A0A087X282_HUMAN Loading...

Tax1 binding protein 3

AlphaFold DB (Q4QQV1), UniProt , Accession A0A087X282, Species HUMAN (Homo sapiens, Human), 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 184.4 ms (Link to these results)