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Tax1-binding protein 3

May regulate a number of protein-protein interactions by competing for PDZ domain binding sites. Binds CTNNB1 and may thereby act as an inhibitor of the Wnt signaling pathway. Competes with LIN7A for KCNJ4 binding, and thereby promotes KCNJ4 internalization. May play a role in the Rho signaling pathway (By similarity).

AlphaFold DB , UniProt , Accession Q4QQV1, Species RAT (Rattus norvegicus, Rat), Gene Tax1bp3, Length 98 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
1M49.7Very low69.5Low228 Ų228118.5 Ų118.5100%1.12370%0.697SS**  0120.70-66.2-176.5-161.600107.4
2S56.5Low70.8Confident111 Ų111111.9 Ų111.978%0.77666%0.659SS**  trans-79.6120.9173.443.40000109.1I4S2-I4 PolarHBondContact O-N 3.26Å
3Y64.6Low72.3Confident171 Ų171108.9 Ų108.967%0.67164%0.642SS**  trans-63.9125.5173.5170.5-101.1000109.6P5 V9Y3-P5 HydrophobicContact CD1-CG 4.27Å; Y3-P5 HydrophobicContact CE1-CB 4.23Å; Y3-P5 HydrophobicContact CE1-CG 3.94Å; Y3-V9 HydrophobicContact CE2-CG2 4.31Å
4I77Confident73.7Confident95 Ų95106.2 Ų106.249%0.48762%0.62SS.*  trans-102.6113.3173.1-57.3-179.2000107.4S2 G6 Q7S2-I4 PolarHBondContact O-N 3.26Å; I4-G6 PolarHBondContact O-N 2.81Å; I4-Q7 HydrophobicContact CB-CB 4.28Å; I4-Q7 PolarHBondContact O-N 2.72Å; I4-Q7 VanDerWaalsContact O-N 3.17Å
5P76.7Confident75.1Confident102 Ų102110.9 Ų110.966%0.66262%0.623SS**THydrogen-bonded Turntrans-53.7134.2176.8-25.333.6000111.8Y3 Q7Y3-P5 HydrophobicContact CD1-CG 4.27Å; Y3-P5 HydrophobicContact CE1-CB 4.23Å; Y3-P5 HydrophobicContact CE1-CG 3.94Å; P5-Q7 VanDerWaalsContact C-N 3.31Å; P5-Q7 PolarHBondContact O-N 3.09Å
6G78.5Confident76.3Confident81 Ų81106.6 Ų106.684%0.83560%0.6SS**THydrogen-bonded Turntrans86.6-11.5179.500000115.1I4I4-G6 PolarHBondContact O-N 2.81Å
7Q72.7Confident77.5Confident121 Ų121105.7 Ų105.757%0.56559%0.59SS**SBendtrans-80.6129.4173.5-158.7171.20.300110I4 P5 V9I4-Q7 HydrophobicContact CB-CB 4.28Å; I4-Q7 PolarHBondContact O-N 2.72Å; I4-Q7 VanDerWaalsContact O-N 3.17Å; P5-Q7 VanDerWaalsContact C-N 3.31Å; P5-Q7 PolarHBondContact O-N 3.09Å; Q7-V9 PolarHBondContact O-N 3.02Å
8P68.8Low78.6Confident109 Ų109101.7 Ų101.771%0.70857%0.567SS**  trans-62.1123.1-179.121.2-30.4000110.8T10P8-T10 PolarHBondContact O-N 2.76Å
9V67.4Low79.6Confident121 Ų121103.6 Ų103.673%0.73357%0.571SS**  trans-77.8114.1172.7-1780000107.6Y3 Q7Y3-V9 HydrophobicContact CE2-CG2 4.31Å; Q7-V9 PolarHBondContact O-N 3.02Å
10T73.1Confident80.5Confident119 Ų11999.4 Ų99.473%0.7355%0.546SS*.  trans-98.8115.8175.9-41.90000108.2P8P8-T10 PolarHBondContact O-N 2.76Å
11A79.8Confident81.3Confident45 Ų45100.2 Ų100.237%0.37255%0.549SS..  trans-113.3140.2176.200000109.9V13 T84A11-V13 PolarHBondContact O-N 2.71Å; A11-T84 HydrophobicContact CB-CG2 4.02Å
12V85.4Confident83.5Confident40 Ų4096.4 Ų96.424%0.24252%0.522CS..  trans-82117.3171-179.80000107.6L88 V92V12-L88 HydrophobicContact CB-CB 4.4Å; V12-L88 HydrophobicContact CG1-CB 3.86Å; V12-V92 HydrophobicContact CB-CG2 4.41Å; V12-V92 HydrophobicContact CG1-CG2 3.81Å; V12-V92 HydrophobicContact CG2-CB 3.85Å; V12-V92 HydrophobicContact CG2-CG1 4.14Å; V12-V92 HydrophobicContact CG2-CG2 3.74Å
13V89.3Confident85.3Confident73 Ų7397 Ų9744%0.44251%0.513SS..EExtended strand (participates in β ladder)trans-107.4139.6179.9-65.20000110.9A11 L82 V83A11-V13 PolarHBondContact O-N 2.71Å; V13-L82 HydrophobicContact CB-CD2 4.06Å; V13-L82 HydrophobicContact CG2-CD2 3.82Å; V13-V83 CarbonylContact C-O 3.47Å; V13-V83 WeakPolarHBondContact CA-O 3.45Å
14Q92.1Very high86.8Confident71 Ų7192.1 Ų92.133%0.33251%0.514SS..EExtended strand (participates in β ladder)trans-100.4132.1168.4-170.9173.914.300109.3V16 L82 V83 L88Q14-V16 HydrophobicContact CG-CG2 3.93Å; Q14-L82 WeakPolarHBondContact O-CA 3.42Å; Q14-V83 HydrophobicContact CB-CG2 3.88Å; Q14-V83 PolarHBondContact N-O 3.11Å; Q14-V83 PolarHBondContact O-N 3.19Å; Q14-L88 HydrophobicContact CB-CD1 3.57Å; Q14-L88 HydrophobicContact CG-CD1 4.29Å
15R94.5Very high87.5Confident177 Ų17795.3 Ų95.367%0.66853%0.527SS*.EExtended strand (participates in β ladder)trans-88.2120.9166.9-170.6174.9176.7171.5-3.3108.8L81 L82R15-L81 CarbonylContact C-O 3.55Å; R15-L81 WeakPolarHBondContact CA-O 3.42Å; R15-L82 HydrophobicContact CB-CD2 4.33Å
16V94.9Very high88.3Confident42 Ų4294.4 Ų94.426%0.25552%0.517SS..EExtended strand (participates in β ladder)trans-117.4130.6178.2-174.80000108.6Q14 I18 R80 L81 V83Q14-V16 HydrophobicContact CG-CG2 3.93Å; V16-I18 HydrophobicContact CG1-CD1 4.31Å; V16-I18 HydrophobicContact CG1-CG1 3.95Å; V16-R80 CarbonylContact O-C 3.59Å; V16-R80 WeakPolarHBondContact O-CA 3.4Å; V16-L81 HydrophobicContact CB-CB 4.34Å; V16-L81 PolarHBondContact N-O 3.03Å; V16-L81 PolarHBondContact O-N 3.03Å; V16-V83 HydrophobicContact CG2-CG2 4.05Å
17E97.4Very high89.1Confident91 Ų9191.6 Ų91.643%0.42548%0.482SS..EExtended strand (participates in β ladder)trans-112.1124175.7-174.8157.8153.900109.4H19 V78 R80E17-H19 IonicContact OE1-NE2 3.92Å; E17-V78 HydrophobicContact CG-CG1 3.57Å; E17-R80 HydrophobicContact CB-CG 4.45Å; E17-R80 VanDerWaalsContact CD-NH2 3.32Å; E17-R80 HydrophobicContact CG-CG 4.1Å; E17-R80 IonicContact OE1-CZ 3.59Å; E17-R80 IonicContact OE1-NE 3.71Å; E17-R80 IonicContact OE1-NH2 2.81Å; E17-R80 PolarHBondContact OE1-NH2 3.3Å; E17-R80 IonicContact OE2-CZ 3.39Å; E17-R80 IonicContact OE2-NE 2.72Å; E17-R80 PolarHBondContact OE2-NE 3.35Å; E17-R80 IonicContact OE2-NH2 3.26Å; E17-R80 PolarHBondContact OE2-NH2 3Å
18I96.6Very high90.3Very high34 Ų3488.6 Ų88.617%0.17447%0.469CS..EExtended strand (participates in β ladder)trans-120.9118.9-175.7-54.9175.4000108.3V16 L29 F31 V78 V79 L81V16-I18 HydrophobicContact CG1-CD1 4.31Å; V16-I18 HydrophobicContact CG1-CG1 3.95Å; I18-L29 HydrophobicContact CB-CD2 4.33Å; I18-L29 HydrophobicContact CG2-CD2 3.88Å; I18-F31 HydrophobicContact CD1-CD1 4.02Å; I18-F31 HydrophobicContact CD1-CE1 3.51Å; I18-F31 HydrophobicContact CD1-CZ 4.44Å; I18-V78 WeakPolarHBondContact O-CA 3.14Å; I18-V79 PolarHBondContact N-O 3.48Å; I18-V79 PolarHBondContact O-N 3.4Å; I18-L81 HydrophobicContact CD1-CD1 3.74Å; I18-L81 HydrophobicContact CD1-CG 4.44Å
19H97.6Very high91.6Very high138 Ų13884.9 Ų84.964%0.63944%0.444SS*.EExtended strand (participates in β ladder)trans-83.5119.1166.2-69.9-107.6000108.3E17E17-H19 IonicContact OE1-NE2 3.92Å
20K97.4Very high92.9Very high19 Ų1982.9 Ų82.98%0.08345%0.447CS..PPolyproline II helixtrans-65.1138.9179.6-68.1-179.1-173.7169.30110.3L27 I28 L29 L71 K73 E76 E77 V79K20-L27 HydrophobicContact CB-CB 3.88Å; K20-L27 HydrophobicContact CB-CD2 4.23Å; K20-L27 HydrophobicContact CD-CB 3.62Å; K20-L27 HydrophobicContact CD-CD1 4.38Å; K20-L27 HydrophobicContact CG-CB 4.37Å; K20-I28 CarbonylContact C-O 3.45Å; K20-I28 VanDerWaalsContact CA-O 3.29Å; K20-I28 WeakPolarHBondContact CA-O 3.33Å; K20-I28 WeakPolarHBondContact CB-O 3.42Å; K20-L29 HydrophobicContact CD-CD2 4.32Å; K20-L29 HydrophobicContact CG-CD2 3.66Å; K20-L29 HydrophobicContact CG-CG 4.17Å; K20-L71 WeakPolarHBondContact CE-O 3.36Å; K20-L71 PolarHBondContact NZ-O 2.68Å; K20-K73 PolarHBondContact NZ-O 2.91Å; K20-E76 WeakPolarHBondContact CD-O 3.34Å; K20-E76 WeakPolarHBondContact CE-O 3.47Å; K20-E76 PolarHBondContact NZ-O 3.12Å; K20-E77 WeakPolarHBondContact CB-O 3.48Å; K20-E77 WeakPolarHBondContact CG-O 3.35Å; K20-E77 PolarHBondContact N-O 3.18Å; K20-V79 VanDerWaalsContact CE-CG2 3.44Å
21L97.2Very high93.9Very high117 Ų11781 Ų8161%0.61343%0.429SS*.EExtended strand (participates in β ladder)trans-81.5133.8172.6-178.864.4000109.5L27 I28L21-L27 WeakPolarHBondContact O-CA 3.29Å; L21-I28 HydrophobicContact CB-CG1 3.9Å; L21-I28 HydrophobicContact CD2-CD1 4.3Å; L21-I28 HydrophobicContact CG-CG1 4.49Å; L21-I28 PolarHBondContact N-O 3.34Å; L21-I28 WeakPolarHBondContact O-CG1 3.36Å; L21-I28 PolarHBondContact O-N 2.82Å
22R96.3Very high94.5Very high147 Ų14783.7 Ų83.756%0.55545%0.445SS*.EExtended strand (participates in β ladder)trans-81.6124173.4-173.9166-69.7-85.21.3110.1L27 E77R22-L27 HydrophobicContact CB-CD2 4.2Å; R22-E77 IonicContact NH2-OE1 3.64Å; R22-E77 PolarHBondContact NH2-OE1 3.29Å
23Q95Very high94.9Very high125 Ų12584.3 Ų84.358%0.58445%0.446SS*.EExtended strand (participates in β ladder)trans-132.298.2175.7-168.8-177.137.300108.9E25 N26 I28Q23-E25 PolarHBondContact O-N 3.15Å; Q23-N26 PolarHBondContact N-O 2.85Å; Q23-N26 PolarHBondContact O-N 2.93Å; Q23-I28 HydrophobicContact CB-CD1 4.38Å
24G94.2Very high95.1Very high67 Ų6782.5 Ų82.569%0.69144%0.443SS*.THydrogen-bonded Turntrans59.5-125.3-16900000111N26G24-N26 VanDerWaalsContact C-N 3.31Å
25E93.2Very high95.1Very high162 Ų16280.2 Ų80.276%0.75744%0.438SS*.THydrogen-bonded Turntrans-82.8-6.5176.6-59.8-170167.900113.9Q23Q23-E25 PolarHBondContact O-N 3.15Å
26N93.6Very high95.1Very high83 Ų8373.3 Ų73.344%0.44442%0.422SS..EExtended strand (participates in β ladder)trans-98.2150.9-175.1-67.1-40.2000112.3Q23 G24 I28Q23-N26 PolarHBondContact N-O 2.85Å; Q23-N26 PolarHBondContact O-N 2.93Å; G24-N26 VanDerWaalsContact C-N 3.31Å; N26-I28 HydrophobicContact CB-CG2 4.43Å
27L95.6Very high95.1Very high23 Ų2376.1 Ų76.112%0.1243%0.434CS..EExtended strand (participates in β ladder)trans-111.1116167.5-70.1173.5000108.1K20 L21 R22 R74 E77K20-L27 HydrophobicContact CB-CB 3.88Å; K20-L27 HydrophobicContact CB-CD2 4.23Å; K20-L27 HydrophobicContact CD-CB 3.62Å; K20-L27 HydrophobicContact CD-CD1 4.38Å; K20-L27 HydrophobicContact CG-CB 4.37Å; L21-L27 WeakPolarHBondContact O-CA 3.29Å; R22-L27 HydrophobicContact CB-CD2 4.2Å; L27-R74 WeakPolarHBondContact CD1-O 3.38Å; L27-E77 HydrophobicContact CD1-CG 3.94Å
28I96Very high95.1Very high57 Ų5775.6 Ų75.629%0.29244%0.435SS..EExtended strand (participates in β ladder)trans-109.9148.4-175.466.9170.4000111.2K20 L21 Q23 N26K20-I28 CarbonylContact C-O 3.45Å; K20-I28 VanDerWaalsContact CA-O 3.29Å; K20-I28 WeakPolarHBondContact CA-O 3.33Å; K20-I28 WeakPolarHBondContact CB-O 3.42Å; L21-I28 HydrophobicContact CB-CG1 3.9Å; L21-I28 HydrophobicContact CD2-CD1 4.3Å; L21-I28 HydrophobicContact CG-CG1 4.49Å; L21-I28 PolarHBondContact N-O 3.34Å; L21-I28 WeakPolarHBondContact O-CG1 3.36Å; L21-I28 PolarHBondContact O-N 2.82Å; Q23-I28 HydrophobicContact CB-CD1 4.38Å; N26-I28 HydrophobicContact CB-CG2 4.43Å
29L96.4Very high95Very high32 Ų3278.3 Ų78.317%0.16845%0.447CS..  trans-95-22.4-180-72.8164.1000113.6I18 K20 F31 L71 V79I18-L29 HydrophobicContact CB-CD2 4.33Å; I18-L29 HydrophobicContact CG2-CD2 3.88Å; K20-L29 HydrophobicContact CD-CD2 4.32Å; K20-L29 HydrophobicContact CG-CD2 3.66Å; K20-L29 HydrophobicContact CG-CG 4.17Å; L29-F31 HydrophobicContact CB-CD1 3.63Å; L29-F31 HydrophobicContact CB-CE1 3.47Å; L29-F31 VanDerWaalsContact CB-CE1 3.47Å; L29-F31 HydrophobicContact CB-CZ 4.27Å; L29-F31 HydrophobicContact CD1-CE1 3.79Å; L29-F31 HydrophobicContact CD1-CZ 3.81Å; L29-F31 HydrophobicContact CD2-CE1 4.02Å; L29-F31 HydrophobicContact CG-CE1 3.96Å; L29-F31 HydrophobicContact CG-CZ 4.49Å; L29-L71 HydrophobicContact CD1-CB 3.78Å; L29-L71 HydrophobicContact CD1-CD2 4.05Å; L29-L71 HydrophobicContact CD1-CG 4.44Å; L29-V79 HydrophobicContact CD2-CB 3.93Å; L29-V79 HydrophobicContact CD2-CG1 4.45Å; L29-V79 HydrophobicContact CD2-CG2 3.94Å
30G94.7Very high94.8Very high78 Ų7876 Ų7680%0.80444%0.439SS*.SBendtrans77.415.3-178.200000115.1
31F94.2Very high94.5Very high80 Ų8080.2 Ų80.235%0.35147%0.469SS..  trans-138.6163.9173.270.2-94.2000111.8I18 L29 I33 L71 L81I18-F31 HydrophobicContact CD1-CD1 4.02Å; I18-F31 HydrophobicContact CD1-CE1 3.51Å; I18-F31 HydrophobicContact CD1-CZ 4.44Å; L29-F31 HydrophobicContact CB-CD1 3.63Å; L29-F31 HydrophobicContact CB-CE1 3.47Å; L29-F31 VanDerWaalsContact CB-CE1 3.47Å; L29-F31 HydrophobicContact CB-CZ 4.27Å; L29-F31 HydrophobicContact CD1-CE1 3.79Å; L29-F31 HydrophobicContact CD1-CZ 3.81Å; L29-F31 HydrophobicContact CD2-CE1 4.02Å; L29-F31 HydrophobicContact CG-CE1 3.96Å; L29-F31 HydrophobicContact CG-CZ 4.49Å; F31-I33 HydrophobicContact CD2-CG2 4.07Å; F31-I33 HydrophobicContact CE2-CG2 3.6Å; F31-L71 HydrophobicContact CE2-CD1 4.41Å; F31-L71 HydrophobicContact CZ-CD1 4.49Å; F31-L71 HydrophobicContact CZ-CD2 4.04Å; F31-L81 HydrophobicContact CE1-CD1 4.36Å; F31-L81 HydrophobicContact CZ-CD1 4.06Å
32S93.3Very high94.2Very high101 Ų10178.7 Ų78.771%0.70647%0.468SS*.  trans-110.2154.7176.8-61.90000111
33I93.2Very high93.9Very high53 Ų5378.8 Ų78.827%0.27247%0.474SS..  trans-118.2149.8176.361.1173000110.7F31 A67 R68 L71F31-I33 HydrophobicContact CD2-CG2 4.07Å; F31-I33 HydrophobicContact CE2-CG2 3.6Å; I33-A67 HydrophobicContact CD1-CB 4.01Å; I33-R68 HydrophobicContact CD1-CB 4.33Å; I33-L71 HydrophobicContact CD1-CD1 3.95Å; I33-L71 HydrophobicContact CG2-CD1 3.7Å
34G93.3Very high93.6Very high36 Ų3674.8 Ų74.837%0.37146%0.457SS..  trans-127.4162.8169.500000110.8
35G93.3Very high93.1Very high23 Ų2376.5 Ų76.524%0.23746%0.456CS..  trans88.5-165.6179.400000114.5Q39 H64G35-Q39 WeakPolarHBondContact O-CG 3.39Å; G35-H64 WeakPolarHBondContact O-CB 3.47Å; G35-H64 PolarHBondContact O-ND1 2.89Å
36G94.3Very high92.6Very high31 Ų3174.7 Ų74.732%0.3245%0.446SS..  trans122.9147-166.400000110.1D38 Q39 V62G36-D38 PolarHBondContact O-N 2.89Å; G36-D38 VanDerWaalsContact O-N 3.14Å; G36-Q39 PolarHBondContact O-N 2.82Å; G36-Q39 VanDerWaalsContact O-N 3.1Å; G36-V62 CarbonylContact C-O 3.54Å; G36-V62 WeakPolarHBondContact CA-O 3.36Å
37I94.5Very high91.6Very high101 Ų10174.3 Ų74.352%0.51845%0.45SS..THydrogen-bonded Turntrans-64.9-16.3-177.966.4176.4000113.4M61 V62 T63I37-M61 HydrophobicContact CG2-CE 4.4Å; I37-M61 HydrophobicContact CG2-SD 4.22Å; I37-V62 PolarHBondContact N-O 3.03Å; I37-T63 HydrophobicContact CD1-CG2 4.46Å; I37-T63 HydrophobicContact CG1-CG2 4.14Å
38D96.6Very high90.6Very high81 Ų8179.8 Ų79.843%0.43348%0.475SS..THydrogen-bonded Turntrans-97.73.2179.964.7-43.6000113.1G36 T63 H64G36-D38 PolarHBondContact O-N 2.89Å; G36-D38 VanDerWaalsContact O-N 3.14Å; D38-T63 HydrophobicContact CB-CG2 4.13Å; D38-T63 WeakPolarHBondContact OD1-CA 3.39Å; D38-T63 WeakPolarHBondContact OD1-CB 3.38Å; D38-H64 PolarHBondContact OD1-N 2.83Å
39Q95.1Very high89.8Confident90 Ų9080.2 Ų80.242%0.42148%0.477SS..SBendtrans-110155.3-178.8-56.7-60.7-56.700110.7G35 G36 P41 H64G35-Q39 WeakPolarHBondContact O-CG 3.39Å; G36-Q39 PolarHBondContact O-N 2.82Å; G36-Q39 VanDerWaalsContact O-N 3.1Å; Q39-P41 VanDerWaalsContact O-CD 3.27Å; Q39-P41 WeakPolarHBondContact O-CD 3.16Å; Q39-H64 HydrophobicContact CG-CB 3.81Å
40D93.3Very high89.2Confident89 Ų8985 Ų8548%0.47650%0.497SS..  trans-71.8117.8169.6179.7-2000109.8S42 Q43D40-S42 PolarHBondContact O-N 2.8Å; D40-S42 VanDerWaalsContact O-N 3.16Å; D40-S42 VanDerWaalsContact OD1-CB 3.29Å; D40-S42 WeakPolarHBondContact OD1-CB 3.48Å; D40-S42 PolarHBondContact OD1-N 2.88Å; D40-S42 PolarHBondContact OD1-OG 3.04Å; D40-S42 VanDerWaalsContact OD1-OG 3.07Å; D40-S42 PolarHBondContact OD2-OG 3.33Å; D40-Q43 HydrophobicContact CB-CG 3.95Å; D40-Q43 PolarHBondContact O-N 2.74Å
41P91.2Very high88.7Confident109 Ų10983.7 Ų83.771%0.70847%0.474SS*.G310 helixtrans-58.7-26.6178-23.134.5000113.7Q39 Q43 N44Q39-P41 VanDerWaalsContact O-CD 3.27Å; Q39-P41 WeakPolarHBondContact O-CD 3.16Å; P41-Q43 PolarHBondContact O-N 2.87Å; P41-N44 PolarHBondContact O-N 3.26Å
42S90.9Very high88.3Confident85 Ų8581.9 Ų81.959%0.59447%0.467SS*.G310 helixtrans-65.2-21.5178.4850000112.9D40D40-S42 PolarHBondContact O-N 2.8Å; D40-S42 VanDerWaalsContact O-N 3.16Å; D40-S42 VanDerWaalsContact OD1-CB 3.29Å; D40-S42 WeakPolarHBondContact OD1-CB 3.48Å; D40-S42 PolarHBondContact OD1-N 2.88Å; D40-S42 PolarHBondContact OD1-OG 3.04Å; D40-S42 VanDerWaalsContact OD1-OG 3.07Å; D40-S42 PolarHBondContact OD2-OG 3.33Å
43Q90.1Very high88.1Confident148 Ų14881.2 Ų81.269%0.69245%0.452SS*.G310 helixtrans-90.7-1.4-179.1-58.7-60.6-63.700113.1D40 P41 P45D40-Q43 HydrophobicContact CB-CG 3.95Å; D40-Q43 PolarHBondContact O-N 2.74Å; P41-Q43 PolarHBondContact O-N 2.87Å; Q43-P45 WeakPolarHBondContact O-CD 3.45Å
44N89.3Confident88.2Confident42 Ų4278.7 Ų78.723%0.22544%0.439CS..  trans-87.4108.2-179.6-176.38.1000111.5P41 F46P41-N44 PolarHBondContact O-N 3.26Å; N44-F46 PolarHBondContact O-N 2.94Å; N44-F46 PolarHBondContact OD1-N 3.34Å
45P84.1Confident88.2Confident103 Ų10378.9 Ų78.967%0.66943%0.432SS*.SBendtrans-74.8-9.9178.332.6-35.9000113.3Q43Q43-P45 WeakPolarHBondContact O-CD 3.45Å
46F81.1Confident88.2Confident123 Ų12380.8 Ų80.854%0.53945%0.451SS..  trans-114.353.8-174.3-53-66.4000111.9N44N44-F46 PolarHBondContact O-N 2.94Å; N44-F46 PolarHBondContact OD1-N 3.34Å
47S73.1Confident88.1Confident76 Ų7687.4 Ų87.453%0.53147%0.467SS..  trans-82.3-14.7-173.960.80000114.9
48E74.8Confident88.1Confident137 Ų13786.3 Ų86.364%0.6446%0.462SS*.SBendtrans-82.3-33.4-175.5-61.9-170.3172.200113.9
49D78.6Confident87.9Confident66 Ų6683.7 Ų83.735%0.35345%0.447SS..EExtended strand (participates in β ladder)trans-105.7120.8176.4-81.5-3.2000108.8T84 R85D49-T84 WeakPolarHBondContact CA-O 3.45Å; D49-R85 WeakPolarHBondContact OD1-CA 3.41Å; D49-R85 VanDerWaalsContact OD1-CB 3.3Å; D49-R85 WeakPolarHBondContact OD1-CB 3.3Å; D49-R85 WeakPolarHBondContact OD1-CG 3.48Å; D49-R85 IonicContact OD1-NE 3.82Å; D49-R85 IonicContact OD2-CZ 3.19Å; D49-R85 VanDerWaalsContact OD2-CZ 3.27Å; D49-R85 IonicContact OD2-NE 3.03Å; D49-R85 PolarHBondContact OD2-NE 3.35Å; D49-R85 IonicContact OD2-NH2 2.85Å; D49-R85 PolarHBondContact OD2-NH2 3.19Å
50K84.2Confident87.7Confident133 Ų13383.3 Ų83.358%0.57845%0.451SS*.EExtended strand (participates in β ladder)trans-116.5133.4-178.4-67.8-176.4-179.3178.10110.6V83 T84K50-V83 CarbonylContact O-C 3.59Å; K50-V83 WeakPolarHBondContact O-CA 3.44Å; K50-T84 PolarHBondContact N-O 2.96Å; K50-T84 PolarHBondContact O-N 3.38Å
51T83.4Confident87.7Confident51 Ų5185.8 Ų85.831%0.31346%0.462SS..EExtended strand (participates in β ladder)trans-88.2117.6170.8-59.20000109V54 M59 L81 V83T51-V54 HydrophobicContact CG2-CG2 3.86Å; T51-M59 HydrophobicContact CG2-CG 4.22Å; T51-M59 WeakPolarHBondContact O-CB 3.46Å; T51-L81 HydrophobicContact CG2-CD2 4.23Å; T51-V83 HydrophobicContact CG2-CG1 4.39Å
52D85.9Confident87.8Confident41 Ų4181.7 Ų81.722%0.21944%0.435CS..EExtended strand (participates in β ladder)trans-90.1-39.1-179-56.6-60.4000111.1M59 L82 T84D52-M59 PolarHBondContact O-N 2.88Å; D52-L82 PolarHBondContact N-O 3.27Å; D52-T84 PolarHBondContact OD2-N 2.82Å; D52-T84 PolarHBondContact OD2-OG1 2.85Å
53K90.9Very high88.1Confident88 Ų8879.4 Ų79.438%0.38342%0.417SS..EExtended strand (participates in β ladder)trans-142147.8178.6-54.5-172.9179.1-177.70113.9W57 L81 L82K53-W57 CarbonylContact C-O 3.53Å; K53-W57 WeakPolarHBondContact CA-O 3.46Å; K53-W57 WeakPolarHBondContact CB-O 3.35Å; K53-L81 WeakPolarHBondContact O-CA 3.15Å; K53-L82 HydrophobicContact CB-CB 4.14Å; K53-L82 HydrophobicContact CB-CD1 4.18Å; K53-L82 HydrophobicContact CD-CD1 4Å; K53-L82 HydrophobicContact CG-CD1 4.31Å; K53-L82 PolarHBondContact N-O 3.22Å; K53-L82 PolarHBondContact O-N 3.37Å
54V93.8Very high88.4Confident0 Ų075.1 Ų75.10%040%0.397CS..EExtended strand (participates in β ladder)trans-125.5112.2172.8173.80000109.2T51 G56 W57 M59 R70 L71 V79 L81T51-V54 HydrophobicContact CG2-CG2 3.86Å; V54-G56 PolarHBondContact O-N 2.86Å; V54-W57 PolarHBondContact N-O 2.92Å; V54-W57 WeakPolarHBondContact O-CB 3.33Å; V54-W57 PolarHBondContact O-N 2.89Å; V54-M59 HydrophobicContact CB-CG 4.1Å; V54-M59 HydrophobicContact CB-SD 3.89Å; V54-M59 HydrophobicContact CG2-CE 3.86Å; V54-M59 HydrophobicContact CG2-CG 3.6Å; V54-M59 HydrophobicContact CG2-SD 3.58Å; V54-M59 VanDerWaalsContact CG2-SD 3.58Å; V54-R70 HydrophobicContact CB-CG 4.07Å; V54-R70 HydrophobicContact CG1-CG 3.76Å; V54-L71 HydrophobicContact CB-CD2 4.49Å; V54-L71 HydrophobicContact CG1-CD2 3.82Å; V54-L71 HydrophobicContact CG1-CG 4.36Å; V54-L71 HydrophobicContact CG2-CD2 3.73Å; V54-L71 HydrophobicContact CG2-CG 4.24Å; V54-V79 HydrophobicContact CG1-CG1 4.06Å; V54-L81 HydrophobicContact CB-CD2 4.39Å; V54-L81 HydrophobicContact CG1-CD2 4.41Å; V54-L81 HydrophobicContact CG2-CD2 3.62Å
55N93.4Very high88.8Confident40 Ų4075.8 Ų75.821%0.21440%0.401CS..THydrogen-bonded Turntrans48.346.4-178-77.1-17.3000111.7W57 R70 E76 V78 R80N55-W57 PolarHBondContact O-N 2.79Å; N55-R70 PolarHBondContact O-NH2 2.72Å; N55-E76 PolarHBondContact ND2-OE2 2.93Å; N55-V78 PolarHBondContact ND2-O 3Å; N55-V78 VanDerWaalsContact ND2-O 3.09Å; N55-R80 PolarHBondContact N-O 3.01Å; N55-R80 WeakPolarHBondContact OD1-CB 3.13Å; N55-R80 PolarHBondContact OD1-N 3.46Å
56G93.6Very high89.4Confident63 Ų6375.8 Ų75.865%0.64939%0.391SS*.THydrogen-bonded Turntrans79.6-11.9-179.400000115.8V54V54-G56 PolarHBondContact O-N 2.86Å
57W93Very high90.2Very high170 Ų17070.3 Ų70.364%0.64437%0.369SS*.EExtended strand (participates in β ladder)trans-77.9134.3175.6-85.163.6000111.3K53 V54 N55 R70K53-W57 CarbonylContact C-O 3.53Å; K53-W57 WeakPolarHBondContact CA-O 3.46Å; K53-W57 WeakPolarHBondContact CB-O 3.35Å; V54-W57 PolarHBondContact N-O 2.92Å; V54-W57 WeakPolarHBondContact O-CB 3.33Å; V54-W57 PolarHBondContact O-N 2.89Å; N55-W57 PolarHBondContact O-N 2.79Å; W57-R70 HydrophobicContact CB-CG 4.36Å
58D93.8Very high91.3Very high77 Ų7771.9 Ų71.941%0.41236%0.363SS..EExtended strand (participates in β ladder)trans-69.3132.8175.1-162.2-62.2000110.9T60 V62D58-T60 VanDerWaalsContact OD1-CB 3.3Å; D58-T60 WeakPolarHBondContact OD1-CB 3.33Å; D58-T60 WeakPolarHBondContact OD1-CG2 3.37Å; D58-T60 PolarHBondContact OD1-N 2.93Å; D58-T60 PolarHBondContact OD1-OG1 2.92Å; D58-V62 WeakPolarHBondContact O-CG1 3.09Å
59M92.5Very high92.4Very high27 Ų2771.3 Ų71.313%0.13336%0.359CS..  trans-112.42.2-177.6-62.2-68.8-6500112.9T51 D52 V54 V62 A67T51-M59 HydrophobicContact CG2-CG 4.22Å; T51-M59 WeakPolarHBondContact O-CB 3.46Å; D52-M59 PolarHBondContact O-N 2.88Å; V54-M59 HydrophobicContact CB-CG 4.1Å; V54-M59 HydrophobicContact CB-SD 3.89Å; V54-M59 HydrophobicContact CG2-CE 3.86Å; V54-M59 HydrophobicContact CG2-CG 3.6Å; V54-M59 HydrophobicContact CG2-SD 3.58Å; V54-M59 VanDerWaalsContact CG2-SD 3.58Å; M59-V62 HydrophobicContact CE-CG2 4.22Å; M59-V62 WeakPolarHBondContact O-CG2 3.41Å; M59-V62 HydrophobicContact SD-CG2 4.44Å; M59-A67 HydrophobicContact CE-CB 3.29Å
60T90.4Very high93.2Very high82 Ų8270 Ų7050%0.50335%0.349SS..THydrogen-bonded Turntrans-73.6-30.6-173.663.50000112.8D58D58-T60 VanDerWaalsContact OD1-CB 3.3Å; D58-T60 WeakPolarHBondContact OD1-CB 3.33Å; D58-T60 WeakPolarHBondContact OD1-CG2 3.37Å; D58-T60 PolarHBondContact OD1-N 2.93Å; D58-T60 PolarHBondContact OD1-OG1 2.92Å
61M92.9Very high93.8Very high141 Ų14164 Ų6470%0.69532%0.323SS*.THydrogen-bonded Turntrans-12953-174.7-66.3-64.4-66.100111.6I37I37-M61 HydrophobicContact CG2-CE 4.4Å; I37-M61 HydrophobicContact CG2-SD 4.22Å
62V94.9Very high94.4Very high23 Ų2364.7 Ų64.714%0.13933%0.328CS..  trans-122.5154.7179.3-58.20000111.7G36 I37 D58 M59 Q66 A67G36-V62 CarbonylContact C-O 3.54Å; G36-V62 WeakPolarHBondContact CA-O 3.36Å; I37-V62 PolarHBondContact N-O 3.03Å; D58-V62 WeakPolarHBondContact O-CG1 3.09Å; M59-V62 HydrophobicContact CE-CG2 4.22Å; M59-V62 WeakPolarHBondContact O-CG2 3.41Å; M59-V62 HydrophobicContact SD-CG2 4.44Å; V62-Q66 HydrophobicContact CB-CB 4.03Å; V62-A67 HydrophobicContact CG2-CB 3.97Å
63T96.8Very high94.9Very high37 Ų3767.4 Ų67.423%0.22734%0.337CS..  trans-72.6160.2168.670.60000111.1I37 D38 D65 Q66 A67I37-T63 HydrophobicContact CD1-CG2 4.46Å; I37-T63 HydrophobicContact CG1-CG2 4.14Å; D38-T63 HydrophobicContact CB-CG2 4.13Å; D38-T63 WeakPolarHBondContact OD1-CA 3.39Å; D38-T63 WeakPolarHBondContact OD1-CB 3.38Å; T63-D65 VanDerWaalsContact C-N 3.27Å; T63-D65 PolarHBondContact O-N 3.31Å; T63-Q66 WeakPolarHBondContact O-CB 3.3Å; T63-Q66 PolarHBondContact O-N 2.6Å; T63-Q66 WeakPolarHBondContact OG1-CB 3.33Å; T63-Q66 VanDerWaalsContact OG1-CG 3.26Å; T63-Q66 WeakPolarHBondContact OG1-CG 3.42Å; T63-Q66 PolarHBondContact OG1-N 3.23Å; T63-A67 PolarHBondContact O-N 3.42Å
64H96.1Very high95Very high57 Ų5771.5 Ų71.526%0.26435%0.35SS..Hα-helixtrans-55.3-44.5176-172.386.2000111.8G35 D38 Q39 A67 R68G35-H64 WeakPolarHBondContact O-CB 3.47Å; G35-H64 PolarHBondContact O-ND1 2.89Å; D38-H64 PolarHBondContact OD1-N 2.83Å; Q39-H64 HydrophobicContact CG-CB 3.81Å; H64-A67 WeakPolarHBondContact O-CB 3.3Å; H64-A67 PolarHBondContact O-N 2.93Å; H64-R68 WeakPolarHBondContact O-CB 3.26Å; H64-R68 PolarHBondContact O-N 3.48Å
65D97.5Very high95.1Very high57 Ų5775.9 Ų75.931%0.30538%0.381SS..Hα-helixtrans-69.6-33.8-179.9-173.459000112.6T63 R68 K69T63-D65 VanDerWaalsContact C-N 3.27Å; T63-D65 PolarHBondContact O-N 3.31Å; D65-R68 PolarHBondContact O-N 3.33Å; D65-R68 IonicContact OD1-CZ 3.02Å; D65-R68 VanDerWaalsContact OD1-CZ 3.24Å; D65-R68 IonicContact OD1-NE 2.71Å; D65-R68 PolarHBondContact OD1-NE 3Å; D65-R68 IonicContact OD1-NH2 3.71Å; D65-R68 PolarHBondContact OD1-NH2 3.39Å; D65-K69 WeakPolarHBondContact O-CB 3.49Å; D65-K69 VanDerWaalsContact O-CG 3.3Å; D65-K69 WeakPolarHBondContact O-CG 3.42Å; D65-K69 PolarHBondContact O-N 2.66Å; D65-K69 WeakPolarHBondContact OD2-CD 3Å; D65-K69 WeakPolarHBondContact OD2-CE 3.41Å; D65-K69 IonicContact OD2-NZ 3.66Å; D65-K69 PolarHBondContact OD2-NZ 2.87Å
66Q97.6Very high95.2Very high102 Ų10275.7 Ų75.748%0.47738%0.379SS..Hα-helixtrans-62.3-46.4172-76.9171.4-17.900111.1V62 T63 K69 R70V62-Q66 HydrophobicContact CB-CB 4.03Å; T63-Q66 WeakPolarHBondContact O-CB 3.3Å; T63-Q66 PolarHBondContact O-N 2.6Å; T63-Q66 WeakPolarHBondContact OG1-CB 3.33Å; T63-Q66 VanDerWaalsContact OG1-CG 3.26Å; T63-Q66 WeakPolarHBondContact OG1-CG 3.42Å; T63-Q66 PolarHBondContact OG1-N 3.23Å; Q66-K69 PolarHBondContact O-N 2.95Å; Q66-R70 WeakPolarHBondContact O-CB 3.35Å; Q66-R70 PolarHBondContact O-N 2.9Å
67A96.5Very high95.3Very high9 Ų978 Ų787%0.07437%0.372CS..Hα-helixtrans-58.4-49.7175.600000111.5I33 M59 V62 T63 H64 K69 R70 L71I33-A67 HydrophobicContact CD1-CB 4.01Å; M59-A67 HydrophobicContact CE-CB 3.29Å; V62-A67 HydrophobicContact CG2-CB 3.97Å; T63-A67 PolarHBondContact O-N 3.42Å; H64-A67 WeakPolarHBondContact O-CB 3.3Å; H64-A67 PolarHBondContact O-N 2.93Å; A67-K69 PolarHBondContact O-N 3.45Å; A67-R70 PolarHBondContact O-N 3.2Å; A67-L71 WeakPolarHBondContact O-CG 3.19Å; A67-L71 PolarHBondContact O-N 3.48Å
68R97.2Very high95.5Very high109 Ų10971.4 Ų71.441%0.41135%0.351SS..Hα-helixtrans-56.9-50.3177.1-174-165.368.282.3-2.7111.7I33 H64 D65 R70 L71 T72I33-R68 HydrophobicContact CD1-CB 4.33Å; H64-R68 WeakPolarHBondContact O-CB 3.26Å; H64-R68 PolarHBondContact O-N 3.48Å; D65-R68 PolarHBondContact O-N 3.33Å; D65-R68 IonicContact OD1-CZ 3.02Å; D65-R68 VanDerWaalsContact OD1-CZ 3.24Å; D65-R68 IonicContact OD1-NE 2.71Å; D65-R68 PolarHBondContact OD1-NE 3Å; D65-R68 IonicContact OD1-NH2 3.71Å; D65-R68 PolarHBondContact OD1-NH2 3.39Å; R68-R70 VanDerWaalsContact C-N 3.32Å; R68-R70 PolarHBondContact O-N 2.66Å; R68-L71 PolarHBondContact O-N 2.78Å; R68-T72 HydrophobicContact CG-CG2 4.49Å; R68-T72 WeakPolarHBondContact O-CB 3.42Å; R68-T72 WeakPolarHBondContact O-CG2 3.41Å; R68-T72 PolarHBondContact O-N 3.19Å; R68-T72 PolarHBondContact O-OG1 2.81Å
69K97.2Very high95.7Very high125 Ų12567.7 Ų67.754%0.54333%0.331SS..Hα-helixtrans-59.1-41.9177.9-79.6170.5170.8158.30111.8D65 Q66 A67 T72 K73D65-K69 WeakPolarHBondContact O-CB 3.49Å; D65-K69 VanDerWaalsContact O-CG 3.3Å; D65-K69 WeakPolarHBondContact O-CG 3.42Å; D65-K69 PolarHBondContact O-N 2.66Å; D65-K69 WeakPolarHBondContact OD2-CD 3Å; D65-K69 WeakPolarHBondContact OD2-CE 3.41Å; D65-K69 IonicContact OD2-NZ 3.66Å; D65-K69 PolarHBondContact OD2-NZ 2.87Å; Q66-K69 PolarHBondContact O-N 2.95Å; A67-K69 PolarHBondContact O-N 3.45Å; K69-T72 PolarHBondContact O-N 2.82Å; K69-K73 PolarHBondContact O-N 3.31Å
70R96.8Very high95.9Very high37 Ų3770.8 Ų70.814%0.1434%0.342CS..Hα-helixtrans-63.6-42.5179.1-171.969.2-16990.6-10.2112.1V54 N55 W57 Q66 A67 R68 E76V54-R70 HydrophobicContact CB-CG 4.07Å; V54-R70 HydrophobicContact CG1-CG 3.76Å; N55-R70 PolarHBondContact O-NH2 2.72Å; W57-R70 HydrophobicContact CB-CG 4.36Å; Q66-R70 WeakPolarHBondContact O-CB 3.35Å; Q66-R70 PolarHBondContact O-N 2.9Å; A67-R70 PolarHBondContact O-N 3.2Å; R68-R70 VanDerWaalsContact C-N 3.32Å; R68-R70 PolarHBondContact O-N 2.66Å; R70-E76 IonicContact CZ-OE1 2.82Å; R70-E76 IonicContact CZ-OE2 2.9Å; R70-E76 VanDerWaalsContact NH1-CD 3.33Å; R70-E76 IonicContact NH1-OE1 2.72Å; R70-E76 PolarHBondContact NH1-OE1 3.44Å; R70-E76 IonicContact NH1-OE2 3.24Å; R70-E76 PolarHBondContact NH1-OE2 2.87Å; R70-E76 IonicContact NH2-OE1 3.55Å; R70-E76 IonicContact NH2-OE2 2.66Å
71L96.2Very high96.2Very high8 Ų867.5 Ų67.54%0.04232%0.321CS..Hα-helixtrans-72.4-35179.5-74.7166.4000112.9K20 L29 F31 I33 V54 A67 R68 V79 L81K20-L71 WeakPolarHBondContact CE-O 3.36Å; K20-L71 PolarHBondContact NZ-O 2.68Å; L29-L71 HydrophobicContact CD1-CB 3.78Å; L29-L71 HydrophobicContact CD1-CD2 4.05Å; L29-L71 HydrophobicContact CD1-CG 4.44Å; F31-L71 HydrophobicContact CE2-CD1 4.41Å; F31-L71 HydrophobicContact CZ-CD1 4.49Å; F31-L71 HydrophobicContact CZ-CD2 4.04Å; I33-L71 HydrophobicContact CD1-CD1 3.95Å; I33-L71 HydrophobicContact CG2-CD1 3.7Å; V54-L71 HydrophobicContact CB-CD2 4.49Å; V54-L71 HydrophobicContact CG1-CD2 3.82Å; V54-L71 HydrophobicContact CG1-CG 4.36Å; V54-L71 HydrophobicContact CG2-CD2 3.73Å; V54-L71 HydrophobicContact CG2-CG 4.24Å; A67-L71 WeakPolarHBondContact O-CG 3.19Å; A67-L71 PolarHBondContact O-N 3.48Å; R68-L71 PolarHBondContact O-N 2.78Å; L71-V79 HydrophobicContact CD2-CG1 3.88Å; L71-L81 HydrophobicContact CD2-CD2 3.87Å
72T96Very high96.3Very high66 Ų6663.5 Ų63.541%0.40530%0.302SS..THydrogen-bonded Turntrans-96.410.3-173.357.30000114.4R68 K69 R74R68-T72 HydrophobicContact CG-CG2 4.49Å; R68-T72 WeakPolarHBondContact O-CB 3.42Å; R68-T72 WeakPolarHBondContact O-CG2 3.41Å; R68-T72 PolarHBondContact O-N 3.19Å; R68-T72 PolarHBondContact O-OG1 2.81Å; K69-T72 PolarHBondContact O-N 2.82Å; T72-R74 PolarHBondContact O-N 3.33Å; T72-R74 VanDerWaalsContact O-N 3.15Å
73K95.9Very high96.2Very high98 Ų9863.1 Ų63.143%0.42630%0.299SS..  trans-57.3120.4179.2-165.7175.6172.9-1630111.4K20 K69 S75 E76K20-K73 PolarHBondContact NZ-O 2.91Å; K69-K73 PolarHBondContact O-N 3.31Å; K73-S75 VanDerWaalsContact C-N 3.29Å; K73-S75 WeakPolarHBondContact CE-OG 3.5Å; K73-S75 PolarHBondContact O-N 3.18Å; K73-E76 HydrophobicContact CD-CG 4.19Å; K73-E76 WeakPolarHBondContact CD-OE1 3.42Å; K73-E76 IonicContact NZ-OE1 3.27Å; K73-E76 PolarHBondContact NZ-OE1 3.43Å; K73-E76 PolarHBondContact O-N 2.79Å
74R93.9Very high95.8Very high174 Ų17462.5 Ų62.566%0.65730%0.296SS*.THydrogen-bonded Turntrans-66.1-27.8-172.9-71.7-176.1173.6-176.6-6.2113.9L27 T72 E76L27-R74 WeakPolarHBondContact CD1-O 3.38Å; T72-R74 PolarHBondContact O-N 3.33Å; T72-R74 VanDerWaalsContact O-N 3.15Å; R74-E76 PolarHBondContact O-N 3.05Å
75S95.2Very high95.4Very high92 Ų9263.9 Ų63.964%0.64330%0.299SS*.THydrogen-bonded Turntrans-77.3-6.8178.168.10000113.7K73K73-S75 VanDerWaalsContact C-N 3.29Å; K73-S75 WeakPolarHBondContact CE-OG 3.5Å; K73-S75 PolarHBondContact O-N 3.18Å
76E95.5Very high94.7Very high35 Ų3565.3 Ų65.316%0.16430%0.304CS..  trans-115.197.6-177.1-67.4179.7-162.500108.8K20 N55 R70 K73 R74 V78K20-E76 WeakPolarHBondContact CD-O 3.34Å; K20-E76 WeakPolarHBondContact CE-O 3.47Å; K20-E76 PolarHBondContact NZ-O 3.12Å; N55-E76 PolarHBondContact ND2-OE2 2.93Å; R70-E76 IonicContact CZ-OE1 2.82Å; R70-E76 IonicContact CZ-OE2 2.9Å; R70-E76 VanDerWaalsContact NH1-CD 3.33Å; R70-E76 IonicContact NH1-OE1 2.72Å; R70-E76 PolarHBondContact NH1-OE1 3.44Å; R70-E76 IonicContact NH1-OE2 3.24Å; R70-E76 PolarHBondContact NH1-OE2 2.87Å; R70-E76 IonicContact NH2-OE1 3.55Å; R70-E76 IonicContact NH2-OE2 2.66Å; K73-E76 HydrophobicContact CD-CG 4.19Å; K73-E76 WeakPolarHBondContact CD-OE1 3.42Å; K73-E76 IonicContact NZ-OE1 3.27Å; K73-E76 PolarHBondContact NZ-OE1 3.43Å; K73-E76 PolarHBondContact O-N 2.79Å; R74-E76 PolarHBondContact O-N 3.05Å; E76-V78 VanDerWaalsContact C-N 3.27Å
77E96.4Very high94.2Very high111 Ų11164.1 Ų64.152%0.51931%0.307SS..SBendtrans-73.2-22.2175.3-61-161.9150.800112.3K20 R22 L27K20-E77 WeakPolarHBondContact CB-O 3.48Å; K20-E77 WeakPolarHBondContact CG-O 3.35Å; K20-E77 PolarHBondContact N-O 3.18Å; R22-E77 IonicContact NH2-OE1 3.64Å; R22-E77 PolarHBondContact NH2-OE1 3.29Å; L27-E77 HydrophobicContact CD1-CG 3.94Å
78V97.1Very high93.7Very high32 Ų3266.1 Ų66.119%0.19432%0.315CS..EExtended strand (participates in β ladder)trans-115.4132.4178.3-1780000110.5E17 I18 N55 E76 R80E17-V78 HydrophobicContact CG-CG1 3.57Å; I18-V78 WeakPolarHBondContact O-CA 3.14Å; N55-V78 PolarHBondContact ND2-O 3Å; N55-V78 VanDerWaalsContact ND2-O 3.09Å; E76-V78 VanDerWaalsContact C-N 3.27Å; V78-R80 HydrophobicContact CG1-CG 4.37Å
79V97.2Very high93.1Very high0 Ų064.5 Ų64.50%031%0.313CS..EExtended strand (participates in β ladder)trans-118.3123.3174.7169.10000109.4I18 K20 L29 V54 L71 L81I18-V79 PolarHBondContact N-O 3.48Å; I18-V79 PolarHBondContact O-N 3.4Å; K20-V79 VanDerWaalsContact CE-CG2 3.44Å; L29-V79 HydrophobicContact CD2-CB 3.93Å; L29-V79 HydrophobicContact CD2-CG1 4.45Å; L29-V79 HydrophobicContact CD2-CG2 3.94Å; V54-V79 HydrophobicContact CG1-CG1 4.06Å; L71-V79 HydrophobicContact CD2-CG1 3.88Å; V79-L81 HydrophobicContact CG1-CD2 3.47Å; V79-L81 VanDerWaalsContact CG1-CD2 3.47Å; V79-L81 HydrophobicContact CG1-CG 4.04Å
80R97.4Very high92.5Very high92 Ų9264.1 Ų64.135%0.34731%0.311SS..EExtended strand (participates in β ladder)trans-105.8114.3176.2-62.4-179.7174.287.111109.3V16 E17 N55 V78V16-R80 CarbonylContact O-C 3.59Å; V16-R80 WeakPolarHBondContact O-CA 3.4Å; E17-R80 HydrophobicContact CB-CG 4.45Å; E17-R80 VanDerWaalsContact CD-NH2 3.32Å; E17-R80 HydrophobicContact CG-CG 4.1Å; E17-R80 IonicContact OE1-CZ 3.59Å; E17-R80 IonicContact OE1-NE 3.71Å; E17-R80 IonicContact OE1-NH2 2.81Å; E17-R80 PolarHBondContact OE1-NH2 3.3Å; E17-R80 IonicContact OE2-CZ 3.39Å; E17-R80 IonicContact OE2-NE 2.72Å; E17-R80 PolarHBondContact OE2-NE 3.35Å; E17-R80 IonicContact OE2-NH2 3.26Å; E17-R80 PolarHBondContact OE2-NH2 3Å; N55-R80 PolarHBondContact N-O 3.01Å; N55-R80 WeakPolarHBondContact OD1-CB 3.13Å; N55-R80 PolarHBondContact OD1-N 3.46Å; V78-R80 HydrophobicContact CG1-CG 4.37Å
81L96.1Very high92Very high12 Ų1264.7 Ų64.76%0.06332%0.324CS..EExtended strand (participates in β ladder)trans-98.5140.8178.4-51.3178.6000109.6R15 V16 I18 F31 T51 K53 V54 L71 V79 V83R15-L81 CarbonylContact C-O 3.55Å; R15-L81 WeakPolarHBondContact CA-O 3.42Å; V16-L81 HydrophobicContact CB-CB 4.34Å; V16-L81 PolarHBondContact N-O 3.03Å; V16-L81 PolarHBondContact O-N 3.03Å; I18-L81 HydrophobicContact CD1-CD1 3.74Å; I18-L81 HydrophobicContact CD1-CG 4.44Å; F31-L81 HydrophobicContact CE1-CD1 4.36Å; F31-L81 HydrophobicContact CZ-CD1 4.06Å; T51-L81 HydrophobicContact CG2-CD2 4.23Å; K53-L81 WeakPolarHBondContact O-CA 3.15Å; V54-L81 HydrophobicContact CB-CD2 4.39Å; V54-L81 HydrophobicContact CG1-CD2 4.41Å; V54-L81 HydrophobicContact CG2-CD2 3.62Å; L71-L81 HydrophobicContact CD2-CD2 3.87Å; V79-L81 HydrophobicContact CG1-CD2 3.47Å; V79-L81 VanDerWaalsContact CG1-CD2 3.47Å; V79-L81 HydrophobicContact CG1-CG 4.04Å; L81-V83 HydrophobicContact CB-CG1 3.87Å; L81-V83 HydrophobicContact CD1-CG1 4.47Å
82L94.3Very high91.5Very high58 Ų5867.2 Ų67.230%0.30434%0.339SS..EExtended strand (participates in β ladder)trans-104.4119.6155-83.7161.6000106.9V13 Q14 R15 D52 K53V13-L82 HydrophobicContact CB-CD2 4.06Å; V13-L82 HydrophobicContact CG2-CD2 3.82Å; Q14-L82 WeakPolarHBondContact O-CA 3.42Å; R15-L82 HydrophobicContact CB-CD2 4.33Å; D52-L82 PolarHBondContact N-O 3.27Å; K53-L82 HydrophobicContact CB-CB 4.14Å; K53-L82 HydrophobicContact CB-CD1 4.18Å; K53-L82 HydrophobicContact CD-CD1 4Å; K53-L82 HydrophobicContact CG-CD1 4.31Å; K53-L82 PolarHBondContact N-O 3.22Å; K53-L82 PolarHBondContact O-N 3.37Å
83V92.5Very high90.9Very high14 Ų1469.8 Ų69.89%0.08535%0.347CS..EExtended strand (participates in β ladder)trans-125131.6-177.4-58.50000111V13 Q14 V16 K50 T51 L81 R85V13-V83 CarbonylContact C-O 3.47Å; V13-V83 WeakPolarHBondContact CA-O 3.45Å; Q14-V83 HydrophobicContact CB-CG2 3.88Å; Q14-V83 PolarHBondContact N-O 3.11Å; Q14-V83 PolarHBondContact O-N 3.19Å; V16-V83 HydrophobicContact CG2-CG2 4.05Å; K50-V83 CarbonylContact O-C 3.59Å; K50-V83 WeakPolarHBondContact O-CA 3.44Å; T51-V83 HydrophobicContact CG2-CG1 4.39Å; L81-V83 HydrophobicContact CB-CG1 3.87Å; L81-V83 HydrophobicContact CD1-CG1 4.47Å; V83-R85 HydrophobicContact CG2-CG 4.09Å
84T89.8Confident90.5Very high24 Ų2471.8 Ų71.815%0.14736%0.357CS..EExtended strand (participates in β ladder)trans-86.3131.1167.3-640000108.8A11 D49 K50 D52A11-T84 HydrophobicContact CB-CG2 4.02Å; D49-T84 WeakPolarHBondContact CA-O 3.45Å; K50-T84 PolarHBondContact N-O 2.96Å; K50-T84 PolarHBondContact O-N 3.38Å; D52-T84 PolarHBondContact OD2-N 2.82Å; D52-T84 PolarHBondContact OD2-OG1 2.85Å
85R86.8Confident90.2Very high87 Ų8766.8 Ų66.833%0.32835%0.349SS..EExtended strand (participates in β ladder)trans-129.1129.8178.2-48.4-174.2104166.97.1110D49 V83 S87 L88 Q89D49-R85 WeakPolarHBondContact OD1-CA 3.41Å; D49-R85 VanDerWaalsContact OD1-CB 3.3Å; D49-R85 WeakPolarHBondContact OD1-CB 3.3Å; D49-R85 WeakPolarHBondContact OD1-CG 3.48Å; D49-R85 IonicContact OD1-NE 3.82Å; D49-R85 IonicContact OD2-CZ 3.19Å; D49-R85 VanDerWaalsContact OD2-CZ 3.27Å; D49-R85 IonicContact OD2-NE 3.03Å; D49-R85 PolarHBondContact OD2-NE 3.35Å; D49-R85 IonicContact OD2-NH2 2.85Å; D49-R85 PolarHBondContact OD2-NH2 3.19Å; V83-R85 HydrophobicContact CG2-CG 4.09Å; R85-S87 PolarHBondContact O-N 3.21Å; R85-L88 HydrophobicContact CB-CB 4.32Å; R85-L88 HydrophobicContact CB-CD1 3.92Å; R85-L88 HydrophobicContact CB-CG 4.04Å; R85-L88 HydrophobicContact CG-CD1 3.97Å; R85-L88 PolarHBondContact O-N 3.17Å; R85-L88 VanDerWaalsContact O-N 3.11Å; R85-Q89 PolarHBondContact O-N 3.38Å
86Q83.6Confident89.5Confident87 Ų8769.8 Ų69.841%0.40736%0.355SS..Hα-helixtrans-62.4-33.6-177.5-161.3-176.427.600112.4Q89 K90Q86-Q89 PolarHBondContact O-N 3.14Å; Q86-K90 WeakPolarHBondContact O-CG 3.47Å; Q86-K90 PolarHBondContact O-N 3.1Å; Q86-K90 VanDerWaalsContact O-N 3.14Å
87S86.3Confident88.7Confident77 Ų7775.2 Ų75.254%0.53838%0.384SS..Hα-helixtrans-61.9-40.5175.554.90000112.5R85 K90 A91R85-S87 PolarHBondContact O-N 3.21Å; S87-K90 PolarHBondContact O-N 3.46Å; S87-A91 PolarHBondContact O-N 3.45Å
88L86.4Confident87.1Confident50 Ų5076.9 Ų76.926%0.26241%0.408SS..Hα-helixtrans-68.8-37.1177.9-69.1174.6000112.2V12 Q14 R85 K90 A91 V92V12-L88 HydrophobicContact CB-CB 4.4Å; V12-L88 HydrophobicContact CG1-CB 3.86Å; Q14-L88 HydrophobicContact CB-CD1 3.57Å; Q14-L88 HydrophobicContact CG-CD1 4.29Å; R85-L88 HydrophobicContact CB-CB 4.32Å; R85-L88 HydrophobicContact CB-CD1 3.92Å; R85-L88 HydrophobicContact CB-CG 4.04Å; R85-L88 HydrophobicContact CG-CD1 3.97Å; R85-L88 PolarHBondContact O-N 3.17Å; R85-L88 VanDerWaalsContact O-N 3.11Å; L88-K90 VanDerWaalsContact C-N 3.34Å; L88-A91 PolarHBondContact O-N 3.16Å; L88-V92 WeakPolarHBondContact O-CG2 3.36Å; L88-V92 PolarHBondContact O-N 2.97Å
89Q84Confident86.6Confident76 Ų7679.2 Ų79.236%0.35542%0.419SS..Hα-helixtrans-62.1-44.1175.1-167.6172.715.500111.4R85 Q86 V92 Q93R85-Q89 PolarHBondContact O-N 3.38Å; Q86-Q89 PolarHBondContact O-N 3.14Å; Q89-V92 PolarHBondContact O-N 3.31Å; Q89-Q93 WeakPolarHBondContact O-CB 3.37Å; Q89-Q93 PolarHBondContact O-N 3.3Å
90K85.7Confident86.1Confident117 Ų11783.3 Ų83.351%0.50944%0.441SS..Hα-helixtrans-61.6-43.7174.7-70.1174.6-178172.50111.7Q86 S87 L88 Q93 Q94Q86-K90 WeakPolarHBondContact O-CG 3.47Å; Q86-K90 PolarHBondContact O-N 3.1Å; Q86-K90 VanDerWaalsContact O-N 3.14Å; S87-K90 PolarHBondContact O-N 3.46Å; L88-K90 VanDerWaalsContact C-N 3.34Å; K90-Q93 PolarHBondContact O-N 2.9Å; K90-Q94 WeakPolarHBondContact O-CG 3.5Å; K90-Q94 PolarHBondContact O-N 3.25Å
91A86.6Confident85.4Confident49 Ų4982.8 Ų82.841%0.40545%0.446SS..Hα-helixtrans-61.7-44.1179.800000112.5S87 L88 Q94 S95S87-A91 PolarHBondContact O-N 3.45Å; L88-A91 PolarHBondContact O-N 3.16Å; A91-Q94 PolarHBondContact O-N 3.28Å; A91-S95 PolarHBondContact O-N 3.16Å
92V85.3Confident84.8Confident61 Ų6187 Ų8737%0.3747%0.469SS..Hα-helixtrans-67.6-38.8176.9173.30000111.6V12 L88 Q89 Q94 S95 M96V12-V92 HydrophobicContact CB-CG2 4.41Å; V12-V92 HydrophobicContact CG1-CG2 3.81Å; V12-V92 HydrophobicContact CG2-CB 3.85Å; V12-V92 HydrophobicContact CG2-CG1 4.14Å; V12-V92 HydrophobicContact CG2-CG2 3.74Å; L88-V92 WeakPolarHBondContact O-CG2 3.36Å; L88-V92 PolarHBondContact O-N 2.97Å; Q89-V92 PolarHBondContact O-N 3.31Å; V92-Q94 VanDerWaalsContact C-N 3.29Å; V92-Q94 PolarHBondContact O-N 3.14Å; V92-S95 WeakPolarHBondContact CA-OG 3.17Å; V92-S95 PolarHBondContact O-N 3.26Å; V92-S95 PolarHBondContact O-OG 2.95Å; V92-M96 HydrophobicContact CG1-CG 4.4Å; V92-M96 WeakPolarHBondContact O-CG 3.27Å; V92-M96 PolarHBondContact O-N 3.41Å; V92-M96 VanDerWaalsContact O-N 3.12Å
93Q83.4Confident84.2Confident120 Ų12088.8 Ų88.856%0.56148%0.479SS*.Hα-helixtrans-63.1-39176.6-169.41756.100111.5Q89 K90 M96 L97Q89-Q93 WeakPolarHBondContact O-CB 3.37Å; Q89-Q93 PolarHBondContact O-N 3.3Å; K90-Q93 PolarHBondContact O-N 2.9Å; Q93-M96 PolarHBondContact O-N 3.07Å; Q93-L97 WeakPolarHBondContact O-CG 3.29Å
94Q86.4Confident83.7Confident139 Ų13993.8 Ų93.865%0.6551%0.506SS*.Hα-helixtrans-66-42.2174.7-74174.2-14.400112.1K90 A91 V92 M96 L97 S98K90-Q94 WeakPolarHBondContact O-CG 3.5Å; K90-Q94 PolarHBondContact O-N 3.25Å; A91-Q94 PolarHBondContact O-N 3.28Å; V92-Q94 VanDerWaalsContact C-N 3.29Å; V92-Q94 PolarHBondContact O-N 3.14Å; Q94-M96 PolarHBondContact O-N 3.26Å; Q94-L97 PolarHBondContact O-N 3.07Å; Q94-L97 VanDerWaalsContact O-N 3.16Å; Q94-S98 PolarHBondContact O-N 2.71Å
95S88Confident83.2Confident69 Ų6998.8 Ų98.848%0.48353%0.531SS..Hα-helixtrans-67.9-20.1178.666.30000114A91 V92 S98A91-S95 PolarHBondContact O-N 3.16Å; V92-S95 WeakPolarHBondContact CA-OG 3.17Å; V92-S95 PolarHBondContact O-N 3.26Å; V92-S95 PolarHBondContact O-OG 2.95Å; S95-S98 PolarHBondContact O-OG 2.86Å; S95-S98 VanDerWaalsContact O-OG 3.05Å
96M81.8Confident83Confident155 Ų15599.7 Ų99.776%0.76455%0.547SS*.THydrogen-bonded Turntrans-83.8-14.9176.3-66.4-90.8-79.700112.6V92 Q93 Q94V92-M96 HydrophobicContact CG1-CG 4.4Å; V92-M96 WeakPolarHBondContact O-CG 3.27Å; V92-M96 PolarHBondContact O-N 3.41Å; V92-M96 VanDerWaalsContact O-N 3.12Å; Q93-M96 PolarHBondContact O-N 3.07Å; Q94-M96 PolarHBondContact O-N 3.26Å
97L77.7Confident82.9Confident149 Ų149100.8 Ų100.878%0.7856%0.559SS**THydrogen-bonded Turntrans-98.3-8.2179.4-69.3167.1000112.9Q93 Q94Q93-L97 WeakPolarHBondContact O-CG 3.29Å; Q94-L97 PolarHBondContact O-N 3.07Å; Q94-L97 VanDerWaalsContact O-N 3.16Å
98S63.2Low82.6Confident147 Ų147102.9 Ų102.9100%1.02856%0.56SS**  trans-94.40174620000111.5Q94 S95Q94-S98 PolarHBondContact O-N 2.71Å; S95-S98 PolarHBondContact O-OG 2.86Å; S95-S98 VanDerWaalsContact O-OG 3.05Å

Retrieved 98 of 98 residues in 26 ms (Link to these results)