-I43 PolarHBondContact N-O 3.36Å; M26-I43 PolarHBondContact O-N 2.86Å; I43-P45 HydrophobicContact CG2-CG 4.45Å; I43-P45 VanDerWaalsContact O-CD 3.31Å; I43-P45 WeakPolarHBondContact O-CD 3.28Å; I43-D49 CarbonylContact C-O 3.56Å; I43-D49 VanDerWaalsContact CA-O 3.31Å; I43-D49 WeakPolarHBondContact CA-O 3.4Å; I43-T50 HydrophobicContact CB-CG2 3.86Å; I43-T50 HydrophobicContact CD1-CG2 3.96Å; I43-T50 HydrophobicContact CG1-CG2 3.76Å; I43-I62 HydrophobicContact CB-CG2 3.61Å; I43-I62 HydrophobicContact CG2-CG2 3.44Å; I43-I62 VanDerWaalsContact CG2-CG2 3.44Å; I43-A64 HydrophobicContact CD1-CB 3.94Å; I43-A64 HydrophobicContact CG2-CB 4.34Å
44D95.6Very high94.4Very high12 Ų1263.6 Ų63.66%0.06435%0.347CS..  trans-88.9106.6163.2-176.8-21.9000107.7Y25 W42 E46 N47 G48 D49Y25-D44 HydrophobicContact CD1-CB 3.76Å; Y25-D44 HydrophobicContact CE1-CB 3.63Å; W42-D44 HydrophobicContact CE3-CB 4.4Å; W42-D44 HydrophobicContact CZ3-CB 3.73Å; D44-E46 PolarHBondContact O-N 2.77Å; D44-E46 WeakPolarHBondContact OD1-CB 3.48Å; D44-E46 PolarHBondContact OD1-N 2.98Å; D44-N47 WeakPolarHBondContact CB-OD1 3.46Å; D44-N47 PolarHBondContact OD2-ND2 3.5Å; D44-N47 PolarHBondContact OD2-OD1 3.35Å; D44-G48 WeakPolarHBondContact O-CA 3.43Å; D44-G48 PolarHBondContact O-N 3.28Å; D44-D49 HydrophobicContact CB-CB 4.38Å; D44-D49 PolarHBondContact N-O 2.92Å
45P95.7Very high94.8Very high11 Ų1159.1 Ų59.17%0.07132%0.324CS..THydrogen-bonded Turntrans-71.5-13.3-177.2-21.639.1000113.4I21 D24 M26 I43 A64 T66I21-P45 HydrophobicContact CG1-CG 4.1Å; I21-P45 HydrophobicContact CG2-CB 4.09Å; I21-P45 HydrophobicContact CG2-CG 4.5Å; I21-P45 WeakPolarHBondContact O-CG 3.45Å; D24-P45 WeakPolarHBondContact O-CD 3.49Å; M26-P45 HydrophobicContact CG-CG 3.88Å; I43-P45 HydrophobicContact CG2-CG 4.45Å; I43-P45 VanDerWaalsContact O-CD 3.31Å; I43-P45 WeakPolarHBondContact O-CD 3.28Å; P45-A64 HydrophobicContact CB-CB 3.82Å; P45-A64 HydrophobicContact CG-CB 4.05Å; P45-T66 HydrophobicContact CB-CG2 3.95Å; P45-T66 VanDerWaalsContact O-CG2 3.29Å; P45-T66 WeakPolarHBondContact O-CG2 3.43Å
46E94.7Very high95.3Very high143 Ų14354.8 Ų54.867%0.66830%0.304SS*.THydrogen-bonded Turntrans-68.7-47.5177.3-171-179.8-162.500111.3D44D44-E46 PolarHBondContact O-N 2.77Å; D44-E46 WeakPolarHBondContact OD1-CB 3.48Å; D44-E46 PolarHBondContact OD1-N 2.98Å
47N95.1Very high95.5Very high87 Ų8759 Ų5947%0.46531%0.309SS..THydrogen-bonded Turntrans-117.4-11.7-173.657.139.2000114.1D44 D49D44-N47 WeakPolarHBondContact CB-OD1 3.46Å; D44-N47 PolarHBondContact OD2-ND2 3.5Å; D44-N47 PolarHBondContact OD2-OD1 3.35Å; N47-D49 VanDerWaalsContact OD1-CB 3.24Å; N47-D49 WeakPolarHBondContact OD1-CB 3.41Å; N47-D49 PolarHBondContact OD1-N 3.03Å
48G95.4Very high95.6Very high42 Ų4258 Ų5843%0.43332%0.322SS..  trans84.48.1179.600000114.8D44D44-G48 WeakPolarHBondContact O-CA 3.43Å; D44-G48 PolarHBondContact O-N 3.28Å
49D95.9Very high95.6Very high100 Ų10058.3 Ų58.354%0.53532%0.323SS..  trans-64.8143.3177.1-77.7-14000110.8W42 I43 D44 N47W42-D49 HydrophobicContact CH2-CB 4.33Å; W42-D49 HydrophobicContact CZ3-CB 4.27Å; W42-D49 WeakPolarHBondContact CZ3-O 2.95Å; I43-D49 CarbonylContact C-O 3.56Å; I43-D49 VanDerWaalsContact CA-O 3.31Å; I43-D49 WeakPolarHBondContact CA-O 3.4Å; D44-D49 HydrophobicContact CB-CB 4.38Å; D44-D49 PolarHBondContact N-O 2.92Å; N47-D49 VanDerWaalsContact OD1-CB 3.24Å; N47-D49 WeakPolarHBondContact OD1-CB 3.41Å; N47-D49 PolarHBondContact OD1-N 3.03Å
50T96.9Very high95.8Very high59 Ų5955 Ų5536%0.36231%0.312SS..EExtended strand (participates in β ladder)trans-136.4143.8-177.452.80000111.6W42 I43 Y52W42-T50 VanDerWaalsContact O-CA 3.3Å; W42-T50 WeakPolarHBondContact O-CA 3.38Å; I43-T50 HydrophobicContact CB-CG2 3.86Å; I43-T50 HydrophobicContact CD1-CG2 3.96Å; I43-T50 HydrophobicContact CG1-CG2 3.76Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.4Å
51E95.9Very high95.8Very high91 Ų9158.3 Ų58.343%0.42533%0.332SS..EExtended strand (participates in β ladder)trans-126.6145.3169.5-164.4-179.4170.800109.4W39 G41 W42W39-E51 HydrophobicContact CH2-CB 4.14Å; W39-E51 HydrophobicContact CH2-CG 4.01Å; G41-E51 CarbonylContact C-O 3.53Å; G41-E51 WeakPolarHBondContact CA-O 3.46Å; W42-E51 HydrophobicContact CD2-CB 4.11Å; W42-E51 VanDerWaalsContact CE2-CB 3.48Å; W42-E51 HydrophobicContact CG-CB 4.32Å; W42-E51 HydrophobicContact CZ2-CB 3.83Å; W42-E51 PolarHBondContact N-O 2.9Å; W42-E51 VanDerWaalsContact NE1-CB 3.31Å; W42-E51 PolarHBondContact NE1-OE2 3.15Å; W42-E51 PolarHBondContact O-N 2.64Å; W42-E51 VanDerWaalsContact O-N 3.11Å
52Y97.2Very high95.9Very high53 Ų5358.6 Ų58.621%0.20833%0.333CS..EExtended strand (participates in β ladder)trans-130.3141.4-180-59.3-93000109.7I40 T50 A60 I62I40-Y52 WeakPolarHBondContact O-CA 3.46Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.4Å; Y52-A60 HydrophobicContact CD1-CB 4.18Å; Y52-A60 HydrophobicContact CE1-CB 4.19Å; Y52-A60 WeakPolarHBondContact CE1-O 3.48Å; Y52-I62 HydrophobicContact CD1-CD1 4.2Å; Y52-I62 HydrophobicContact CE1-CB 4.31Å; Y52-I62 HydrophobicContact CE1-CD1 3.83Å; Y52-I62 HydrophobicContact CE1-CG1 3.83Å; Y52-I62 PolarHBondContact OH-N 2.81Å
53A96.1Very high96Very high24 Ų2460.1 Ų60.120%0.19835%0.346CS..  trans-64.6141.3162.700000109.7W39 I40 K55 F56 Q57W39-A53 HydrophobicContact CE3-CB 3.8Å; W39-A53 HydrophobicContact CZ3-CB 3.98Å; W39-A53 VanDerWaalsContact O-CB 3.3Å; W39-A53 WeakPolarHBondContact O-CB 3.24Å; I40-A53 PolarHBondContact O-N 2.87Å; A53-K55 PolarHBondContact O-N 2.87Å; A53-F56 HydrophobicContact CB-CD2 4.09Å; A53-F56 PolarHBondContact O-N 3.39Å; A53-Q57 PolarHBondContact O-N 3.09Å
54S95.8Very high96.1Very high108 Ų10861.3 Ų61.376%0.75536%0.357SS*.G310 helixtrans-54.2-31.2-172.7-48.60000113.9F56 Q57S54-F56 VanDerWaalsContact C-N 3.27Å; S54-F56 PolarHBondContact O-N 2.85Å; S54-Q57 PolarHBondContact O-N 3.41Å
55K93.3Very high96.2Very high114 Ų11463.4 Ų63.450%0.49637%0.369SS..G310 helixtrans-65.5-26.2177.6-175.6176.7178.2-178.10113.8E38 A53E38-K55 IonicContact OE1-NZ 2.69Å; E38-K55 IonicContact OE2-NZ 3.96Å; E38-K55 PolarHBondContact OE2-NZ 2.57Å; A53-K55 PolarHBondContact O-N 2.87Å
56F95.4Very high96.2Very high4 Ų465.3 Ų65.32%0.01838%0.38CS..G310 helixtrans-106.2-3.4-175.4-61.9-82000112.9K30 I40 A53 S54 G58 K59 A60K30-F56 HydrophobicContact CD-CE1 4.04Å; K30-F56 HydrophobicContact CD-CZ 3.88Å; K30-F56 HydrophobicContact CG-CZ 4.38Å; I40-F56 HydrophobicContact CB-CD2 4.24Å; I40-F56 HydrophobicContact CB-CE2 4.47Å; I40-F56 HydrophobicContact CB-CG 4.28Å; I40-F56 HydrophobicContact CD1-CE1 4.5Å; I40-F56 HydrophobicContact CG1-CD1 4.24Å; I40-F56 HydrophobicContact CG1-CD2 4.26Å; I40-F56 HydrophobicContact CG1-CE1 4.04Å; I40-F56 HydrophobicContact CG1-CE2 4.04Å; I40-F56 HydrophobicContact CG1-CG 4.34Å; I40-F56 HydrophobicContact CG1-CZ 3.92Å; I40-F56 HydrophobicContact CG2-CB 3.88Å; I40-F56 HydrophobicContact CG2-CD1 4.05Å; I40-F56 HydrophobicContact CG2-CD2 4.24Å; I40-F56 HydrophobicContact CG2-CG 3.8Å; A53-F56 HydrophobicContact CB-CD2 4.09Å; A53-F56 PolarHBondContact O-N 3.39Å; S54-F56 VanDerWaalsContact C-N 3.27Å; S54-F56 PolarHBondContact O-N 2.85Å; F56-G58 PolarHBondContact O-N 2.93Å; F56-K59 PolarHBondContact O-N 2.81Å; F56-A60 HydrophobicContact CB-CB 4.07Å; F56-A60 PolarHBondContact O-N 2.91Å
57Q95Very high96.3Very high143 Ų14363.6 Ų63.667%0.66838%0.384SS*.THydrogen-bonded Turntrans-61.1126.8176.9-160.8163.719.200110.3A53 S54 K59A53-Q57 PolarHBondContact O-N 3.09Å; S54-Q57 PolarHBondContact O-N 3.41Å; Q57-K59 PolarHBondContact O-N 2.92Å
58G93.6Very high96.4Very high76 Ų7661.7 Ų61.778%0.78438%0.377SS*.THydrogen-bonded Turntrans80-12.6-175.500000115.4F56F56-G58 PolarHBondContact O-N 2.93Å
59K95.9Very high96.4Very high45 Ų4561.2 Ų61.220%0.19637%0.365CS..THydrogen-bonded Turntrans-101-38.3176-170.7171-167.7171.20112.9F56 Q57 L75 S76 D82F56-K59 PolarHBondContact O-N 2.81Å; Q57-K59 PolarHBondContact O-N 2.92Å; K59-L75 WeakPolarHBondContact O-CA 3.13Å; K59-S76 WeakPolarHBondContact CE-O 3.47Å; K59-S76 WeakPolarHBondContact CG-O 3.44Å; K59-S76 PolarHBondContact O-N 2.91Å; K59-S76 PolarHBondContact O-OG 2.8Å; K59-D82 WeakPolarHBondContact CE-OD1 3.13Å; K59-D82 WeakPolarHBondContact CE-OD2 3.43Å; K59-D82 IonicContact NZ-OD1 2.79Å; K59-D82 PolarHBondContact NZ-OD1 2.86Å; K59-D82 IonicContact NZ-OD2 2.57Å; K59-D82 PolarHBondContact NZ-OD2 3.06Å
60A97.9Very high96.5Very high6 Ų656.8 Ų56.85%0.0534%0.341CS..EExtended strand (participates in β ladder)trans-100.3140.1177.900000110.7I40 Y52 F56 L73 Q74 L75I40-A60 HydrophobicContact CG2-CB 3.77Å; Y52-A60 HydrophobicContact CD1-CB 4.18Å; Y52-A60 HydrophobicContact CE1-CB 4.19Å; Y52-A60 WeakPolarHBondContact CE1-O 3.48Å; F56-A60 HydrophobicContact CB-CB 4.07Å; F56-A60 PolarHBondContact O-N 2.91Å; A60-L73 HydrophobicContact CB-CD1 3.84Å; A60-Q74 CarbonylContact C-O 3.49Å; A60-Q74 WeakPolarHBondContact CA-O 3.37Å; A60-L75 HydrophobicContact CB-CD2 3.97Å
61T98.4Very high96.5Very high70 Ų7054 Ų5443%0.42932%0.324SS..EExtended strand (participates in β ladder)trans-125.5118.4166.3-56.70000107.8T63 Q74T61-T63 HydrophobicContact CG2-CG2 4.25Å; T61-Q74 PolarHBondContact N-O 2.81Å; T61-Q74 PolarHBondContact O-N 2.02Å
62I98.4Very high96.6Very high5 Ų552 Ų523%0.02631%0.313CS..EExtended strand (participates in β ladder)trans-102.7132.6177.4-58166.3000108.4G41 I43 Y52 Y72 L73G41-I62 VanDerWaalsContact C-CD1 3.47Å; I43-I62 HydrophobicContact CB-CG2 3.61Å; I43-I62 HydrophobicContact CG2-CG2 3.44Å; I43-I62 VanDerWaalsContact CG2-CG2 3.44Å; Y52-I62 HydrophobicContact CD1-CD1 4.2Å; Y52-I62 HydrophobicContact CE1-CB 4.31Å; Y52-I62 HydrophobicContact CE1-CD1 3.83Å; Y52-I62 HydrophobicContact CE1-CG1 3.83Å; Y52-I62 PolarHBondContact OH-N 2.81Å; I62-Y72 WeakPolarHBondContact CA-O 3.27Å; I62-L73 HydrophobicContact CG1-CD1 3.87Å
63T98.3Very high96.7Very high61 Ų6149.4 Ų49.437%0.37430%0.303SS..EExtended strand (participates in β ladder)trans-139.3163.2177.252.90000110.1T61 A71 Y72T61-T63 HydrophobicContact CG2-CG2 4.25Å; T63-A71 CarbonylContact O-C 3.57Å; T63-A71 WeakPolarHBondContact O-CA 3.39Å; T63-Y72 PolarHBondContact N-O 3.43Å; T63-Y72 PolarHBondContact O-N 2.98Å
64A97.8Very high96.8Very high34 Ų3452.4 Ų52.428%0.28131%0.313SS..EExtended strand (participates in β ladder)trans-138.9145.2175.600000110.6I43 P45 T70I43-A64 HydrophobicContact CD1-CB 3.94Å; I43-A64 HydrophobicContact CG2-CB 4.34Å; P45-A64 HydrophobicContact CB-CB 3.82Å; P45-A64 HydrophobicContact CG-CB 4.05Å; A64-T70 WeakPolarHBondContact CA-O 3.42Å
65D97.4Very high96.9Very high56 Ų5647.3 Ų47.330%0.29928%0.277SS..EExtended strand (participates in β ladder)trans-116.6108.8169174.79.1000108.5S67 S68 N69 T70 Y72D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 3.48Å; D65-S67 WeakPolarHBondContact OD1-CB 3.46Å; D65-S67 PolarHBondContact OD1-N 2.89Å; D65-S67 PolarHBondContact OD1-OG 3.1Å; D65-S67 PolarHBondContact OD2-OG 2.9Å; D65-S68 WeakPolarHBondContact CB-OG 2.98Å; D65-S68 PolarHBondContact O-N 3.22Å; D65-S68 PolarHBondContact OD1-N 3.1Å; D65-S68 WeakPolarHBondContact OD2-CB 3.5Å; D65-S68 PolarHBondContact OD2-OG 3.47Å; D65-N69 PolarHBondContact O-N 2.8Å; D65-T70 PolarHBondContact N-O 3.02Å; D65-T70 PolarHBondContact O-N 3.23Å; D65-Y72 HydrophobicContact CB-CE2 3.94Å
66T96.3Very high97.1Very high50 Ų5043.6 Ų43.631%0.30727%0.265SS..THydrogen-bonded Turntrans-78.7-16.5-17660.90000112.8I21 K22 P45I21-T66 HydrophobicContact CG2-CG2 4.17Å; K22-T66 HydrophobicContact CD-CG2 4.13Å; K22-T66 VanDerWaalsContact CE-CG2 3.47Å; K22-T66 WeakPolarHBondContact CE-OG1 3.3Å; K22-T66 HydrophobicContact CG-CG2 3.52Å; P45-T66 HydrophobicContact CB-CG2 3.95Å; P45-T66 VanDerWaalsContact O-CG2 3.29Å; P45-T66 WeakPolarHBondContact O-CG2 3.43Å
67S96Very high97.1Very high108 Ų10847.2 Ų47.276%0.75529%0.291SS*.THydrogen-bonded Turntrans-74.8-35.617473.40000111.8D65D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 3.48Å; D65-S67 WeakPolarHBondContact OD1-CB 3.46Å; D65-S67 PolarHBondContact OD1-N 2.89Å; D65-S67 PolarHBondContact OD1-OG 3.1Å; D65-S67 PolarHBondContact OD2-OG 2.9Å
68S97Very high97.2Very high46 Ų4640.5 Ų40.532%0.32226%0.26SS..THydrogen-bonded Turntrans-98.66.2175.963.60000113.5D65 T70D65-S68 WeakPolarHBondContact CB-OG 2.98Å; D65-S68 PolarHBondContact O-N 3.22Å; D65-S68 PolarHBondContact OD1-N 3.1Å; D65-S68 WeakPolarHBondContact OD2-CB 3.5Å; D65-S68 PolarHBondContact OD2-OG 3.47Å; S68-T70 PolarHBondContact O-N 3Å; S68-T70 PolarHBondContact O-OG1 3.31Å
69N95.9Very high97.3Very high32 Ų3239.7 Ų39.717%0.17124%0.24CC..THydrogen-bonded Turntrans52.239-179.8-147.644.5000112.9T15 A16 F19 I21 D65T15-N69 WeakPolarHBondContact CA-O 3.39Å; A16-N69 VanDerWaalsContact CB-ND2 3.33Å; A16-N69 WeakPolarHBondContact CB-ND2 3.32Å; A16-N69 PolarHBondContact N-O 2.73Å; A16-N69 PolarHBondContact O-ND2 2.92Å; F19-N69 PolarHBondContact O-ND2 3.37Å; I21-N69 WeakPolarHBondContact CB-OD1 3.35Å; I21-N69 WeakPolarHBondContact CG2-OD1 2.98Å; I21-N69 PolarHBondContact N-OD1 3.07Å; D65-N69 PolarHBondContact O-N 2.8Å
70T97.8Very high97.2Very high7 Ų741.6 Ų41.64%0.04326%0.259CS..EExtended strand (participates in β ladder)trans-130.1127.9-168.4-61.40000112.1C14 T15 A64 D65 S68 Y72C14-T70 CarbonylContact O-C 3.6Å; C14-T70 WeakPolarHBondContact O-CA 3.4Å; T15-T70 PolarHBondContact OG1-OG1 2.88Å; A64-T70 WeakPolarHBondContact CA-O 3.42Å; D65-T70 PolarHBondContact N-O 3.02Å; D65-T70 PolarHBondContact O-N 3.23Å; S68-T70 PolarHBondContact O-N 3Å; S68-T70 PolarHBondContact O-OG1 3.31Å; T70-Y72 HydrophobicContact CG2-CD1 4.25Å; T70-Y72 HydrophobicContact CG2-CD2 4.5Å; T70-Y72 HydrophobicContact CG2-CE1 3.63Å; T70-Y72 HydrophobicContact CG2-CE2 3.89Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.41Å; T70-Y72 WeakPolarHBondContact O-CE2 3.43Å
71A97.8Very high96.9Very high0 Ų047.2 Ų47.20%028%0.284CS..EExtended strand (participates in β ladder)trans-93.9152.1168.300000110.9S13 C14 I21 M26 T63S13-A71 CarbonylContact C-O 3.37Å; S13-A71 WeakPolarHBondContact CA-O 2.98Å; C14-A71 PolarHBondContact N-O 3.24Å; C14-A71 PolarHBondContact O-N 3.38Å; I21-A71 HydrophobicContact CD1-CB 3.96Å; M26-A71 HydrophobicContact CB-CB 3.92Å; M26-A71 HydrophobicContact CE-CB 4.08Å; M26-A71 HydrophobicContact CG-CB 4.02Å; T63-A71 CarbonylContact O-C 3.57Å; T63-A71 WeakPolarHBondContact O-CA 3.39Å
72Y98.4Very high96.8Very high49 Ų4944.1 Ų44.119%0.19227%0.265CS..EExtended strand (participates in β ladder)trans-132.2142-179.2-55.4-85000111.2K11 L12 I62 T63 D65 T70K11-Y72 HydrophobicContact CD-CD1 4.48Å; K11-Y72 VanDerWaalsContact CE-CD1 3.41Å; L12-Y72 CarbonylContact O-C 3.56Å; L12-Y72 WeakPolarHBondContact O-CA 3.45Å; I62-Y72 WeakPolarHBondContact CA-O 3.27Å; T63-Y72 PolarHBondContact N-O 3.43Å; T63-Y72 PolarHBondContact O-N 2.98Å; D65-Y72 HydrophobicContact CB-CE2 3.94Å; T70-Y72 HydrophobicContact CG2-CD1 4.25Å; T70-Y72 HydrophobicContact CG2-CD2 4.5Å; T70-Y72 HydrophobicContact CG2-CE1 3.63Å; T70-Y72 HydrophobicContact CG2-CE2 3.89Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.41Å; T70-Y72 WeakPolarHBondContact O-CE2 3.43Å
73L98.6Very high96.7Very high0 Ų045.7 Ų45.70%028%0.275CS..EExtended strand (participates in β ladder)trans-119.1117.1168.6170.367.6000108.4K11 L12 W28 I40 A60 I62 L75 Y86K11-L73 CarbonylContact C-O 3.6Å; K11-L73 WeakPolarHBondContact CA-O 3.31Å; L12-L73 HydrophobicContact CB-CB 4.49Å; L12-L73 HydrophobicContact CD1-CD2 4.4Å; L12-L73 PolarHBondContact N-O 2.82Å; L12-L73 PolarHBondContact O-N 2.69Å; W28-L73 HydrophobicContact CB-CD2 4.11Å; W28-L73 HydrophobicContact CD2-CB 3.44Å; W28-L73 VanDerWaalsContact CD2-CB 3.44Å; W28-L73 HydrophobicContact CD2-CD2 3.86Å; W28-L73 HydrophobicContact CD2-CG 4.21Å; W28-L73 VanDerWaalsContact CE2-CB 3.45Å; W28-L73 HydrophobicContact CE3-CB 3.7Å; W28-L73 HydrophobicContact CE3-CD2 3.64Å; W28-L73 HydrophobicContact CE3-CG 4.32Å; W28-L73 HydrophobicContact CG-CB 3.94Å; W28-L73 HydrophobicContact CG-CD2 4.07Å; W28-L73 HydrophobicContact CG-CG 4.41Å; W28-L73 HydrophobicContact CH2-CB 3.97Å; W28-L73 HydrophobicContact CZ2-CB 3.74Å; W28-L73 HydrophobicContact CZ3-CB 3.95Å; W28-L73 HydrophobicContact CZ3-CD2 4.32Å; I40-L73 HydrophobicContact CD1-CD2 3.74Å; I40-L73 HydrophobicContact CG2-CD1 4.21Å; A60-L73 HydrophobicContact CB-CD1 3.84Å; I62-L73 HydrophobicContact CG1-CD1 3.87Å; L73-L75 HydrophobicContact CD1-CD2 4.1Å; L73-L75 HydrophobicContact CD1-CG 4.37Å; L73-L75 HydrophobicContact CD2-CD1 4.21Å; L73-L75 HydrophobicContact CD2-CD2 4.32Å; L73-L75 HydrophobicContact CD2-CG 4.2Å; L73-L75 HydrophobicContact CG-CD2 4.3Å; L73-L75 HydrophobicContact CG-CG 4.07Å; L73-Y86 HydrophobicContact CD2-CD1 3.98Å; L73-Y86 HydrophobicContact CD2-CE1 4.49Å
74Q98.3Very high96.6Very high87 Ų8742.8 Ų42.841%0.40726%0.257SS..EExtended strand (participates in β ladder)trans-99.8127.5168.7-175.81721.900109.3V10 A60 T61V10-Q74 CarbonylContact O-C 3.59Å; V10-Q74 VanDerWaalsContact O-CA 3.3Å; V10-Q74 WeakPolarHBondContact O-CA 3.31Å; A60-Q74 CarbonylContact C-O 3.49Å; A60-Q74 WeakPolarHBondContact CA-O 3.37Å; T61-Q74 PolarHBondContact N-O 2.81Å; T61-Q74 PolarHBondContact O-N 2.02Å
75L97.8Very high96.6Very high0 Ų043 Ų430%026%0.255CS..EExtended strand (participates in β ladder)trans-113.9128.8173.3-62.2163.3000108.6S9 V10 K59 A60 L73 L78 Y86S9-L75 CarbonylContact C-O 3.57Å; S9-L75 WeakPolarHBondContact CA-O 3.23Å; S9-L75 VanDerWaalsContact CB-O 3.3Å; S9-L75 WeakPolarHBondContact CB-O 3.3Å; V10-L75 HydrophobicContact CG1-CB 3.88Å; V10-L75 HydrophobicContact CG1-CD1 4.04Å; V10-L75 HydrophobicContact CG1-CG 4.39Å; V10-L75 PolarHBondContact N-O 3.46Å; V10-L75 PolarHBondContact O-N 2.81Å; K59-L75 WeakPolarHBondContact O-CA 3.13Å; A60-L75 HydrophobicContact CB-CD2 3.97Å; L73-L75 HydrophobicContact CD1-CD2 4.1Å; L73-L75 HydrophobicContact CD1-CG 4.37Å; L73-L75 HydrophobicContact CD2-CD1 4.21Å; L73-L75 HydrophobicContact CD2-CD2 4.32Å; L73-L75 HydrophobicContact CD2-CG 4.2Å; L73-L75 HydrophobicContact CG-CD2 4.3Å; L73-L75 HydrophobicContact CG-CG 4.07Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.29Å; L75-Y86 HydrophobicContact CD1-CD1 4.03Å; L75-Y86 HydrophobicContact CD1-CE1 3.36Å; L75-Y86 HydrophobicContact CD1-CE2 4.36Å
76S96.9Very high96.6Very high36 Ų3640.5 Ų40.525%0.25224%0.241SC..  trans-104.3158.717961.60000112.1S9 K59 L78S9-S76 WeakPolarHBondContact OG-CA 3.45Å; K59-S76 WeakPolarHBondContact CE-O 3.47Å; K59-S76 WeakPolarHBondContact CG-O 3.44Å; K59-S76 PolarHBondContact O-N 2.91Å; K59-S76 PolarHBondContact O-OG 2.8Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 2.87Å
77S95.9Very high96.6Very high81 Ų8140.2 Ų40.257%0.56624%0.235SC*.SBendtrans49.451.7171.9-59.60000113.2A8A8-S77 PolarHBondContact O-N 2.96Å
78L96.3Very high96.6Very high1 Ų135.7 Ų35.71%0.00520%0.203CC..  trans-62.7142.4-174.8-69.2174.6000112.4V4 P6 G7 A8 V10 L75 S76 D82 V108 V110V4-L78 HydrophobicContact CB-CD1 4.5Å; V4-L78 HydrophobicContact CG2-CD1 3.5Å; P6-L78 CarbonylContact C-O 3.54Å; P6-L78 WeakPolarHBondContact CA-O 3.28Å; G7-L78 PolarHBondContact N-O 2.85Å; A8-L78 WeakPolarHBondContact O-CB 3.37Å; A8-L78 WeakPolarHBondContact O-CG 3.3Å; A8-L78 PolarHBondContact O-N 2.91Å; V10-L78 HydrophobicContact CB-CD1 4.12Å; V10-L78 HydrophobicContact CG1-CD1 3.78Å; V10-L78 HydrophobicContact CG1-CD2 4.49Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.29Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 2.87Å; L78-D82 VanDerWaalsContact CA-OD2 3.31Å; L78-D82 WeakPolarHBondContact CA-OD2 3.44Å; L78-D82 HydrophobicContact CD2-CB 3.67Å; L78-V108 HydrophobicContact CD1-CG1 4.44Å; L78-V110 HydrophobicContact CB-CG1 4.2Å; L78-V110 HydrophobicContact CB-CG2 3.96Å; L78-V110 HydrophobicContact CD1-CG2 4.23Å
79T95.5Very high96.5Very high59 Ų5933.6 Ų33.636%0.36219%0.188SC..  trans-122.4168.7174.966.80000109.7E81 D82 V110T79-E81 PolarHBondContact O-N 2.87Å; T79-E81 VanDerWaalsContact O-N 3.07Å; T79-D82 PolarHBondContact N-OD2 3.42Å; T79-D82 WeakPolarHBondContact O-CB 3.34Å; T79-D82 PolarHBondContact O-N 3.06Å; T79-D82 PolarHBondContact OG1-OD2 2.8Å; T79-V110 VanDerWaalsContact O-CB 3.32Å; T79-V110 WeakPolarHBondContact O-CB 3.29Å; T79-V110 WeakPolarHBondContact O-CG1 3.38Å; T79-V110 WeakPolarHBondContact O-CG2 3.15Å
80S94.1Very high96.2Very high86 Ų8632.2 Ų32.260%0.60118%0.181SC*.G310 helixtrans-53.5-31.1177.150.50000112.8D82 T83S80-D82 PolarHBondContact O-N 2.96Å; S80-T83 WeakPolarHBondContact O-CB 3.33Å; S80-T83 PolarHBondContact O-N 2.85Å; S80-T83 VanDerWaalsContact O-N 3.11Å; S80-T83 PolarHBondContact O-OG1 2.98Å; S80-T83 VanDerWaalsContact O-OG1 3.08Å
81E92.5Very high95.2Very high123 Ų12332.2 Ų32.258%0.57518%0.183SC*.G310 helixtrans-64.9-16.9175.5-78-166.1-14600115.1R32 T79 T83R32-E81 PolarHBondContact NE-O 3.11Å; R32-E81 PolarHBondContact NH2-O 3.11Å; R32-E81 IonicContact NH2-OE2 3.75Å; R32-E81 PolarHBondContact NH2-OE2 2.94Å; T79-E81 PolarHBondContact O-N 2.87Å; T79-E81 VanDerWaalsContact O-N 3.07Å; E81-T83 VanDerWaalsContact C-N 3.27Å
82D94.9Very high93.5Very high5 Ų535.8 Ų35.83%0.02721%0.212CC..G310 helixtrans-86.9-0.1174.8-56.6-52.9000112.5K59 L78 T79 S80 A84 Y86 V110K59-D82 WeakPolarHBondContact CE-OD1 3.13Å; K59-D82 WeakPolarHBondContact CE-OD2 3.43Å; K59-D82 IonicContact NZ-OD1 2.79Å; K59-D82 PolarHBondContact NZ-OD1 2.86Å; K59-D82 IonicContact NZ-OD2 2.57Å; K59-D82 PolarHBondContact NZ-OD2 3.06Å; L78-D82 VanDerWaalsContact CA-OD2 3.31Å; L78-D82 WeakPolarHBondContact CA-OD2 3.44Å; L78-D82 HydrophobicContact CD2-CB 3.67Å; T79-D82 PolarHBondContact N-OD2 3.42Å; T79-D82 WeakPolarHBondContact O-CB 3.34Å; T79-D82 PolarHBondContact O-N 3.06Å; T79-D82 PolarHBondContact OG1-OD2 2.8Å; S80-D82 PolarHBondContact O-N 2.96Å; D82-A84 PolarHBondContact O-N 2.9Å; D82-Y86 WeakPolarHBondContact O-CE2 3.3Å; D82-Y86 PolarHBondContact O-OH 2.85Å; D82-V110 HydrophobicContact CB-CG2 4.2Å
83T96.4Very high91.4Very high39 Ų3940 Ų4024%0.23923%0.228CC..  trans-63.7109.9171.3-61.60000109.8S80 E81 V108 T109 V110S80-T83 WeakPolarHBondContact O-CB 3.33Å; S80-T83 PolarHBondContact O-N 2.85Å; S80-T83 VanDerWaalsContact O-N 3.11Å; S80-T83 PolarHBondContact O-OG1 2.98Å; S80-T83 VanDerWaalsContact O-OG1 3.08Å; E81-T83 VanDerWaalsContact C-N 3.27Å; T83-V108 VanDerWaalsContact CA-O 3.29Å; T83-V108 WeakPolarHBondContact CA-O 3.48Å; T83-T109 HydrophobicContact CG2-CG2 4.4Å; T83-V110 PolarHBondContact OG1-N 3.35Å
84A97.1Very high89.1Confident0 Ų048.3 Ų48.30%026%0.261CS..EExtended strand (participates in β ladder)trans-165.4164.2-173.300000110.7K30 Q31 R32 D82 Y86 V108K30-A84 HydrophobicContact CB-CB 4.09Å; K30-A84 HydrophobicContact CD-CB 4.18Å; K30-A84 HydrophobicContact CG-CB 4.24Å; Q31-A84 CarbonylContact O-C 3.6Å; Q31-A84 WeakPolarHBondContact O-CA 3.42Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.38Å; R32-A84 HydrophobicContact CG-CB 4.01Å; D82-A84 PolarHBondContact O-N 2.9Å; A84-Y86 HydrophobicContact CB-CD2 4.33Å; A84-Y86 HydrophobicContact CB-CE2 3.8Å; A84-Y86 WeakPolarHBondContact O-CD2 3.49Å; A84-V108 PolarHBondContact N-O 3.29Å; A84-V108 VanDerWaalsContact N-O 3.13Å; A84-V108 PolarHBondContact O-N 2.62Å
85V97.7Very high86.8Confident38 Ų3849 Ų4923%0.2328%0.275CS..EExtended strand (participates in β ladder)trans-86.6127.6162.5-170.70000108.4K30 Q31 Y87 L107K30-V85 CarbonylContact C-O 3.59Å; K30-V85 WeakPolarHBondContact CA-O 3.32Å; Q31-V85 PolarHBondContact N-O 2.75Å; Q31-V85 PolarHBondContact O-N 2.97Å; V85-Y87 HydrophobicContact CB-CE2 3.69Å; V85-Y87 HydrophobicContact CG1-CD2 4.22Å; V85-Y87 HydrophobicContact CG1-CE1 3.93Å; V85-Y87 HydrophobicContact CG1-CE2 3.5Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.39Å; V85-L107 HydrophobicContact CG2-CB 4.43Å; V85-L107 HydrophobicContact CG2-CD1 4.2Å
86Y97.8Very high84.5Confident3 Ų355.7 Ų55.71%0.01231%0.311CS..EExtended strand (participates in β ladder)trans-105.1127179.2-71.1-96.1000109.8L12 V29 K30 I40 L73 L75 D82 A84 G105 T106 V108L12-Y86 VanDerWaalsContact CD1-CB 3.42Å; L12-Y86 HydrophobicContact CD1-CD1 4.23Å; L12-Y86 HydrophobicContact CD1-CD2 4.25Å; L12-Y86 HydrophobicContact CD1-CG 3.72Å; V29-Y86 WeakPolarHBondContact O-CA 3.37Å; K30-Y86 HydrophobicContact CB-CD1 3.79Å; K30-Y86 HydrophobicContact CB-CE1 3.63Å; K30-Y86 HydrophobicContact CB-CG 4.38Å; K30-Y86 HydrophobicContact CD-CE1 4.23Å; I40-Y86 HydrophobicContact CD1-CD1 3.73Å; I40-Y86 HydrophobicContact CD1-CE1 3.76Å; L73-Y86 HydrophobicContact CD2-CD1 3.98Å; L73-Y86 HydrophobicContact CD2-CE1 4.49Å; L75-Y86 HydrophobicContact CD1-CD1 4.03Å; L75-Y86 HydrophobicContact CD1-CE1 3.36Å; L75-Y86 HydrophobicContact CD1-CE2 4.36Å; D82-Y86 WeakPolarHBondContact O-CE2 3.3Å; D82-Y86 PolarHBondContact O-OH 2.85Å; A84-Y86 HydrophobicContact CB-CD2 4.33Å; A84-Y86 HydrophobicContact CB-CE2 3.8Å; A84-Y86 WeakPolarHBondContact O-CD2 3.49Å; Y86-G105 CarbonylContact O-C 3.55Å; Y86-G105 WeakPolarHBondContact O-CA 3.43Å; Y86-T106 PolarHBondContact N-O 3.5Å; Y86-T106 PolarHBondContact O-N 3.5Å; Y86-V108 HydrophobicContact CD2-CB 3.94Å; Y86-V108 HydrophobicContact CD2-CG2 3.71Å; Y86-V108 HydrophobicContact CE2-CB 3.8Å; Y86-V108 HydrophobicContact CE2-CG2 4.01Å
87Y97.1Very high82.4Confident45 Ų4565.2 Ų65.218%0.17634%0.343CS..EExtended strand (participates in β ladder)trans-115.5144.1-178.7-59.8-88.4000109.9W28 V29 Q31 V85 W102 G103W28-Y87 WeakPolarHBondContact CA-O 3.21Å; V29-Y87 PolarHBondContact N-O 3.45Å; V29-Y87 PolarHBondContact O-N 2.82Å; Q31-Y87 HydrophobicContact CB-CD2 4.42Å; Q31-Y87 HydrophobicContact CB-CE2 3.8Å; Q31-Y87 PolarHBondContact OE1-OH 2.89Å; V85-Y87 HydrophobicContact CB-CE2 3.69Å; V85-Y87 HydrophobicContact CG1-CD2 4.22Å; V85-Y87 HydrophobicContact CG1-CE1 3.93Å; V85-Y87 HydrophobicContact CG1-CE2 3.5Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.39Å; Y87-W102 HydrophobicContact CD1-CE3 4.29Å; Y87-W102 HydrophobicContact CG-CE3 4.06Å; Y87-W102 HydrophobicContact CG-CZ3 4.12Å; Y87-G103 WeakPolarHBondContact CD1-O 3.2Å
88C96Very high80.6Confident12 Ų1269 Ų698%0.08135%0.352CS..EExtended strand (participates in β ladder)trans-100.3150.5159.357.70000109.4C14 M26 H27 W28 G103C14-C88 HydrophobicContact CB-CB 3.39Å; C14-C88 WeakPolarHBondContact CB-SG 3.49Å; C14-C88 WeakPolarHBondContact SG-CB 3.29Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.83Å; M26-C88 HydrophobicContact CE-CB 4.48Å; H27-C88 CarbonylContact O-C 3.45Å; H27-C88 VanDerWaalsContact O-CA 3.28Å; H27-C88 WeakPolarHBondContact O-CA 3.31Å; W28-C88 HydrophobicContact CD2-CB 4.41Å; W28-C88 HydrophobicContact CE3-CB 4.29Å; W28-C88 HydrophobicContact CH2-CB 4.31Å; W28-C88 HydrophobicContact CZ2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.24Å; C88-G103 PolarHBondContact O-N 2.78Å
89T93.9Very high79.1Confident2 Ų272.7 Ų72.71%0.01237%0.368CS..EExtended strand (participates in β ladder)trans-152.1161.8175.8-176.30000111.5H27 V29 F99 Y101 W102H27-T89 HydrophobicContact CB-CG2 3.71Å; H27-T89 PolarHBondContact N-O 2.83Å; H27-T89 PolarHBondContact O-N 2.87Å; V29-T89 HydrophobicContact CG2-CG2 4.2Å; T89-F99 HydrophobicContact CG2-CB 4.38Å; T89-F99 HydrophobicContact CG2-CD1 3.39Å; T89-F99 HydrophobicContact CG2-CE1 3.71Å; T89-F99 HydrophobicContact CG2-CG 3.87Å; T89-F99 HydrophobicContact CG2-CZ 4.4Å; T89-F99 WeakPolarHBondContact OG1-CB 3.36Å; T89-Y101 CarbonylContact C-O 3.59Å; T89-Y101 WeakPolarHBondContact CA-O 3.35Å; T89-Y101 VanDerWaalsContact CB-O 3.24Å; T89-Y101 WeakPolarHBondContact CB-O 3.24Å; T89-Y101 PolarHBondContact OG1-O 2.95Å; T89-W102 HydrophobicContact CG2-CD2 4.48Å; T89-W102 HydrophobicContact CG2-CH2 4.21Å; T89-W102 HydrophobicContact CG2-CZ2 4.13Å; T89-W102 HydrophobicContact CG2-CZ3 4.43Å
90T89.8Confident78Confident4 Ų472.9 Ų72.93%0.02538%0.376CS..EExtended strand (participates in β ladder)trans-117.3151.9178.3710000112.1F19 Y25 M26 F99 A100 Y101F19-T90 HydrophobicContact CE2-CG2 3.96Å; F19-T90 HydrophobicContact CZ-CG2 3.64Å; Y25-T90 WeakPolarHBondContact O-CA 3.35Å; M26-T90 HydrophobicContact CE-CG2 4.14Å; M26-T90 HydrophobicContact SD-CG2 3.54Å; M26-T90 VanDerWaalsContact SD-CG2 3.54Å; T90-F99 CarbonylContact O-C 3.57Å; T90-F99 VanDerWaalsContact O-CA 3.24Å; T90-F99 WeakPolarHBondContact O-CA 3.19Å; T90-A100 PolarHBondContact O-N 2.8Å; T90-Y101 PolarHBondContact N-O 3.2Å; T90-Y101 VanDerWaalsContact N-O 3.15Å
91G76.4Confident77.6Confident7 Ų776.1 Ų76.17%0.07238%0.376CS..EExtended strand (participates in β ladder)trans175.8162.2175.600000112.7Y25Y25-G91 WeakPolarHBondContact CB-O 3.22Å; Y25-G91 WeakPolarHBondContact CD2-O 3.06Å
92A63Low77.6Confident74 Ų7475 Ų7561%0.61237%0.367SS*.  trans-94.8147.1-175.200000113.9Y94A92-Y94 VanDerWaalsContact C-N 3.33Å; A92-Y94 PolarHBondContact O-N 2.85Å
93Y54Low77.5Confident137 Ų13776 Ų7654%0.53738%0.378SS..SBendtrans-70.7-21.7176-175-93.2000113.8
94Y50.8Low77.4Confident175 Ų17583.1 Ų83.169%0.68641%0.409SS*.SBendtrans-110.1101.4-172.5-67-77.1000112.8A92A92-Y94 VanDerWaalsContact C-N 3.33Å; A92-Y94 PolarHBondContact O-N 2.85Å
95S48.1Very low77.4Confident101 Ų10184.3 Ų84.371%0.70642%0.421SS*.SBendtrans63.3107167.261.70000116.1
96N50.1Low77.3Confident141 Ų14185 Ų8575%0.75443%0.425SS*.  trans97.993.5168-41.4-30000112.5E98N96-E98 PolarHBondContact O-N 3.2Å
97Y53.9Low77.3Confident236 Ų23688.5 Ų88.593%0.92544%0.444SS*.  trans-59.667.6-178.5-67.4-89.2000114.2
98E57.1Low77.3Confident160 Ų16086.3 Ų86.375%0.74844%0.435SS*.  trans-107.8103.2169.9-72.6-173.3171.600109.2N96 A100N96-E98 PolarHBondContact O-N 3.2Å; E98-A100 PolarHBondContact O-N 3.11Å
99F64.9Low77.4Confident79 Ų7987.8 Ų87.835%0.34644%0.444SS..  trans-62.4102.3161.1-73.2-55.1000108.3H27 T89 T90 W102H27-F99 HydrophobicContact CB-CE1 3.92Å; H27-F99 AromaticContact CD2-CE1 3.86Å; H27-F99 AromaticContact CG-CE1 3.58Å; H27-F99 AromaticContact ND1-CE1 3.72Å; T89-F99 HydrophobicContact CG2-CB 4.38Å; T89-F99 HydrophobicContact CG2-CD1 3.39Å; T89-F99 HydrophobicContact CG2-CE1 3.71Å; T89-F99 HydrophobicContact CG2-CG 3.87Å; T89-F99 HydrophobicContact CG2-CZ 4.4Å; T89-F99 WeakPolarHBondContact OG1-CB 3.36Å; T90-F99 CarbonylContact O-C 3.57Å; T90-F99 VanDerWaalsContact O-CA 3.24Å; T90-F99 WeakPolarHBondContact O-CA 3.19Å; F99-W102 HydrophobicContact CB-CZ2 3.98Å; F99-W102 AromaticContact CD2-CZ2 3.73Å; F99-W102 HydrophobicContact CD2-CZ2 3.73Å; F99-W102 HydrophobicContact CE2-CZ2 4.46Å; F99-W102 AromaticContact CG-CZ2 3.97Å; F99-W102 HydrophobicContact CG-CZ2 3.97Å
100A72.7Confident77.5Confident64 Ų6488 Ų8853%0.52945%0.445SS..  trans-75.1-39.9-167.800000112.1T90 E98T90-A100 PolarHBondContact O-N 2.8Å; E98-A100 PolarHBondContact O-N 3.11Å
101Y85.3Confident77.7Confident153 Ų15390.3 Ų90.360%0.646%0.462SS*.EExtended strand (participates in β ladder)trans-131.5134.9-176.6-60.4-76.9000111.2T89 T90T89-Y101 CarbonylContact C-O 3.59Å; T89-Y101 WeakPolarHBondContact CA-O 3.35Å; T89-Y101 VanDerWaalsContact CB-O 3.24Å; T89-Y101 WeakPolarHBondContact CB-O 3.24Å; T89-Y101 PolarHBondContact OG1-O 2.95Å; T90-Y101 PolarHBondContact N-O 3.2Å; T90-Y101 VanDerWaalsContact N-O 3.15Å
102W92.1Very high78Confident100 Ų10096.5 Ų96.538%0.37951%0.512SS..EExtended strand (participates in β ladder)trans-116.8135176.4-7475000110.5V29 L37 Y87 T89 F99V29-W102 HydrophobicContact CB-CH2 4.18Å; V29-W102 HydrophobicContact CB-CZ3 4.07Å; V29-W102 HydrophobicContact CG1-CH2 4.15Å; V29-W102 HydrophobicContact CG1-CZ3 4.25Å; V29-W102 HydrophobicContact CG2-CH2 3.93Å; V29-W102 HydrophobicContact CG2-CZ3 4.2Å; L37-W102 HydrophobicContact CD1-CH2 3.78Å; L37-W102 HydrophobicContact CD1-CZ2 4.33Å; L37-W102 HydrophobicContact CD1-CZ3 4.41Å; L37-W102 HydrophobicContact CD2-CH2 4.36Å; L37-W102 HydrophobicContact CD2-CZ3 4.28Å; Y87-W102 HydrophobicContact CD1-CE3 4.29Å; Y87-W102 HydrophobicContact CG-CE3 4.06Å; Y87-W102 HydrophobicContact CG-CZ3 4.12Å; T89-W102 HydrophobicContact CG2-CD2 4.48Å; T89-W102 HydrophobicContact CG2-CH2 4.21Å; T89-W102 HydrophobicContact CG2-CZ2 4.13Å; T89-W102 HydrophobicContact CG2-CZ3 4.43Å; F99-W102 HydrophobicContact CB-CZ2 3.98Å; F99-W102 AromaticContact CD2-CZ2 3.73Å; F99-W102 HydrophobicContact CD2-CZ2 3.73Å; F99-W102 HydrophobicContact CE2-CZ2 4.46Å; F99-W102 AromaticContact CG-CZ2 3.97Å; F99-W102 HydrophobicContact CG-CZ2 3.97Å
103G93.7Very high78.8Confident26 Ų2697.7 Ų97.727%0.26851%0.507SS..  trans-66.5161.5165.500000111.3Y87 C88 G105Y87-G103 WeakPolarHBondContact CD1-O 3.2Å; C88-G103 PolarHBondContact O-N 2.78Å; G103-G105 PolarHBondContact O-N 3.03Å; G103-G105 VanDerWaalsContact O-N 3.09Å
104Q94.8Very high80.1Confident189 Ų18995.6 Ų95.688%0.88351%0.505SS*.  trans-65-14.5179.2-66.1-62.2-48.600113.9
105G95.8Very high81.7Confident25 Ų2591.2 Ų91.226%0.25850%0.495SS..  trans82.3151.7-175.800000112.9Y86 G103Y86-G105 CarbonylContact O-C 3.55Å; Y86-G105 WeakPolarHBondContact O-CA 3.43Å; G103-G105 PolarHBondContact O-N 3.03Å; G103-G105 VanDerWaalsContact O-N 3.09Å
106T97.1Very high83.7Confident53 Ų5390.6 Ų90.633%0.32548%0.483SS..EExtended strand (participates in β ladder)trans-127.7121.4173.1-71.50000109.4L12 Y86 V108L12-T106 HydrophobicContact CD2-CG2 4.13Å; Y86-T106 PolarHBondContact N-O 3.5Å; Y86-T106 PolarHBondContact O-N 3.5Å; T106-V108 PolarHBondContact O-N 2.81Å
107L97.2Very high85.8Confident75 Ų7587.4 Ų87.439%0.39347%0.466SS..EExtended strand (participates in β ladder)trans-68.1122.6170.417764000109.7A1 E2 V85A1-L107 CarbonylContact C-O 3.57Å; A1-L107 WeakPolarHBondContact CA-O 3.21Å; A1-L107 HydrophobicContact CB-CB 4.06Å; E2-L107 PolarHBondContact N-O 2.8Å; V85-L107 HydrophobicContact CG2-CB 4.43Å; V85-L107 HydrophobicContact CG2-CD1 4.2Å
108V97.1Very high87.9Confident0 Ų077.5 Ų77.50%044%0.435CS..EExtended strand (participates in β ladder)trans-107.4125.5164.9178.50000107.2E2 V4 V10 L12 L78 T83 A84 Y86 T106 V110E2-V108 CarbonylContact O-C 3.58Å; E2-V108 WeakPolarHBondContact O-CA 3.35Å; V4-V108 HydrophobicContact CG2-CG1 4.19Å; V10-V108 HydrophobicContact CG1-CG1 4.49Å; L12-V108 HydrophobicContact CD1-CG2 4.17Å; L12-V108 HydrophobicContact CD2-CG2 3.95Å; L78-V108 HydrophobicContact CD1-CG1 4.44Å; T83-V108 VanDerWaalsContact CA-O 3.29Å; T83-V108 WeakPolarHBondContact CA-O 3.48Å; A84-V108 PolarHBondContact N-O 3.29Å; A84-V108 VanDerWaalsContact N-O 3.13Å; A84-V108 PolarHBondContact O-N 2.62Å; Y86-V108 HydrophobicContact CD2-CB 3.94Å; Y86-V108 HydrophobicContact CD2-CG2 3.71Å; Y86-V108 HydrophobicContact CE2-CB 3.8Å; Y86-V108 HydrophobicContact CE2-CG2 4.01Å; T106-V108 PolarHBondContact O-N 2.81Å; V108-V110 HydrophobicContact CG1-CG2 4.42Å
109T97.1Very high90.1Very high43 Ų4371.6 Ų71.626%0.26441%0.413SS..EExtended strand (participates in β ladder)trans-114.3124.4178-58.80000109.2E2 L3 V4 T83E2-T109 PolarHBondContact O-N 3.46Å; L3-T109 WeakPolarHBondContact CA-O 3.47Å; L3-T109 HydrophobicContact CD1-CG2 3.72Å; V4-T109 PolarHBondContact N-O 2.93Å; T83-T109 HydrophobicContact CG2-CG2 4.4Å
110V96.1Very high92Very high7 Ų771.1 Ų71.14%0.04242%0.418CS..EExtended strand (participates in β ladder)trans-108.3105178-169.60000109V4 P6 L78 T79 D82 T83 V108V4-V110 HydrophobicContact CG2-CB 4.4Å; V4-V110 HydrophobicContact CG2-CG1 4.47Å; V4-V110 HydrophobicContact CG2-CG2 3.85Å; V4-V110 WeakPolarHBondContact O-CA 3.4Å; P6-V110 HydrophobicContact CB-CG1 4.45Å; P6-V110 HydrophobicContact CG-CG1 4.19Å; L78-V110 HydrophobicContact CB-CG1 4.2Å; L78-V110 HydrophobicContact CB-CG2 3.96Å; L78-V110 HydrophobicContact CD1-CG2 4.23Å; T79-V110 VanDerWaalsContact O-CB 3.32Å; T79-V110 WeakPolarHBondContact O-CB 3.29Å; T79-V110 WeakPolarHBondContact O-CG1 3.38Å; T79-V110 WeakPolarHBondContact O-CG2 3.15Å; D82-V110 HydrophobicContact CB-CG2 4.2Å; T83-V110 PolarHBondContact OG1-N 3.35Å; V108-V110 HydrophobicContact CG1-CG2 4.42Å
111S94Very high93.6Very high52 Ų5271.7 Ų71.736%0.36441%0.409SS..  trans-139.8150.7-179.670.20000112L3 V4 P6L3-S111 WeakPolarHBondContact CD1-OG 3.04Å; V4-S111 PolarHBondContact O-N 2.62Å; P6-S111 WeakPolarHBondContact CD-O 3.39Å
112A83.6Confident94.4Very high137 Ų13764.3 Ų64.3100%1.13239%0.392SS*.  trans-69.80176.100000112.2

Retrieved 112 of 112 residues in 34.6 ms (Link to these results)

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