A0A077Z1N4_TRITR Loading...

COX assembly mitochondrial protein

AlphaFold DB , UniProt , Accession A0A077Z1N4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 141 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
1M46Very low45.5Very low240 Ų240158.3 Ų158.3100%1.18285%0.847SS**  0108.10-63.9179-168.200107.2
2M45Very low45.2Very low191 Ų191159.8 Ų159.894%0.94185%0.845SS**  trans-171.5119.2159.4-99.4152.9-177.700105.5
3D44Very low45.5Very low157 Ų157157.4 Ų157.484%0.8484%0.84SS**  trans-63.5125.5-170.6-66.6-71.1000113.1S5D3-S5 PolarHBondContact O-N 3.23Å
4A46.8Very low45.2Very low107 Ų107157.6 Ų157.688%0.88483%0.834SS**  trans-77.179.5162.300000108.4S6A4-S6 PolarHBondContact O-N 3.45Å
5S49.8Very low45.4Very low106 Ų106160 Ų16074%0.74183%0.834SS**  trans-58.2118.3166.1-87.20000110.4D3D3-S5 PolarHBondContact O-N 3.23Å
6S50Low45.5Very low92 Ų92157.3 Ų157.364%0.64383%0.826SS**  62.967.5128.8-174.70000117.1A4 K8A4-S6 PolarHBondContact O-N 3.45Å; S6-K8 PolarHBondContact O-N 3.24Å; S6-K8 VanDerWaalsContact O-N 3.15Å
7E43.9Very low45.8Very low192 Ų192156 Ų15690%0.89783%0.826SS**  trans-80.769.6144.9-76.9176.1115.700109.2S9E7-S9 PolarHBondContact O-N 3.38Å
8K44.2Very low46.4Very low189 Ų189153.6 Ų153.682%0.82281%0.813SS**  trans-66.593.5158.3-100.5178.9178.4175.70106.6S6 R10S6-K8 PolarHBondContact O-N 3.24Å; S6-K8 VanDerWaalsContact O-N 3.15Å; K8-R10 PolarHBondContact O-N 3.44Å
9S43.6Very low47.3Very low102 Ų102149.7 Ų149.771%0.71380%0.798SS**  trans-49.4112.7176.2-42.80000109.1E7 V11E7-S9 PolarHBondContact O-N 3.38Å; S9-V11 PolarHBondContact O-N 3.5Å
10R43.1Very low48.1Very low243 Ų243147 Ų14792%0.91780%0.797SS**  trans-61.688.5162.7-77.216682.1151.2-0.1106.3K8 H12K8-R10 PolarHBondContact O-N 3.44Å; R10-H12 VanDerWaalsContact C-N 3.32Å; R10-H12 PolarHBondContact O-N 2.97Å
11V43.9Very low48.9Very low122 Ų122144 Ų14474%0.73979%0.787SS**  trans-61.9104.8165.5179.90000105.4S9 V13S9-V11 PolarHBondContact O-N 3.5Å; V11-V13 PolarHBondContact O-N 2.94Å
12H42.4Very low49.9Very low176 Ų176134.7 Ų134.782%0.81574%0.742SS**  trans-54.5112168-132.127.1000105.5R10 E14R10-H12 VanDerWaalsContact C-N 3.32Å; R10-H12 PolarHBondContact O-N 2.97Å; H12-E14 PolarHBondContact O-N 3.45Å
13V48.4Very low51.4Low129 Ų129130.9 Ų130.978%0.78273%0.725SS**  trans-71.678.3168.5-1790000105.3V11 K15V11-V13 PolarHBondContact O-N 2.94Å; V13-K15 PolarHBondContact O-N 3.35Å; V13-K15 VanDerWaalsContact O-N 3.14Å
14E41.5Very low53.5Low161 Ų161126.7 Ų126.775%0.75270%0.703SS**  trans-52.4120.1162.4-174.3162.1165.200105.4H12 T16H12-E14 PolarHBondContact O-N 3.45Å; E14-T16 PolarHBondContact O-N 2.9Å; E14-T16 PolarHBondContact O-OG1 3.49Å
15K48.8Very low55.5Low193 Ų193123.3 Ų123.384%0.83967%0.672SS**  trans-60.886.9179.4-71.1172.7-178.1170.30106.4V13 V17V13-K15 PolarHBondContact O-N 3.35Å; V13-K15 VanDerWaalsContact O-N 3.14Å; K15-V17 PolarHBondContact O-N 3.23Å
16T47.2Very low57.4Low116 Ų116124.3 Ų124.371%0.71267%0.669SS**  trans-59.1110.5-179.2-16.30000104.2E14 L18E14-T16 PolarHBondContact O-N 2.9Å; E14-T16 PolarHBondContact O-OG1 3.49Å; T16-L18 PolarHBondContact O-N 3.43Å
17V49.4Very low59.3Low136 Ų136121.6 Ų121.682%0.82465%0.647SS**  trans-61.497.3169.9178.60000103.8K15K15-V17 PolarHBondContact O-N 3.23Å
18L58.3Low61.5Low112 Ų112118.6 Ų118.659%0.58664%0.637SS**  trans-50.5131.4178.1-74.7171.9000106.8T16 A20 L22T16-L18 PolarHBondContact O-N 3.43Å; L18-A20 PolarHBondContact O-N 3.1Å; L18-L22 HydrophobicContact CB-CD1 4.01Å; L18-L22 HydrophobicContact CD2-CD1 3.8Å; L18-L22 HydrophobicContact CG-CD1 4.38Å
19P62.8Low63.9Low81 Ų81112.9 Ų112.953%0.52662%0.621SS.*  trans-49.4134-178.56.6-18.6000109.3S21 L22P19-S21 PolarHBondContact O-N 3.04Å; P19-L22 HydrophobicContact CG-CD1 4.04Å; P19-L22 HydrophobicContact CG-CG 4.14Å; P19-L22 WeakPolarHBondContact O-CB 3.3Å; P19-L22 PolarHBondContact O-N 3.31Å
20A62.6Low66.3Low95 Ų95110 Ų11079%0.78560%0.597SS**G310 helixtrans-52.5-26.4-173.300000112.9L18 L22 N23L18-A20 PolarHBondContact O-N 3.1Å; A20-L22 PolarHBondContact O-N 2.93Å; A20-N23 PolarHBondContact O-N 3.5Å
21S65.6Low68.7Low83 Ų83102.8 Ų102.858%0.5857%0.57SS**G310 helixtrans-57.5-26.8173.960.90000114.3P19 N23 D24P19-S21 PolarHBondContact O-N 3.04Å; S21-N23 PolarHBondContact O-N 3.37Å; S21-D24 PolarHBondContact O-N 2.8Å
22L67.2Low71.1Confident46 Ų46103.9 Ų103.924%0.24157%0.566CS.*G310 helixtrans-71.6-15.3-179.5-67.4-174.4000113.6L18 P19 A20 R31L18-L22 HydrophobicContact CB-CD1 4.01Å; L18-L22 HydrophobicContact CD2-CD1 3.8Å; L18-L22 HydrophobicContact CG-CD1 4.38Å; P19-L22 HydrophobicContact CG-CD1 4.04Å; P19-L22 HydrophobicContact CG-CG 4.14Å; P19-L22 WeakPolarHBondContact O-CB 3.3Å; P19-L22 PolarHBondContact O-N 3.31Å; A20-L22 PolarHBondContact O-N 2.93Å; L22-R31 PolarHBondContact O-NH2 3.3Å
23N76.3Confident73.6Confident111 Ų11199.9 Ų99.959%0.59455%0.554SS**G310 helixtrans-109.212.9178.9-82.6-13.4000113.4A20 S21 P25A20-N23 PolarHBondContact O-N 3.5Å; S21-N23 PolarHBondContact O-N 3.37Å; N23-P25 VanDerWaalsContact O-CD 3.24Å; N23-P25 WeakPolarHBondContact O-CD 3.38Å
24D87.7Confident75.9Confident68 Ų6894.4 Ų94.436%0.36452%0.52SS..  trans-60.3120.6174.7-172.5-9.7000110.3S21 N26 D27 R110S21-D24 PolarHBondContact O-N 2.8Å; D24-N26 PolarHBondContact O-N 3.47Å; D24-N26 PolarHBondContact OD1-N 2.8Å; D24-D27 HydrophobicContact CB-CB 4.06Å; D24-D27 PolarHBondContact O-N 2.99Å; D24-R110 WeakPolarHBondContact O-CD 3.31Å; D24-R110 PolarHBondContact O-NH1 2.04Å
25P89.1Confident78.4Confident37 Ų3793.8 Ų93.824%0.2451%0.511CS..THydrogen-bonded Turntrans-63.1-22.1175.5-22.134.7000114.1N23 S107 R110 R111N23-P25 VanDerWaalsContact O-CD 3.24Å; N23-P25 WeakPolarHBondContact O-CD 3.38Å; P25-S107 WeakPolarHBondContact O-CB 3.42Å; P25-S107 PolarHBondContact O-OG 2.91Å; P25-R110 HydrophobicContact CB-CB 4.21Å; P25-R110 HydrophobicContact CG-CB 4.13Å; P25-R111 HydrophobicContact CB-CB 4.29Å; P25-R111 HydrophobicContact CG-CB 4.38Å
26N89Confident80.7Confident127 Ų12788.4 Ų88.468%0.67949%0.491SS*.THydrogen-bonded Turntrans-97.5-1.3-177.1-54.9-59.6000113.4D24 L28D24-N26 PolarHBondContact O-N 3.47Å; D24-N26 PolarHBondContact OD1-N 2.8Å; N26-L28 PolarHBondContact O-N 2.78Å
27D90.5Very high83Confident34 Ų3486.2 Ų86.218%0.18248%0.478CS..  trans-65.5123.9175159.542.2000109.7D24 S29 R106 R110D24-D27 HydrophobicContact CB-CB 4.06Å; D24-D27 PolarHBondContact O-N 2.99Å; D27-S29 VanDerWaalsContact OD1-CB 3.22Å; D27-S29 WeakPolarHBondContact OD1-CB 3.17Å; D27-S29 PolarHBondContact OD1-N 3.33Å; D27-S29 PolarHBondContact OD1-OG 2.82Å; D27-R106 PolarHBondContact O-NH2 2.9Å; D27-R106 IonicContact OD2-NH2 2.84Å; D27-R110 IonicContact OD2-CZ 3.99Å; D27-R110 IonicContact OD2-NH1 3.42Å; D27-R110 PolarHBondContact OD2-NH1 2.88Å; D27-R110 IonicContact OD2-NH2 3.18Å
28L90.9Very high85.3Confident129 Ų12981.8 Ų81.868%0.67545%0.451SS*.  trans-104.60.2179-61178.8000112.6N26 L103N26-L28 PolarHBondContact O-N 2.78Å; L28-L103 HydrophobicContact CD2-CD1 4.31Å
29S93.4Very high87.1Confident70 Ų7076.8 Ų76.849%0.4942%0.424SS..PPolyproline II helixtrans-69.6143.5178.572.40000110.9D27 R106D27-S29 VanDerWaalsContact OD1-CB 3.22Å; D27-S29 WeakPolarHBondContact OD1-CB 3.17Å; D27-S29 PolarHBondContact OD1-N 3.33Å; D27-S29 PolarHBondContact OD1-OG 2.82Å; S29-R106 VanDerWaalsContact O-CZ 3.3Å; S29-R106 PolarHBondContact O-NH1 3.39Å; S29-R106 PolarHBondContact O-NH2 3.44Å
30L94.1Very high88.7Confident40 Ų4073.8 Ų73.821%0.20941%0.405CS..PPolyproline II helixtrans-100.3119.8174.7-66.6174.9000110.2E34 R35 I39 T99 Y102 L103L30-E34 WeakPolarHBondContact CA-OE2 3.44Å; L30-E34 HydrophobicContact CD2-CB 4.24Å; L30-R35 HydrophobicContact CB-CB 4.36Å; L30-R35 PolarHBondContact O-NH2 3.29Å; L30-I39 HydrophobicContact CD1-CD1 3.48Å; L30-I39 VanDerWaalsContact CD1-CD1 3.48Å; L30-I39 HydrophobicContact CD2-CD1 3.61Å; L30-I39 HydrophobicContact CG-CD1 4.16Å; L30-T99 HydrophobicContact CD1-CG2 3.89Å; L30-T99 HydrophobicContact CD2-CG2 4.5Å; L30-Y102 HydrophobicContact CD2-CD1 4.1Å; L30-Y102 HydrophobicContact CD2-CE1 4.09Å; L30-L103 HydrophobicContact CD2-CD2 3.87Å; L30-L103 HydrophobicContact CD2-CG 4.43Å
31R93.1Very high90.2Very high92 Ų9272 Ų7235%0.34738%0.383SS..PPolyproline II helixtrans-66.5158.9169.8-56.7172.4-172-117-0.3109.6L22 V33 E34 R35L22-R31 PolarHBondContact O-NH2 3.3Å; R31-V33 VanDerWaalsContact C-N 3.32Å; R31-V33 PolarHBondContact O-N 3.21Å; R31-E34 HydrophobicContact CB-CB 4.43Å; R31-E34 HydrophobicContact CB-CG 3.94Å; R31-E34 WeakPolarHBondContact CB-OE2 3.03Å; R31-E34 HydrophobicContact CG-CG 4.46Å; R31-E34 WeakPolarHBondContact CG-OE2 3.41Å; R31-E34 PolarHBondContact N-OE2 3.22Å; R31-E34 IonicContact NE-OE1 3.84Å; R31-E34 WeakPolarHBondContact O-CB 3.46Å; R31-E34 PolarHBondContact O-N 3.37Å; R31-R35 PolarHBondContact O-N 2.64Å
32H94.9Very high91.6Very high145 Ų14570.4 Ų70.467%0.67136%0.364SS*.Hα-helixtrans-50.8-49.6178.2-175.753.3000112.6E34 R35 D36H32-E34 VanDerWaalsContact C-N 3.29Å; H32-E34 PolarHBondContact O-N 2.79Å; H32-R35 PolarHBondContact O-N 2.05Å; H32-D36 IonicContact CE1-OD2 3.91Å; H32-D36 PolarHBondContact CE1-OD2 3.35Å; H32-D36 IonicContact CG-OD2 2.92Å; H32-D36 IonicContact ND1-OD2 2.7Å; H32-D36 PolarHBondContact ND1-OD2 3.03Å; H32-D36 IonicContact NE2-OD2 3.93Å; H32-D36 WeakPolarHBondContact O-CB 3.08Å; H32-D36 PolarHBondContact O-N 3.04Å
33V95.9Very high93Very high92 Ų9268.3 Ų68.356%0.55835%0.353SS*.Hα-helixtrans-63.3-35.3178.1-179.20000112.2R31 V37 V38R31-V33 VanDerWaalsContact C-N 3.32Å; R31-V33 PolarHBondContact O-N 3.21Å; V33-V37 HydrophobicContact CG1-CB 4.39Å; V33-V37 WeakPolarHBondContact O-CA 3.46Å; V33-V37 WeakPolarHBondContact O-CB 3.34Å; V33-V37 PolarHBondContact O-N 3.05Å; V33-V38 HydrophobicContact CG1-CG2 4.36Å; V33-V38 PolarHBondContact O-N 2.96Å
34E95.1Very high93.8Very high14 Ų1469.5 Ų69.57%0.06535%0.349CS..Iπ-helixtrans-70.8-44-178.6-59172156.200110.8L30 R31 H32 V38 I39 Y102 R106L30-E34 WeakPolarHBondContact CA-OE2 3.44Å; L30-E34 HydrophobicContact CD2-CB 4.24Å; R31-E34 HydrophobicContact CB-CB 4.43Å; R31-E34 HydrophobicContact CB-CG 3.94Å; R31-E34 WeakPolarHBondContact CB-OE2 3.03Å; R31-E34 HydrophobicContact CG-CG 4.46Å; R31-E34 WeakPolarHBondContact CG-OE2 3.41Å; R31-E34 PolarHBondContact N-OE2 3.22Å; R31-E34 IonicContact NE-OE1 3.84Å; R31-E34 WeakPolarHBondContact O-CB 3.46Å; R31-E34 PolarHBondContact O-N 3.37Å; H32-E34 VanDerWaalsContact C-N 3.29Å; H32-E34 PolarHBondContact O-N 2.79Å; E34-V38 PolarHBondContact O-N 3.45Å; E34-I39 WeakPolarHBondContact O-CB 3.31Å; E34-I39 WeakPolarHBondContact O-CG1 3.42Å; E34-I39 PolarHBondContact O-N 3.43Å; E34-Y102 HydrophobicContact CB-CE1 3.82Å; E34-Y102 HydrophobicContact CG-CE1 3.92Å; E34-Y102 WeakPolarHBondContact CG-OH 3.39Å; E34-Y102 PolarHBondContact OE1-OH 2.9Å; E34-R106 WeakPolarHBondContact OE1-CD 3.46Å; E34-R106 IonicContact OE1-CZ 3.01Å; E34-R106 IonicContact OE1-NH1 3.35Å; E34-R106 PolarHBondContact OE1-NH1 2.99Å; E34-R106 IonicContact OE2-CZ 3.67Å; E34-R106 IonicContact OE2-NH1 3.75Å; E34-R106 PolarHBondContact OE2-NH1 3.14Å
35R95.4Very high94Very high148 Ų14870.4 Ų70.456%0.55835%0.354SS*.Iπ-helixtrans-66.2-45.9177.8-171.7-171.2-54.3-116.6-3.8112.8L30 R31 H32 P40L30-R35 HydrophobicContact CB-CB 4.36Å; L30-R35 PolarHBondContact O-NH2 3.29Å; R31-R35 PolarHBondContact O-N 2.64Å; H32-R35 PolarHBondContact O-N 2.05Å; R35-P40 WeakPolarHBondContact O-CD 2.86Å; R35-P40 WeakPolarHBondContact O-CG 3.26Å
36D95.6Very high94.2Very high80 Ų8069.9 Ų69.943%0.42835%0.347SS..Iπ-helixtrans-100.4-12.5-165.7-58-27.7000113.2H32H32-D36 IonicContact CE1-OD2 3.91Å; H32-D36 PolarHBondContact CE1-OD2 3.35Å; H32-D36 IonicContact CG-OD2 2.92Å; H32-D36 IonicContact ND1-OD2 2.7Å; H32-D36 PolarHBondContact ND1-OD2 3.03Å; H32-D36 IonicContact NE2-OD2 3.93Å; H32-D36 WeakPolarHBondContact O-CB 3.08Å; H32-D36 PolarHBondContact O-N 3.04Å
37V97Very high94.4Very high71 Ų7164 Ų6443%0.4332%0.316SS..Iπ-helixtrans-129.9-53.8-178.6-174.30000112.1V33 N41V33-V37 HydrophobicContact CG1-CB 4.39Å; V33-V37 WeakPolarHBondContact O-CA 3.46Å; V33-V37 WeakPolarHBondContact O-CB 3.34Å; V33-V37 PolarHBondContact O-N 3.05Å; V37-N41 WeakPolarHBondContact CG1-ND2 3.11Å; V37-N41 VanDerWaalsContact O-CB 3.23Å; V37-N41 WeakPolarHBondContact O-CB 3.06Å; V37-N41 PolarHBondContact O-N 3.5Å; V37-N41 PolarHBondContact O-ND2 3.24Å; V37-N41 VanDerWaalsContact O-ND2 3.14Å
38V96.3Very high94.3Very high42 Ų4268.3 Ų68.326%0.25533%0.333SS..Iπ-helixtrans-68.5-53-171.1-177.70000112V33 E34 N41 R42 Y102V33-V38 HydrophobicContact CG1-CG2 4.36Å; V33-V38 PolarHBondContact O-N 2.96Å; E34-V38 PolarHBondContact O-N 3.45Å; V38-N41 PolarHBondContact O-N 3.4Å; V38-R42 WeakPolarHBondContact O-CG 3.45Å; V38-R42 PolarHBondContact O-N 3.11Å; V38-Y102 HydrophobicContact CB-CE2 4.49Å; V38-Y102 HydrophobicContact CG1-CD2 3.75Å; V38-Y102 HydrophobicContact CG1-CE2 3.52Å; V38-Y102 HydrophobicContact CG1-CG 4.48Å
39I96.6Very high94.2Very high7 Ų768.9 Ų68.94%0.03633%0.33CS..Hα-helixtrans-62.3-49.1178.7-69.5161.4000110.5L30 E34 N41 R42 V43 V95 T99 Y102L30-I39 HydrophobicContact CD1-CD1 3.48Å; L30-I39 VanDerWaalsContact CD1-CD1 3.48Å; L30-I39 HydrophobicContact CD2-CD1 3.61Å; L30-I39 HydrophobicContact CG-CD1 4.16Å; E34-I39 WeakPolarHBondContact O-CB 3.31Å; E34-I39 WeakPolarHBondContact O-CG1 3.42Å; E34-I39 PolarHBondContact O-N 3.43Å; I39-N41 VanDerWaalsContact C-N 3.28Å; I39-N41 PolarHBondContact O-N 2.79Å; I39-R42 WeakPolarHBondContact O-CB 3.08Å; I39-R42 PolarHBondContact O-N 3.46Å; I39-V43 HydrophobicContact CG2-CG2 4.34Å; I39-V43 WeakPolarHBondContact O-CG2 3.12Å; I39-V43 PolarHBondContact O-N 3.08Å; I39-V95 HydrophobicContact CG2-CG1 4.31Å; I39-T99 HydrophobicContact CD1-CG2 3.83Å; I39-T99 WeakPolarHBondContact CG2-OG1 3.36Å; I39-Y102 HydrophobicContact CD1-CD1 4.28Å; I39-Y102 HydrophobicContact CG1-CD1 4.1Å; I39-Y102 HydrophobicContact CG1-CG 4.33Å
40P96.1Very high94.1Very high19 Ų1970.1 Ų70.112%0.12333%0.328CS..Hα-helixtrans-55.3-38.7174.7-33.439.6000114.6R35 R44 Y89R35-P40 WeakPolarHBondContact O-CD 2.86Å; R35-P40 WeakPolarHBondContact O-CG 3.26Å; P40-R44 WeakPolarHBondContact O-CB 3.48Å; P40-R44 PolarHBondContact O-N 2.81Å; P40-Y89 HydrophobicContact CB-CE2 4.26Å
41N95.6Very high94Very high58 Ų5871.7 Ų71.731%0.3133%0.333SS..Hα-helixtrans-68.3-40.6175.9-73.8-21.3000111.9V37 V38 I39 R44 D45V37-N41 WeakPolarHBondContact CG1-ND2 3.11Å; V37-N41 VanDerWaalsContact O-CB 3.23Å; V37-N41 WeakPolarHBondContact O-CB 3.06Å; V37-N41 PolarHBondContact O-N 3.5Å; V37-N41 PolarHBondContact O-ND2 3.24Å; V37-N41 VanDerWaalsContact O-ND2 3.14Å; V38-N41 PolarHBondContact O-N 3.4Å; I39-N41 VanDerWaalsContact C-N 3.28Å; I39-N41 PolarHBondContact O-N 2.79Å; N41-R44 PolarHBondContact O-N 2.94Å; N41-R44 PolarHBondContact OD1-NH1 3.1Å; N41-D45 WeakPolarHBondContact O-CB 3.26Å; N41-D45 PolarHBondContact O-N 3.47Å
42R94.7Very high94Very high49 Ų4967.3 Ų67.319%0.18532%0.316CS..Hα-helixtrans-61.6-45.7175.1-75.8179.6169.6-123.80112V38 I39 D45 R46 D105V38-R42 WeakPolarHBondContact O-CG 3.45Å; V38-R42 PolarHBondContact O-N 3.11Å; I39-R42 WeakPolarHBondContact O-CB 3.08Å; I39-R42 PolarHBondContact O-N 3.46Å; R42-D45 PolarHBondContact O-N 3.07Å; R42-R46 WeakPolarHBondContact O-CG 3.07Å; R42-R46 PolarHBondContact O-N 3.45Å; R42-D105 IonicContact CZ-OD2 3.66Å; R42-D105 VanDerWaalsContact CZ-OD2 3.23Å; R42-D105 IonicContact NH1-OD2 3.53Å; R42-D105 PolarHBondContact NH1-OD2 3.5Å; R42-D105 IonicContact NH2-OD2 3.67Å; R42-D105 PolarHBondContact NH2-OD2 3.36Å
43V95.5Very high93.9Very high2 Ų264 Ų641%0.01231%0.309CS..Hα-helixtrans-54.9-54.7173.3171.50000109.1I39 D45 R46 V47 Y89 F94 V95 C98I39-V43 HydrophobicContact CG2-CG2 4.34Å; I39-V43 WeakPolarHBondContact O-CG2 3.12Å; I39-V43 PolarHBondContact O-N 3.08Å; V43-D45 VanDerWaalsContact C-N 3.32Å; V43-D45 PolarHBondContact O-N 3.01Å; V43-R46 PolarHBondContact O-N 3.24Å; V43-R46 VanDerWaalsContact O-N 3.15Å; V43-V47 HydrophobicContact CG1-CG2 4.12Å; V43-V47 VanDerWaalsContact O-CG2 3.29Å; V43-V47 WeakPolarHBondContact O-CG2 3.41Å; V43-V47 PolarHBondContact O-N 3.07Å; V43-Y89 HydrophobicContact CG1-CD2 4.01Å; V43-F94 HydrophobicContact CG1-CD1 4Å; V43-F94 HydrophobicContact CG1-CE1 3.94Å; V43-V95 HydrophobicContact CG2-CG2 4.15Å; V43-C98 HydrophobicContact CG2-CB 3.71Å
44R92.8Very high93.7Very high136 Ų13662.1 Ų62.151%0.51330%0.304SS..Hα-helixtrans-54.3-46.5179.6-173.4-170.8-61.9132.95.4112.7P40 N41 K48P40-R44 WeakPolarHBondContact O-CB 3.48Å; P40-R44 PolarHBondContact O-N 2.81Å; N41-R44 PolarHBondContact O-N 2.94Å; N41-R44 PolarHBondContact OD1-NH1 3.1Å; R44-K48 WeakPolarHBondContact O-CB 3.49Å; R44-K48 PolarHBondContact O-N 3.43Å
45D92.3Very high93.7Very high86 Ų8663.5 Ų63.546%0.4631%0.31SS..Hα-helixtrans-65-40.1-178.8-75.7-20.2000111.9N41 R42 V43 K49N41-D45 WeakPolarHBondContact O-CB 3.26Å; N41-D45 PolarHBondContact O-N 3.47Å; R42-D45 PolarHBondContact O-N 3.07Å; V43-D45 VanDerWaalsContact C-N 3.32Å; V43-D45 PolarHBondContact O-N 3.01Å; D45-K49 VanDerWaalsContact O-CG 3.27Å; D45-K49 WeakPolarHBondContact O-CG 3.09Å; D45-K49 PolarHBondContact O-N 2.85Å
46R93Very high93.6Very high27 Ų2759.9 Ų59.910%0.10230%0.297CS..Hα-helixtrans-71.2-45.2176.8-70.9-172.161.6-164.7-13.1112.2R42 V43 K48 K49 E50 F94 E97 E101R42-R46 WeakPolarHBondContact O-CG 3.07Å; R42-R46 PolarHBondContact O-N 3.45Å; V43-R46 PolarHBondContact O-N 3.24Å; V43-R46 VanDerWaalsContact O-N 3.15Å; R46-K48 PolarHBondContact O-N 2.75Å; R46-K49 PolarHBondContact O-N 3.38Å; R46-E50 IonicContact CZ-OE1 3.93Å; R46-E50 IonicContact CZ-OE2 3.32Å; R46-E50 IonicContact NE-OE1 2.73Å; R46-E50 PolarHBondContact NE-OE1 3.29Å; R46-E50 IonicContact NE-OE2 3.58Å; R46-E50 PolarHBondContact NE-OE2 3.49Å; R46-E50 IonicContact NH2-OE1 3.05Å; R46-E50 IonicContact NH2-OE2 2.6Å; R46-E50 PolarHBondContact NH2-OE2 3.49Å; R46-E50 WeakPolarHBondContact O-CB 3.31Å; R46-E50 PolarHBondContact O-N 3.22Å; R46-F94 HydrophobicContact CB-CE1 4.35Å; R46-F94 HydrophobicContact CB-CZ 3.68Å; R46-E97 IonicContact CZ-OE1 3.89Å; R46-E97 VanDerWaalsContact CZ-OE1 3.23Å; R46-E97 IonicContact NH1-OE1 2.84Å; R46-E97 PolarHBondContact NH1-OE1 3.38Å; R46-E97 IonicContact NH2-OE1 3.71Å; R46-E97 PolarHBondContact NH2-OE1 2.67Å; R46-E97 IonicContact NH2-OE2 2.69Å; R46-E101 IonicContact CZ-OE2 3.23Å; R46-E101 IonicContact NE-OE2 2.71Å; R46-E101 VanDerWaalsContact NH1-CD 3.29Å; R46-E101 IonicContact NH1-OE1 3.71Å; R46-E101 IonicContact NH1-OE2 2.8Å; R46-E101 PolarHBondContact NH1-OE2 3.26Å
47V93.9Very high93.5Very high4 Ų458.9 Ų58.92%0.02430%0.3CS..Iπ-helixtrans-54.6-44.8175.7175.70000110.8V43 K49 K51 C52 L85 W88 F94V43-V47 HydrophobicContact CG1-CG2 4.12Å; V43-V47 VanDerWaalsContact O-CG2 3.29Å; V43-V47 WeakPolarHBondContact O-CG2 3.41Å; V43-V47 PolarHBondContact O-N 3.07Å; V47-K49 VanDerWaalsContact C-N 3.33Å; V47-K49 PolarHBondContact O-N 3.05Å; V47-K51 HydrophobicContact CG1-CB 4.32Å; V47-K51 PolarHBondContact O-N 3.36Å; V47-K51 VanDerWaalsContact O-N 3.08Å; V47-C52 PolarHBondContact O-N 3.36Å; V47-L85 HydrophobicContact CG1-CD2 3.56Å; V47-W88 HydrophobicContact CB-CB 4.34Å; V47-W88 HydrophobicContact CG1-CB 3.87Å; V47-W88 HydrophobicContact CG1-CG 4.37Å; V47-W88 HydrophobicContact CG2-CB 3.44Å; V47-W88 VanDerWaalsContact CG2-CB 3.44Å; V47-W88 HydrophobicContact CG2-CG 4.4Å; V47-F94 HydrophobicContact CG2-CD1 4.19Å; V47-F94 HydrophobicContact CG2-CE1 3.5Å; V47-F94 HydrophobicContact CG2-CZ 4.26Å
48K88.7Confident93.3Very high123 Ų12360.1 Ų60.154%0.53530%0.301SS..Iπ-helixtrans-63.1-37.7179.4-177175.1-178.3-175.90113R44 R46 Y56R44-K48 WeakPolarHBondContact O-CB 3.49Å; R44-K48 PolarHBondContact O-N 3.43Å; R46-K48 PolarHBondContact O-N 2.75Å; K48-Y56 HydrophobicContact CB-CE2 4.28Å; K48-Y56 HydrophobicContact CG-CE2 3.74Å
49K88.5Confident93.1Very high141 Ų14159.6 Ų59.661%0.61330%0.297SS*.Iπ-helixtrans-83.8-38.4-176.7-71.4173.4-175.4176.60113.1D45 R46 V47D45-K49 VanDerWaalsContact O-CG 3.27Å; D45-K49 WeakPolarHBondContact O-CG 3.09Å; D45-K49 PolarHBondContact O-N 2.85Å; R46-K49 PolarHBondContact O-N 3.38Å; V47-K49 VanDerWaalsContact C-N 3.33Å; V47-K49 PolarHBondContact O-N 3.05Å
50E91.6Very high92.9Very high96 Ų9664.3 Ų64.345%0.44932%0.322SS..Iπ-helixtrans-107.3-33.5-164.7-64.9168.8-152.900113.5R46R46-E50 IonicContact CZ-OE1 3.93Å; R46-E50 IonicContact CZ-OE2 3.32Å; R46-E50 IonicContact NE-OE1 2.73Å; R46-E50 PolarHBondContact NE-OE1 3.29Å; R46-E50 IonicContact NE-OE2 3.58Å; R46-E50 PolarHBondContact NE-OE2 3.49Å; R46-E50 IonicContact NH2-OE1 3.05Å; R46-E50 IonicContact NH2-OE2 2.6Å; R46-E50 PolarHBondContact NH2-OE2 3.49Å; R46-E50 WeakPolarHBondContact O-CB 3.31Å; R46-E50 PolarHBondContact O-N 3.22Å
51K91.6Very high92.7Very high73 Ų7369.9 Ų69.932%0.31734%0.344SS..Iπ-helixtrans-107.6-53.4-162.7-57.7-61.8-171.6168.70113.9V47 S53 W88V47-K51 HydrophobicContact CG1-CB 4.32Å; V47-K51 PolarHBondContact O-N 3.36Å; V47-K51 VanDerWaalsContact O-N 3.08Å; K51-S53 PolarHBondContact O-N 2.88Å; K51-W88 HydrophobicContact CB-CD2 4.12Å; K51-W88 HydrophobicContact CB-CG 4.01Å; K51-W88 HydrophobicContact CD-CD2 3.97Å; K51-W88 HydrophobicContact CD-CE3 4.13Å; K51-W88 HydrophobicContact CD-CH2 3.94Å; K51-W88 HydrophobicContact CD-CZ2 3.74Å; K51-W88 HydrophobicContact CD-CZ3 4.12Å; K51-W88 HydrophobicContact CG-CD2 3.77Å; K51-W88 HydrophobicContact CG-CE3 4.21Å; K51-W88 HydrophobicContact CG-CG 4.01Å; K51-W88 HydrophobicContact CG-CZ2 4.36Å
52C93.5Very high92.6Very high0 Ų068 Ų680%034%0.335CS..SBendtrans-99.530.1-169.9-57.60000114.1V47 A54 E55 Y56 L81 C84 L85V47-C52 PolarHBondContact O-N 3.36Å; C52-A54 VanDerWaalsContact C-N 3.33Å; C52-A54 PolarHBondContact O-N 2.88Å; C52-E55 WeakPolarHBondContact CA-OE2 3.42Å; C52-E55 PolarHBondContact O-N 2.86Å; C52-Y56 HydrophobicContact CB-CD2 4.36Å; C52-Y56 HydrophobicContact CB-CE2 4.39Å; C52-Y56 WeakPolarHBondContact O-CD2 3.11Å; C52-Y56 PolarHBondContact O-N 3.32Å; C52-L81 HydrophobicContact CB-CD1 3.94Å; C52-C84 VanDerWaalsContact CA-SG 3.54Å; C52-C84 HydrophobicContact CB-CB 3.99Å; C52-C84 WeakPolarHBondContact CB-SG 3.31Å; C52-C84 WeakPolarHBondContact SG-CB 3.44Å; C52-C84 CovalentContact SG-SG 2.05Å; C52-C84 PolarHBondContact SG-SG 2.91Å; C52-L85 HydrophobicContact CB-CD2 4.04Å; C52-L85 PolarHBondContact SG-N 3.12Å
53S92.1Very high92.4Very high75 Ų7568.4 Ų68.452%0.52434%0.34SS..Hα-helixtrans-65.6-34.6-17460.60000112.8K51 Y56 A57K51-S53 PolarHBondContact O-N 2.88Å; S53-Y56 PolarHBondContact O-N 3.16Å; S53-A57 PolarHBondContact O-N 3.39Å
54A93Very high92.1Very high53 Ų5372.1 Ų72.144%0.43837%0.366SS..Hα-helixtrans-69.1-42.1178.300000111.9C52 A57 Q58C52-A54 VanDerWaalsContact C-N 3.33Å; C52-A54 PolarHBondContact O-N 2.88Å; A54-A57 PolarHBondContact O-N 3.05Å; A54-Q58 WeakPolarHBondContact O-CG 3.36Å; A54-Q58 PolarHBondContact O-N 2.81Å
55E93.8Very high91.8Very high43 Ų4371.4 Ų71.420%0.20137%0.369CS..Hα-helixtrans-67.1-39.4177-62.678-177.100110.6C52 Q58 L59 T80 L81 C84C52-E55 WeakPolarHBondContact CA-OE2 3.42Å; C52-E55 PolarHBondContact O-N 2.86Å; E55-Q58 PolarHBondContact O-N 2.84Å; E55-L59 WeakPolarHBondContact O-CB 3.48Å; E55-L59 PolarHBondContact O-N 3.07Å; E55-T80 HydrophobicContact CG-CG2 4.19Å; E55-L81 HydrophobicContact CB-CB 3.94Å; E55-L81 HydrophobicContact CB-CD1 3.69Å; E55-L81 HydrophobicContact CB-CG 4.43Å; E55-C84 HydrophobicContact CG-CB 3.89Å
56Y93.8Very high91.2Very high72 Ų7270.3 Ų70.328%0.28236%0.36SS..Hα-helixtrans-59.6-45.3170.2-86.3-63.6000111.6K48 C52 S53 Q58 L59 D60 L81 L85K48-Y56 HydrophobicContact CB-CE2 4.28Å; K48-Y56 HydrophobicContact CG-CE2 3.74Å; C52-Y56 HydrophobicContact CB-CD2 4.36Å; C52-Y56 HydrophobicContact CB-CE2 4.39Å; C52-Y56 WeakPolarHBondContact O-CD2 3.11Å; C52-Y56 PolarHBondContact O-N 3.32Å; S53-Y56 PolarHBondContact O-N 3.16Å; Y56-Q58 VanDerWaalsContact C-N 3.34Å; Y56-Q58 PolarHBondContact O-N 3.07Å; Y56-L59 PolarHBondContact O-N 3.43Å; Y56-D60 VanDerWaalsContact O-CB 3.31Å; Y56-D60 WeakPolarHBondContact O-CB 3.23Å; Y56-D60 PolarHBondContact O-N 3.39Å; Y56-L81 HydrophobicContact CD1-CD1 4.07Å; Y56-L81 HydrophobicContact CD1-CD2 3.68Å; Y56-L81 HydrophobicContact CD2-CD1 3.82Å; Y56-L81 HydrophobicContact CE1-CD1 4.07Å; Y56-L81 HydrophobicContact CE1-CD2 3.52Å; Y56-L81 HydrophobicContact CE1-CG 4.4Å; Y56-L81 HydrophobicContact CE2-CD1 3.78Å; Y56-L81 HydrophobicContact CG-CD1 3.94Å; Y56-L81 HydrophobicContact CG-CD2 4.35Å; Y56-L85 HydrophobicContact CE2-CD2 4.18Å
57A93.5Very high90.5Very high59 Ų5971.2 Ų71.249%0.48838%0.378SS..Hα-helixtrans-64-37.4178.200000112.5S53 A54 D60 K61S53-A57 PolarHBondContact O-N 3.39Å; A54-A57 PolarHBondContact O-N 3.05Å; A57-D60 PolarHBondContact O-N 3.44Å; A57-K61 VanDerWaalsContact O-CB 3.3Å; A57-K61 WeakPolarHBondContact O-CB 3.12Å; A57-K61 PolarHBondContact O-N 2.73Å
58Q92.6Very high89.9Confident98 Ų9880.1 Ų80.146%0.45842%0.421SS..Hα-helixtrans-66.7-43.3174.8-71.8176.944.400112.2A54 E55 Y56 K61 C62 T77A54-Q58 WeakPolarHBondContact O-CG 3.36Å; A54-Q58 PolarHBondContact O-N 2.81Å; E55-Q58 PolarHBondContact O-N 2.84Å; Y56-Q58 VanDerWaalsContact C-N 3.34Å; Y56-Q58 PolarHBondContact O-N 3.07Å; Q58-K61 PolarHBondContact O-N 3.26Å; Q58-C62 PolarHBondContact O-N 3.46Å; Q58-T77 HydrophobicContact CB-CG2 4.32Å
59L92.9Very high89.6Confident30 Ų3076.4 Ų76.416%0.15741%0.411CS..Hα-helixtrans-62.1-48.4174.4-179.559.2000110E55 Y56 K61 C62 M63 C74 R78 L81E55-L59 WeakPolarHBondContact O-CB 3.48Å; E55-L59 PolarHBondContact O-N 3.07Å; Y56-L59 PolarHBondContact O-N 3.43Å; L59-K61 VanDerWaalsContact C-N 3.32Å; L59-K61 PolarHBondContact O-N 3.24Å; L59-C62 WeakPolarHBondContact O-CB 3.32Å; L59-C62 PolarHBondContact O-N 3.28Å; L59-C62 VanDerWaalsContact O-N 3.1Å; L59-M63 HydrophobicContact CD1-CG 3.96Å; L59-M63 HydrophobicContact CD1-SD 4.27Å; L59-M63 HydrophobicContact CG-CG 4.09Å; L59-M63 WeakPolarHBondContact O-CB 3.5Å; L59-M63 WeakPolarHBondContact O-CG 3.49Å; L59-M63 PolarHBondContact O-N 2.66Å; L59-C74 HydrophobicContact CD1-CB 4.11Å; L59-R78 HydrophobicContact CD1-CB 4.14Å; L59-L81 HydrophobicContact CD2-CD2 3.5Å; L59-L81 VanDerWaalsContact CD2-CD2 3.5Å
60D92.2Very high89.2Confident106 Ų10673.9 Ų73.957%0.56740%0.397SS*.Hα-helixtrans-60.6-39.9180-170.457.1000112.5Y56 A57 M63 S64Y56-D60 VanDerWaalsContact O-CB 3.31Å; Y56-D60 WeakPolarHBondContact O-CB 3.23Å; Y56-D60 PolarHBondContact O-N 3.39Å; A57-D60 PolarHBondContact O-N 3.44Å; D60-M63 PolarHBondContact O-N 3.27Å; D60-S64 VanDerWaalsContact O-CB 3.31Å; D60-S64 WeakPolarHBondContact O-CB 3.39Å; D60-S64 PolarHBondContact O-N 3.04Å; D60-S64 PolarHBondContact O-OG 3.38Å
61K92.2Very high88.7Confident137 Ų13774.8 Ų74.860%0.59640%0.404SS*.Hα-helixtrans-61.3-45.2172.7-175.1176.9-178.5178.80112A57 Q58 L59 S64 Q65A57-K61 VanDerWaalsContact O-CB 3.3Å; A57-K61 WeakPolarHBondContact O-CB 3.12Å; A57-K61 PolarHBondContact O-N 2.73Å; Q58-K61 PolarHBondContact O-N 3.26Å; L59-K61 VanDerWaalsContact C-N 3.32Å; L59-K61 PolarHBondContact O-N 3.24Å; K61-S64 PolarHBondContact O-N 2.93Å; K61-Q65 VanDerWaalsContact O-CG 3.31Å; K61-Q65 WeakPolarHBondContact O-CG 3.31Å; K61-Q65 PolarHBondContact O-N 2.88Å
62C92.4Very high88.5Confident17 Ų1780.9 Ų80.912%0.11543%0.425CS..Hα-helixtrans-63.8-44.8176-174.40000111.4Q58 L59 S64 Q65 F66 C74 T77Q58-C62 PolarHBondContact O-N 3.46Å; L59-C62 WeakPolarHBondContact O-CB 3.32Å; L59-C62 PolarHBondContact O-N 3.28Å; L59-C62 VanDerWaalsContact O-N 3.1Å; C62-S64 VanDerWaalsContact C-N 3.29Å; C62-S64 PolarHBondContact O-N 2.99Å; C62-Q65 PolarHBondContact O-N 2.96Å; C62-F66 WeakPolarHBondContact O-CD2 3.24Å; C62-F66 PolarHBondContact O-N 3.48Å; C62-C74 HydrophobicContact CB-CB 3.95Å; C62-C74 WeakPolarHBondContact CB-SG 3.29Å; C62-C74 PolarHBondContact O-SG 2.79Å; C62-C74 WeakPolarHBondContact SG-CA 3.36Å; C62-C74 WeakPolarHBondContact SG-CB 3.27Å; C62-C74 CovalentContact SG-SG 2.04Å; C62-C74 PolarHBondContact SG-SG 2.84Å; C62-T77 HydrophobicContact CB-CG2 4.3Å
63M90.2Very high88.3Confident59 Ų5988 Ų8829%0.29145%0.452SS..Hα-helixtrans-62-38.3178-66.3-62.7-75.800110.8L59 D60 Q65 R70 C74L59-M63 HydrophobicContact CD1-CG 3.96Å; L59-M63 HydrophobicContact CD1-SD 4.27Å; L59-M63 HydrophobicContact CG-CG 4.09Å; L59-M63 WeakPolarHBondContact O-CB 3.5Å; L59-M63 WeakPolarHBondContact O-CG 3.49Å; L59-M63 PolarHBondContact O-N 2.66Å; D60-M63 PolarHBondContact O-N 3.27Å; M63-Q65 VanDerWaalsContact C-N 3.34Å; M63-Q65 PolarHBondContact O-N 3.37Å; M63-R70 HydrophobicContact CB-CG 4.5Å; M63-R70 HydrophobicContact CE-CB 3.77Å; M63-R70 VanDerWaalsContact CE-CD 3.5Å; M63-R70 HydrophobicContact CE-CG 4.11Å; M63-R70 WeakPolarHBondContact O-CD 3.01Å; M63-R70 WeakPolarHBondContact O-CG 3.39Å; M63-R70 PolarHBondContact O-NE 3.41Å; M63-R70 PolarHBondContact O-NH1 3.16Å; M63-R70 PolarHBondContact O-NH2 3.43Å; M63-R70 HydrophobicContact SD-CB 3.56Å; M63-R70 VanDerWaalsContact SD-CB 3.56Å; M63-R70 HydrophobicContact SD-CG 3.94Å; M63-C74 HydrophobicContact SD-CB 4.19Å
64S89.3Confident88.3Confident79 Ų7984.6 Ų84.655%0.55243%0.428SS*.Hα-helixtrans-69.6-29.4179.2-65.60000113.3D60 K61 C62D60-S64 VanDerWaalsContact O-CB 3.31Å; D60-S64 WeakPolarHBondContact O-CB 3.39Å; D60-S64 PolarHBondContact O-N 3.04Å; D60-S64 PolarHBondContact O-OG 3.38Å; K61-S64 PolarHBondContact O-N 2.93Å; C62-S64 VanDerWaalsContact C-N 3.29Å; C62-S64 PolarHBondContact O-N 2.99Å
65Q87.5Confident88.3Confident122 Ų12286.6 Ų86.657%0.5743%0.425SS*.Hα-helixtrans-77.7-37.1-177.3-75175.83.500114K61 C62 M63K61-Q65 VanDerWaalsContact O-CG 3.31Å; K61-Q65 WeakPolarHBondContact O-CG 3.31Å; K61-Q65 PolarHBondContact O-N 2.88Å; C62-Q65 PolarHBondContact O-N 2.96Å; M63-Q65 VanDerWaalsContact C-N 3.34Å; M63-Q65 PolarHBondContact O-N 3.37Å
66F79.6Confident88.2Confident63 Ų6393 Ų9328%0.27645%0.452SS..SBendtrans-104.2131.6-177.7-57.6-67.8000107.9C62 R70 R73C62-F66 WeakPolarHBondContact O-CD2 3.24Å; C62-F66 PolarHBondContact O-N 3.48Å; F66-R70 HydrophobicContact CB-CG 4.1Å; F66-R70 VanDerWaalsContact O-CD 3.26Å; F66-R70 WeakPolarHBondContact O-CD 3.31Å; F66-R70 WeakPolarHBondContact O-CG 3.46Å; F66-R70 PolarHBondContact O-NE 3.29Å; F66-R70 PolarHBondContact O-NH2 3.33Å; F66-R73 HydrophobicContact CD2-CB 4.05Å; F66-R73 HydrophobicContact CE2-CB 4.39Å; F66-R73 HydrophobicContact CG-CB 4.27Å
67G77Confident88.2Confident46 Ų4691 Ų9147%0.47445%0.447SS..SBendtrans-73.6-107.9-18000000112.7S69 R70G67-S69 VanDerWaalsContact C-N 3.25Å; G67-S69 PolarHBondContact O-N 3.5Å; G67-R70 VanDerWaalsContact O-CD 3.23Å; G67-R70 WeakPolarHBondContact O-CD 3.41Å; G67-R70 WeakPolarHBondContact O-CG 3.48Å; G67-R70 PolarHBondContact O-NE 3.35Å
68M81.4Confident88.3Confident191 Ų19193.3 Ų93.394%0.94144%0.443SS*.THydrogen-bonded Turntrans-71.6-17-179.7-66177.9-74.700114.3R70M68-R70 VanDerWaalsContact C-N 3.3Å; M68-R70 PolarHBondContact O-N 3.23Å
69S83.1Confident88.4Confident45 Ų4592 Ų9232%0.31544%0.439SS..THydrogen-bonded Turntrans-89.814.5-175.8520000114.4G67 I71 R73G67-S69 VanDerWaalsContact C-N 3.25Å; G67-S69 PolarHBondContact O-N 3.5Å; S69-I71 PolarHBondContact O-N 3.46Å; S69-R73 WeakPolarHBondContact O-CG 3.45Å; S69-R73 PolarHBondContact O-N 3.26Å; S69-R73 VanDerWaalsContact OG-CZ 3.26Å; S69-R73 PolarHBondContact OG-NE 3.33Å; S69-R73 PolarHBondContact OG-NH2 2.88Å
70R79.9Confident88.5Confident88 Ų8893.8 Ų93.833%0.33245%0.452SS..Hα-helixtrans-57.9-45.2-177-73.3166.1-150.1-145.9-18.1114.1M63 F66 G67 M68 W72 R73 C74M63-R70 HydrophobicContact CB-CG 4.5Å; M63-R70 HydrophobicContact CE-CB 3.77Å; M63-R70 VanDerWaalsContact CE-CD 3.5Å; M63-R70 HydrophobicContact CE-CG 4.11Å; M63-R70 WeakPolarHBondContact O-CD 3.01Å; M63-R70 WeakPolarHBondContact O-CG 3.39Å; M63-R70 PolarHBondContact O-NE 3.41Å; M63-R70 PolarHBondContact O-NH1 3.16Å; M63-R70 PolarHBondContact O-NH2 3.43Å; M63-R70 HydrophobicContact SD-CB 3.56Å; M63-R70 VanDerWaalsContact SD-CB 3.56Å; M63-R70 HydrophobicContact SD-CG 3.94Å; F66-R70 HydrophobicContact CB-CG 4.1Å; F66-R70 VanDerWaalsContact O-CD 3.26Å; F66-R70 WeakPolarHBondContact O-CD 3.31Å; F66-R70 WeakPolarHBondContact O-CG 3.46Å; F66-R70 PolarHBondContact O-NE 3.29Å; F66-R70 PolarHBondContact O-NH2 3.33Å; G67-R70 VanDerWaalsContact O-CD 3.23Å; G67-R70 WeakPolarHBondContact O-CD 3.41Å; G67-R70 WeakPolarHBondContact O-CG 3.48Å; G67-R70 PolarHBondContact O-NE 3.35Å; M68-R70 VanDerWaalsContact C-N 3.3Å; M68-R70 PolarHBondContact O-N 3.23Å; R70-W72 PolarHBondContact O-N 3.03Å; R70-W72 VanDerWaalsContact O-N 3.07Å; R70-R73 PolarHBondContact O-N 3.41Å; R70-R73 VanDerWaalsContact O-N 3.1Å; R70-C74 WeakPolarHBondContact O-CB 3.33Å; R70-C74 PolarHBondContact O-N 2.99Å
71I81.3Confident88.7Confident114 Ų11489.1 Ų89.159%0.58543%0.427SS*.Hα-helixtrans-55.9-36.3-169.3-60.1160.3000110.2S69 Y75S69-I71 PolarHBondContact O-N 3.46Å; I71-Y75 WeakPolarHBondContact O-CD1 3.39Å; I71-Y75 WeakPolarHBondContact O-CE1 3.45Å; I71-Y75 VanDerWaalsContact O-CZ 3.24Å
72W87.3Confident88.8Confident201 Ų20186.1 Ų86.176%0.76142%0.418SS*.Hα-helixtrans-90-29.3-176.7-57.53.1000113.2R70 Y75R70-W72 PolarHBondContact O-N 3.03Å; R70-W72 VanDerWaalsContact O-N 3.07Å; W72-Y75 VanDerWaalsContact CA-CE2 3.45Å; W72-Y75 HydrophobicContact CB-CE2 4.16Å; W72-Y75 WeakPolarHBondContact O-CD2 3.42Å; W72-Y75 WeakPolarHBondContact O-CE2 3.26Å
73R88.5Confident89Confident150 Ų15090 Ų9057%0.56644%0.441SS*.Hα-helixtrans-85.9-25.6-176.6-63.1-171.7-142.9-138.11.9113.3F66 S69 R70F66-R73 HydrophobicContact CD2-CB 4.05Å; F66-R73 HydrophobicContact CE2-CB 4.39Å; F66-R73 HydrophobicContact CG-CB 4.27Å; S69-R73 WeakPolarHBondContact O-CG 3.45Å; S69-R73 PolarHBondContact O-N 3.26Å; S69-R73 VanDerWaalsContact OG-CZ 3.26Å; S69-R73 PolarHBondContact OG-NE 3.33Å; S69-R73 PolarHBondContact OG-NH2 2.88Å; R70-R73 PolarHBondContact O-N 3.41Å; R70-R73 VanDerWaalsContact O-N 3.1Å
74C93.5Very high89.2Confident4 Ų487.9 Ų87.93%0.02743%0.431CS..  trans-99.420.1-175.1-590000114.1L59 C62 M63 R70 K76 T77 R78L59-C74 HydrophobicContact CD1-CB 4.11Å; C62-C74 HydrophobicContact CB-CB 3.95Å; C62-C74 WeakPolarHBondContact CB-SG 3.29Å; C62-C74 PolarHBondContact O-SG 2.79Å; C62-C74 WeakPolarHBondContact SG-CA 3.36Å; C62-C74 WeakPolarHBondContact SG-CB 3.27Å; C62-C74 CovalentContact SG-SG 2.04Å; C62-C74 PolarHBondContact SG-SG 2.84Å; M63-C74 HydrophobicContact SD-CB 4.19Å; R70-C74 WeakPolarHBondContact O-CB 3.33Å; R70-C74 PolarHBondContact O-N 2.99Å; C74-K76 VanDerWaalsContact C-N 3.34Å; C74-K76 PolarHBondContact O-N 3.3Å; C74-T77 PolarHBondContact O-N 3.15Å; C74-T77 PolarHBondContact O-OG1 3.46Å; C74-T77 VanDerWaalsContact O-OG1 3.11Å; C74-R78 VanDerWaalsContact O-CB 3.26Å; C74-R78 WeakPolarHBondContact O-CB 3.4Å; C74-R78 PolarHBondContact O-N 3.01Å
75Y92.4Very high89.5Confident95 Ų9586.1 Ų86.137%0.37342%0.416SS..Hα-helixtrans-57.8-44.8177.9-72.9-50.8000112.4I71 W72 T77 R78 D79I71-Y75 WeakPolarHBondContact O-CD1 3.39Å; I71-Y75 WeakPolarHBondContact O-CE1 3.45Å; I71-Y75 VanDerWaalsContact O-CZ 3.24Å; W72-Y75 VanDerWaalsContact CA-CE2 3.45Å; W72-Y75 HydrophobicContact CB-CE2 4.16Å; W72-Y75 WeakPolarHBondContact O-CD2 3.42Å; W72-Y75 WeakPolarHBondContact O-CE2 3.26Å; Y75-T77 PolarHBondContact O-N 3.28Å; Y75-R78 PolarHBondContact O-N 3.35Å; Y75-D79 WeakPolarHBondContact O-CB 3.49Å; Y75-D79 PolarHBondContact O-N 3.18Å
76K92.7Very high89.8Confident178 Ų17885 Ų8577%0.77441%0.413SS*.Hα-helixtrans-59.9-47.5-178.8-66-171.5177.3-177.80112.9C74 D79 T80C74-K76 VanDerWaalsContact C-N 3.34Å; C74-K76 PolarHBondContact O-N 3.3Å; K76-D79 PolarHBondContact O-N 2.97Å; K76-T80 WeakPolarHBondContact O-CB 3.48Å; K76-T80 PolarHBondContact O-N 3.26Å; K76-T80 PolarHBondContact O-OG1 3.29Å
77T93.5Very high90.5Very high29 Ų2985.2 Ų85.218%0.17842%0.422CS..Hα-helixtrans-70-35.8178.849.10000111.6Q58 C62 C74 Y75 L81Q58-T77 HydrophobicContact CB-CG2 4.32Å; C62-T77 HydrophobicContact CB-CG2 4.3Å; C74-T77 PolarHBondContact O-N 3.15Å; C74-T77 PolarHBondContact O-OG1 3.46Å; C74-T77 VanDerWaalsContact O-OG1 3.11Å; Y75-T77 PolarHBondContact O-N 3.28Å; T77-L81 PolarHBondContact O-N 3.31Å
78R93.9Very high91.4Very high107 Ų10786.5 Ų86.540%0.40441%0.413SS..Hα-helixtrans-63.7-46173.8-173-162.472.2171.50.8112L59 C74 Y75 T80 L81 N82L59-R78 HydrophobicContact CD1-CB 4.14Å; C74-R78 VanDerWaalsContact O-CB 3.26Å; C74-R78 WeakPolarHBondContact O-CB 3.4Å; C74-R78 PolarHBondContact O-N 3.01Å; Y75-R78 PolarHBondContact O-N 3.35Å; R78-T80 VanDerWaalsContact C-N 3.34Å; R78-L81 WeakPolarHBondContact O-CB 3.29Å; R78-L81 PolarHBondContact O-N 3.28Å; R78-N82 WeakPolarHBondContact O-CB 3.36Å; R78-N82 VanDerWaalsContact O-CG 3.3Å; R78-N82 PolarHBondContact O-N 2.97Å; R78-N82 PolarHBondContact O-ND2 3.37Å
79D95.6Very high91.9Very high70 Ų7081 Ų8137%0.37438%0.382SS..Hα-helixtrans-69.2-37.3-177.3-63.4-17.8000110.2Y75 K76 L81 N82 T83Y75-D79 WeakPolarHBondContact O-CB 3.49Å; Y75-D79 PolarHBondContact O-N 3.18Å; K76-D79 PolarHBondContact O-N 2.97Å; D79-L81 PolarHBondContact O-N 2.98Å; D79-N82 PolarHBondContact O-N 3.33Å; D79-T83 PolarHBondContact O-N 2.91Å; D79-T83 PolarHBondContact O-OG1 3.05Å; D79-T83 VanDerWaalsContact O-OG1 3.07Å
80T95.4Very high92.3Very high69 Ų6986.6 Ų86.642%0.42340%0.398SS..Hα-helixtrans-58.6-47170.7-54.50000111.8E55 K76 R78 T83 C84E55-T80 HydrophobicContact CG-CG2 4.19Å; K76-T80 WeakPolarHBondContact O-CB 3.48Å; K76-T80 PolarHBondContact O-N 3.26Å; K76-T80 PolarHBondContact O-OG1 3.29Å; R78-T80 VanDerWaalsContact C-N 3.34Å; T80-T83 PolarHBondContact O-N 3.22Å; T80-C84 PolarHBondContact O-N 3.46Å
81L95.3Very high93.1Very high7 Ų784.7 Ų84.74%0.03739%0.394CS..Hα-helixtrans-59.6-47.5174.1172.364.9000111.4C52 E55 Y56 L59 T77 R78 D79 T83 C84 L85C52-L81 HydrophobicContact CB-CD1 3.94Å; E55-L81 HydrophobicContact CB-CB 3.94Å; E55-L81 HydrophobicContact CB-CD1 3.69Å; E55-L81 HydrophobicContact CB-CG 4.43Å; Y56-L81 HydrophobicContact CD1-CD1 4.07Å; Y56-L81 HydrophobicContact CD1-CD2 3.68Å; Y56-L81 HydrophobicContact CD2-CD1 3.82Å; Y56-L81 HydrophobicContact CE1-CD1 4.07Å; Y56-L81 HydrophobicContact CE1-CD2 3.52Å; Y56-L81 HydrophobicContact CE1-CG 4.4Å; Y56-L81 HydrophobicContact CE2-CD1 3.78Å; Y56-L81 HydrophobicContact CG-CD1 3.94Å; Y56-L81 HydrophobicContact CG-CD2 4.35Å; L59-L81 HydrophobicContact CD2-CD2 3.5Å; L59-L81 VanDerWaalsContact CD2-CD2 3.5Å; T77-L81 PolarHBondContact O-N 3.31Å; R78-L81 WeakPolarHBondContact O-CB 3.29Å; R78-L81 PolarHBondContact O-N 3.28Å; D79-L81 PolarHBondContact O-N 2.98Å; L81-T83 VanDerWaalsContact C-N 3.31Å; L81-T83 PolarHBondContact O-N 3.17Å; L81-C84 WeakPolarHBondContact O-CB 3.44Å; L81-C84 PolarHBondContact O-N 3.44Å; L81-C84 VanDerWaalsContact O-N 3.16Å; L81-L85 HydrophobicContact CD1-CD1 4.17Å; L81-L85 HydrophobicContact CD1-CD2 4.34Å; L81-L85 HydrophobicContact CD1-CG 4.01Å; L81-L85 HydrophobicContact CG-CD1 4.01Å; L81-L85 HydrophobicContact CG-CG 4.27Å; L81-L85 VanDerWaalsContact O-CG 3.32Å; L81-L85 WeakPolarHBondContact O-CG 3.47Å; L81-L85 PolarHBondContact O-N 3.49Å
82N95.1Very high93.8Very high75 Ų7583.9 Ų83.940%0.40140%0.396SS..Hα-helixtrans-61.2-39.9179.7-73.5-25.7000111.7R78 D79 L85 L86R78-N82 WeakPolarHBondContact O-CB 3.36Å; R78-N82 VanDerWaalsContact O-CG 3.3Å; R78-N82 PolarHBondContact O-N 2.97Å; R78-N82 PolarHBondContact O-ND2 3.37Å; D79-N82 PolarHBondContact O-N 3.33Å; N82-L85 PolarHBondContact O-N 2.75Å; N82-L86 VanDerWaalsContact O-CB 3.26Å; N82-L86 WeakPolarHBondContact O-CB 3.02Å; N82-L86 PolarHBondContact O-N 3.03Å
83T95.9Very high94.2Very high99 Ų9980.4 Ų80.461%0.60739%0.392SS*.Hα-helixtrans-61.3-44.9174.1-62.10000111.3D79 T80 L81 L86 S87D79-T83 PolarHBondContact O-N 2.91Å; D79-T83 PolarHBondContact O-OG1 3.05Å; D79-T83 VanDerWaalsContact O-OG1 3.07Å; T80-T83 PolarHBondContact O-N 3.22Å; L81-T83 VanDerWaalsContact C-N 3.31Å; L81-T83 PolarHBondContact O-N 3.17Å; T83-L86 PolarHBondContact O-N 3.44Å; T83-S87 PolarHBondContact O-N 2.9Å
84C95.7Very high94.6Very high13 Ų1373.4 Ų73.49%0.08837%0.366CS..Hα-helixtrans-58.7-52.2174.1-179.80000111.1C52 E55 T80 L81 L86 S87 W88C52-C84 VanDerWaalsContact CA-SG 3.54Å; C52-C84 HydrophobicContact CB-CB 3.99Å; C52-C84 WeakPolarHBondContact CB-SG 3.31Å; C52-C84 WeakPolarHBondContact SG-CB 3.44Å; C52-C84 CovalentContact SG-SG 2.05Å; C52-C84 PolarHBondContact SG-SG 2.91Å; E55-C84 HydrophobicContact CG-CB 3.89Å; T80-C84 PolarHBondContact O-N 3.46Å; L81-C84 WeakPolarHBondContact O-CB 3.44Å; L81-C84 PolarHBondContact O-N 3.44Å; L81-C84 VanDerWaalsContact O-N 3.16Å; C84-L86 VanDerWaalsContact C-N 3.31Å; C84-L86 PolarHBondContact O-N 2.6Å; C84-S87 PolarHBondContact O-N 3.02Å; C84-S87 PolarHBondContact O-OG 3.1Å; C84-W88 VanDerWaalsContact O-CD1 3.29Å; C84-W88 PolarHBondContact O-N 2.97Å
85L94.4Very high94.7Very high43 Ų4375.3 Ų75.323%0.22538%0.377CS..Hα-helixtrans-57.7-43.9-179.4-66.7176.6000112V47 C52 Y56 L81 N82 W88 Y89V47-L85 HydrophobicContact CG1-CD2 3.56Å; C52-L85 HydrophobicContact CB-CD2 4.04Å; C52-L85 PolarHBondContact SG-N 3.12Å; Y56-L85 HydrophobicContact CE2-CD2 4.18Å; L81-L85 HydrophobicContact CD1-CD1 4.17Å; L81-L85 HydrophobicContact CD1-CD2 4.34Å; L81-L85 HydrophobicContact CD1-CG 4.01Å; L81-L85 HydrophobicContact CG-CD1 4.01Å; L81-L85 HydrophobicContact CG-CG 4.27Å; L81-L85 VanDerWaalsContact O-CG 3.32Å; L81-L85 WeakPolarHBondContact O-CG 3.47Å; L81-L85 PolarHBondContact O-N 3.49Å; N82-L85 PolarHBondContact O-N 2.75Å; L85-W88 PolarHBondContact O-N 3.3Å; L85-Y89 WeakPolarHBondContact O-CB 3.43Å; L85-Y89 PolarHBondContact O-N 2.96Å
86L93.7Very high94.9Very high99 Ų9976.3 Ų76.352%0.51839%0.386SS..Hα-helixtrans-65.4-39.3-178.3-160.569.2000112N82 T83 C84 W88 Y89 Y90N82-L86 VanDerWaalsContact O-CB 3.26Å; N82-L86 WeakPolarHBondContact O-CB 3.02Å; N82-L86 PolarHBondContact O-N 3.03Å; T83-L86 PolarHBondContact O-N 3.44Å; C84-L86 VanDerWaalsContact C-N 3.31Å; C84-L86 PolarHBondContact O-N 2.6Å; L86-W88 VanDerWaalsContact C-N 3.35Å; L86-W88 PolarHBondContact O-N 2.96Å; L86-Y89 PolarHBondContact O-N 3.44Å; L86-Y90 HydrophobicContact CD1-CD2 3.94Å; L86-Y90 HydrophobicContact CD1-CE2 3.37Å; L86-Y90 HydrophobicContact CG-CD2 3.95Å; L86-Y90 HydrophobicContact CG-CE2 3.83Å; L86-Y90 WeakPolarHBondContact O-CD2 3.24Å; L86-Y90 PolarHBondContact O-N 3.19Å
87S95Very high95.1Very high66 Ų6671.9 Ų71.946%0.46237%0.368SS..Hα-helixtrans-59.9-44.9179.169.50000111.9T83 C84 D91T83-S87 PolarHBondContact O-N 2.9Å; C84-S87 PolarHBondContact O-N 3.02Å; C84-S87 PolarHBondContact O-OG 3.1Å; S87-D91 PolarHBondContact O-N 3.02Å
88W95.2Very high95.3Very high73 Ų7370.5 Ų70.528%0.27736%0.359SS..Hα-helixtrans-79-26.2179.3-68.8104.5000113.7V47 K51 C84 L85 L86 Y90 F94V47-W88 HydrophobicContact CB-CB 4.34Å; V47-W88 HydrophobicContact CG1-CB 3.87Å; V47-W88 HydrophobicContact CG1-CG 4.37Å; V47-W88 HydrophobicContact CG2-CB 3.44Å; V47-W88 VanDerWaalsContact CG2-CB 3.44Å; V47-W88 HydrophobicContact CG2-CG 4.4Å; K51-W88 HydrophobicContact CB-CD2 4.12Å; K51-W88 HydrophobicContact CB-CG 4.01Å; K51-W88 HydrophobicContact CD-CD2 3.97Å; K51-W88 HydrophobicContact CD-CE3 4.13Å; K51-W88 HydrophobicContact CD-CH2 3.94Å; K51-W88 HydrophobicContact CD-CZ2 3.74Å; K51-W88 HydrophobicContact CD-CZ3 4.12Å; K51-W88 HydrophobicContact CG-CD2 3.77Å; K51-W88 HydrophobicContact CG-CE3 4.21Å; K51-W88 HydrophobicContact CG-CG 4.01Å; K51-W88 HydrophobicContact CG-CZ2 4.36Å; C84-W88 VanDerWaalsContact O-CD1 3.29Å; C84-W88 PolarHBondContact O-N 2.97Å; L85-W88 PolarHBondContact O-N 3.3Å; L86-W88 VanDerWaalsContact C-N 3.35Å; L86-W88 PolarHBondContact O-N 2.96Å; W88-Y90 VanDerWaalsContact C-N 3.31Å; W88-Y90 PolarHBondContact O-N 3.22Å; W88-F94 HydrophobicContact CE3-CB 4.35Å; W88-F94 HydrophobicContact CE3-CD2 4.46Å; W88-F94 HydrophobicContact CE3-CG 4.21Å
89Y92.2Very high95.4Very high77 Ų7766 Ų6630%0.30234%0.344SS..Hα-helixtrans-68.4-32.2178.8-174.4-99.3000112.7P40 V43 L85 L86 V95P40-Y89 HydrophobicContact CB-CE2 4.26Å; V43-Y89 HydrophobicContact CG1-CD2 4.01Å; L85-Y89 WeakPolarHBondContact O-CB 3.43Å; L85-Y89 PolarHBondContact O-N 2.96Å; L86-Y89 PolarHBondContact O-N 3.44Å; Y89-V95 WeakPolarHBondContact O-CG2 3.45Å
90Y92.2Very high95.5Very high162 Ų16265.9 Ų65.964%0.63535%0.345SS*.SBendtrans-103.54.5178.3-64.4-62.7000114L86 W88 P92L86-Y90 HydrophobicContact CD1-CD2 3.94Å; L86-Y90 HydrophobicContact CD1-CE2 3.37Å; L86-Y90 HydrophobicContact CG-CD2 3.95Å; L86-Y90 HydrophobicContact CG-CE2 3.83Å; L86-Y90 WeakPolarHBondContact O-CD2 3.24Å; L86-Y90 PolarHBondContact O-N 3.19Å; W88-Y90 VanDerWaalsContact C-N 3.31Å; W88-Y90 PolarHBondContact O-N 3.22Å; Y90-P92 VanDerWaalsContact O-CD 3.31Å; Y90-P92 WeakPolarHBondContact O-CD 3.39Å
91D95.9Very high95.5Very high47 Ų4764.4 Ų64.425%0.25133%0.334SS..  trans-66.5114.3175.2-175.9123.1000109.1S87 D93 F94 V95S87-D91 PolarHBondContact O-N 3.02Å; D91-D93 VanDerWaalsContact C-N 3.29Å; D91-D93 PolarHBondContact O-N 3.05Å; D91-D93 WeakPolarHBondContact OD2-CB 3.35Å; D91-D93 PolarHBondContact OD2-N 3.32Å; D91-F94 HydrophobicContact CB-CB 3.88Å; D91-F94 PolarHBondContact O-N 2.9Å; D91-F94 PolarHBondContact OD2-N 2.97Å; D91-V95 WeakPolarHBondContact O-CB 3.34Å; D91-V95 VanDerWaalsContact O-CG2 3.24Å; D91-V95 WeakPolarHBondContact O-CG2 3.39Å; D91-V95 PolarHBondContact O-N 3.25Å
92P95.7Very high95.5Very high97 Ų9765.3 Ų65.363%0.6334%0.337SS*.Hα-helixtrans-66.2-33.4-173.227-34.2000112.2Y90 Q96Y90-P92 VanDerWaalsContact O-CD 3.31Å; Y90-P92 WeakPolarHBondContact O-CD 3.39Å; P92-Q96 VanDerWaalsContact O-CB 3.24Å; P92-Q96 WeakPolarHBondContact O-CB 3.46Å; P92-Q96 PolarHBondContact O-N 3.32Å
93D96.7Very high95.6Very high128 Ų12863.1 Ų63.168%0.68433%0.325SS*.Hα-helixtrans-71.3-42.5-179.6-64.5-34.4000109.9D91 Q96 E97D91-D93 VanDerWaalsContact C-N 3.29Å; D91-D93 PolarHBondContact O-N 3.05Å; D91-D93 WeakPolarHBondContact OD2-CB 3.35Å; D91-D93 PolarHBondContact OD2-N 3.32Å; D93-Q96 PolarHBondContact O-N 2.82Å; D93-E97 WeakPolarHBondContact O-CB 3.23Å; D93-E97 PolarHBondContact O-N 2.69Å
94F96.5Very high95.5Very high4 Ų463.1 Ų63.12%0.01832%0.318CS..Hα-helixtrans-68.1-40.1177.7-169.9-111.5000112.8V43 R46 V47 W88 D91 Q96 E97 C98V43-F94 HydrophobicContact CG1-CD1 4Å; V43-F94 HydrophobicContact CG1-CE1 3.94Å; R46-F94 HydrophobicContact CB-CE1 4.35Å; R46-F94 HydrophobicContact CB-CZ 3.68Å; V47-F94 HydrophobicContact CG2-CD1 4.19Å; V47-F94 HydrophobicContact CG2-CE1 3.5Å; V47-F94 HydrophobicContact CG2-CZ 4.26Å; W88-F94 HydrophobicContact CE3-CB 4.35Å; W88-F94 HydrophobicContact CE3-CD2 4.46Å; W88-F94 HydrophobicContact CE3-CG 4.21Å; D91-F94 HydrophobicContact CB-CB 3.88Å; D91-F94 PolarHBondContact O-N 2.9Å; D91-F94 PolarHBondContact OD2-N 2.97Å; F94-Q96 VanDerWaalsContact C-N 3.31Å; F94-E97 PolarHBondContact O-N 2.8Å; F94-C98 PolarHBondContact O-N 2.71Å; F94-C98 PolarHBondContact O-SG 3.04Å
95V96.2Very high95.5Very high44 Ų4462.8 Ų62.827%0.26732%0.315SS..Hα-helixtrans-63.5-41174.1172.10000110.5I39 V43 Y89 D91 C98 T99I39-V95 HydrophobicContact CG2-CG1 4.31Å; V43-V95 HydrophobicContact CG2-CG2 4.15Å; Y89-V95 WeakPolarHBondContact O-CG2 3.45Å; D91-V95 WeakPolarHBondContact O-CB 3.34Å; D91-V95 VanDerWaalsContact O-CG2 3.24Å; D91-V95 WeakPolarHBondContact O-CG2 3.39Å; D91-V95 PolarHBondContact O-N 3.25Å; V95-C98 PolarHBondContact O-N 3.34Å; V95-T99 WeakPolarHBondContact O-CB 3.39Å; V95-T99 PolarHBondContact O-N 3.49Å; V95-T99 PolarHBondContact O-OG1 2.99Å
96Q97.1Very high95.5Very high116 Ų11661.5 Ų61.554%0.54231%0.307SS..Hα-helixtrans-65.9-42.2177.4-177.367.7-19.900111.7P92 D93 F94 C98 T99 V100P92-Q96 VanDerWaalsContact O-CB 3.24Å; P92-Q96 WeakPolarHBondContact O-CB 3.46Å; P92-Q96 PolarHBondContact O-N 3.32Å; D93-Q96 PolarHBondContact O-N 2.82Å; F94-Q96 VanDerWaalsContact C-N 3.31Å; Q96-C98 PolarHBondContact O-N 2.8Å; Q96-T99 WeakPolarHBondContact O-CB 3.46Å; Q96-T99 PolarHBondContact O-N 2.53Å; Q96-T99 VanDerWaalsContact O-N 3.12Å; Q96-V100 WeakPolarHBondContact O-CG2 3.5Å; Q96-V100 PolarHBondContact O-N 2.98Å
97E96.8Very high95.5Very high85 Ų8558.7 Ų58.740%0.39730%0.296SS..Hα-helixtrans-56-52.3173.8-170-166.2143.600110.9R46 D93 F94 T99 V100 E101R46-E97 IonicContact CZ-OE1 3.89Å; R46-E97 VanDerWaalsContact CZ-OE1 3.23Å; R46-E97 IonicContact NH1-OE1 2.84Å; R46-E97 PolarHBondContact NH1-OE1 3.38Å; R46-E97 IonicContact NH2-OE1 3.71Å; R46-E97 PolarHBondContact NH2-OE1 2.67Å; R46-E97 IonicContact NH2-OE2 2.69Å; D93-E97 WeakPolarHBondContact O-CB 3.23Å; D93-E97 PolarHBondContact O-N 2.69Å; F94-E97 PolarHBondContact O-N 2.8Å; E97-T99 PolarHBondContact O-N 3.15Å; E97-V100 PolarHBondContact O-N 2.87Å; E97-E101 WeakPolarHBondContact O-CG 3.45Å; E97-E101 PolarHBondContact O-N 2.73Å
98C96.5Very high95.4Very high0 Ų058.7 Ų58.70%029%0.288CS..Hα-helixtrans-59.9-32.4177.1-67.40000112.8V43 F94 V95 Q96 Y102V43-C98 HydrophobicContact CG2-CB 3.71Å; F94-C98 PolarHBondContact O-N 2.71Å; F94-C98 PolarHBondContact O-SG 3.04Å; V95-C98 PolarHBondContact O-N 3.34Å; Q96-C98 PolarHBondContact O-N 2.8Å; C98-Y102 WeakPolarHBondContact O-CB 3.11Å; C98-Y102 PolarHBondContact O-N 3.48Å
99T96.9Very high95.3Very high13 Ų1360.9 Ų60.98%0.0830%0.297CS..Hα-helixtrans-69.3-45.8177.6-620000111.3L30 I39 V95 Q96 E97 Y102 L103L30-T99 HydrophobicContact CD1-CG2 3.89Å; L30-T99 HydrophobicContact CD2-CG2 4.5Å; I39-T99 HydrophobicContact CD1-CG2 3.83Å; I39-T99 WeakPolarHBondContact CG2-OG1 3.36Å; V95-T99 WeakPolarHBondContact O-CB 3.39Å; V95-T99 PolarHBondContact O-N 3.49Å; V95-T99 PolarHBondContact O-OG1 2.99Å; Q96-T99 WeakPolarHBondContact O-CB 3.46Å; Q96-T99 PolarHBondContact O-N 2.53Å; Q96-T99 VanDerWaalsContact O-N 3.12Å; E97-T99 PolarHBondContact O-N 3.15Å; T99-Y102 WeakPolarHBondContact O-CB 2.89Å; T99-Y102 PolarHBondContact O-N 2.92Å; T99-L103 HydrophobicContact CG2-CD1 4.21Å; T99-L103 WeakPolarHBondContact O-CG 3.33Å; T99-L103 PolarHBondContact O-N 3.4Å
100V96.8Very high95.3Very high67 Ų6759.2 Ų59.241%0.40629%0.291SS..Hα-helixtrans-61.5-48.2176.4172.60000110.3Q96 E97 Y102 L103 E104Q96-V100 WeakPolarHBondContact O-CG2 3.5Å; Q96-V100 PolarHBondContact O-N 2.98Å; E97-V100 PolarHBondContact O-N 2.87Å; V100-Y102 VanDerWaalsContact C-N 3.27Å; V100-Y102 PolarHBondContact O-N 3.11Å; V100-L103 PolarHBondContact O-N 3.46Å; V100-L103 VanDerWaalsContact O-N 3.1Å; V100-E104 WeakPolarHBondContact O-CG 3.14Å; V100-E104 PolarHBondContact O-N 3.02Å
101E95.9Very high95.3Very high38 Ų3860.4 Ų60.418%0.17829%0.294CS..Hα-helixtrans-57.6-41.5176.3-67.1-170.1134.500112R46 E97 E104 D105 R118R46-E101 IonicContact CZ-OE2 3.23Å; R46-E101 IonicContact NE-OE2 2.71Å; R46-E101 VanDerWaalsContact NH1-CD 3.29Å; R46-E101 IonicContact NH1-OE1 3.71Å; R46-E101 IonicContact NH1-OE2 2.8Å; R46-E101 PolarHBondContact NH1-OE2 3.26Å; E97-E101 WeakPolarHBondContact O-CG 3.45Å; E97-E101 PolarHBondContact O-N 2.73Å; E101-E104 PolarHBondContact O-N 2.96Å; E101-D105 PolarHBondContact O-N 2.9Å; E101-R118 PolarHBondContact O-NH2 2.8Å; E101-R118 IonicContact OE1-NH1 3.56Å
102Y96Very high95.1Very high26 Ų2660.8 Ų60.810%0.10230%0.298CS..Hα-helixtrans-62-45.1175.6171.2-108.4000112.6L30 E34 V38 I39 C98 T99 V100 E104 D105 R106L30-Y102 HydrophobicContact CD2-CD1 4.1Å; L30-Y102 HydrophobicContact CD2-CE1 4.09Å; E34-Y102 HydrophobicContact CB-CE1 3.82Å; E34-Y102 HydrophobicContact CG-CE1 3.92Å; E34-Y102 WeakPolarHBondContact CG-OH 3.39Å; E34-Y102 PolarHBondContact OE1-OH 2.9Å; V38-Y102 HydrophobicContact CB-CE2 4.49Å; V38-Y102 HydrophobicContact CG1-CD2 3.75Å; V38-Y102 HydrophobicContact CG1-CE2 3.52Å; V38-Y102 HydrophobicContact CG1-CG 4.48Å; I39-Y102 HydrophobicContact CD1-CD1 4.28Å; I39-Y102 HydrophobicContact CG1-CD1 4.1Å; I39-Y102 HydrophobicContact CG1-CG 4.33Å; C98-Y102 WeakPolarHBondContact O-CB 3.11Å; C98-Y102 PolarHBondContact O-N 3.48Å; T99-Y102 WeakPolarHBondContact O-CB 2.89Å; T99-Y102 PolarHBondContact O-N 2.92Å; V100-Y102 VanDerWaalsContact C-N 3.27Å; V100-Y102 PolarHBondContact O-N 3.11Å; Y102-E104 VanDerWaalsContact C-N 3.34Å; Y102-E104 PolarHBondContact O-N 3.39Å; Y102-D105 PolarHBondContact O-N 3.32Å; Y102-R106 VanDerWaalsContact O-CB 3.28Å; Y102-R106 WeakPolarHBondContact O-CB 3.39Å; Y102-R106 PolarHBondContact O-N 2.91Å
103L95.8Very high94.8Very high28 Ų2858.1 Ų58.115%0.14729%0.288CS..Hα-helixtrans-64.1-39.7179.8-71.4173.6000111.7L28 L30 T99 V100 R106 S107L28-L103 HydrophobicContact CD2-CD1 4.31Å; L30-L103 HydrophobicContact CD2-CD2 3.87Å; L30-L103 HydrophobicContact CD2-CG 4.43Å; T99-L103 HydrophobicContact CG2-CD1 4.21Å; T99-L103 WeakPolarHBondContact O-CG 3.33Å; T99-L103 PolarHBondContact O-N 3.4Å; V100-L103 PolarHBondContact O-N 3.46Å; V100-L103 VanDerWaalsContact O-N 3.1Å; L103-R106 PolarHBondContact O-N 3.04Å; L103-S107 WeakPolarHBondContact O-CB 3.12Å; L103-S107 PolarHBondContact O-N 3.37Å
104E95.3Very high94.4Very high100 Ų10060.8 Ų60.847%0.46729%0.289SS..Hα-helixtrans-60.8-50173-69.3171.7165.700111.9V100 E101 Y102 R106 S107 E108 R118V100-E104 WeakPolarHBondContact O-CG 3.14Å; V100-E104 PolarHBondContact O-N 3.02Å; E101-E104 PolarHBondContact O-N 2.96Å; Y102-E104 VanDerWaalsContact C-N 3.34Å; Y102-E104 PolarHBondContact O-N 3.39Å; E104-R106 PolarHBondContact O-N 2.67Å; E104-S107 WeakPolarHBondContact O-CB 3.39Å; E104-S107 PolarHBondContact O-N 2.96Å; E104-E108 PolarHBondContact O-N 3.22Å; E104-R118 IonicContact OE2-CZ 3.98Å; E104-R118 IonicContact OE2-NH1 3.63Å; E104-R118 PolarHBondContact OE2-NH1 2.84Å; E104-R118 IonicContact OE2-NH2 2.63Å; E104-R118 PolarHBondContact OE2-NH2 2.82Å
105D95.1Very high94.1Very high6 Ų661.8 Ų61.83%0.03229%0.294CS..Hα-helixtrans-58.8-40.6177.8-74.9-24000111.2R42 E101 Y102 Y109 S116 R118 L119R42-D105 IonicContact CZ-OD2 3.66Å; R42-D105 VanDerWaalsContact CZ-OD2 3.23Å; R42-D105 IonicContact NH1-OD2 3.53Å; R42-D105 PolarHBondContact NH1-OD2 3.5Å; R42-D105 IonicContact NH2-OD2 3.67Å; R42-D105 PolarHBondContact NH2-OD2 3.36Å; E101-D105 PolarHBondContact O-N 2.9Å; Y102-D105 PolarHBondContact O-N 3.32Å; D105-Y109 WeakPolarHBondContact O-CB 3.19Å; D105-Y109 PolarHBondContact O-N 3.07Å; D105-S116 WeakPolarHBondContact OD1-CB 3.37Å; D105-S116 PolarHBondContact OD1-OG 3.37Å; D105-R118 IonicContact OD1-CZ 2.66Å; D105-R118 IonicContact OD1-NE 3.91Å; D105-R118 PolarHBondContact OD1-NE 2.66Å; D105-R118 IonicContact OD1-NH2 3.23Å; D105-R118 PolarHBondContact OD1-NH2 2.85Å; D105-R118 IonicContact OD2-NE 2.79Å; D105-R118 IonicContact OD2-NH2 3.6Å; D105-L119 HydrophobicContact CB-CD1 4.1Å
106R93.8Very high93.9Very high16 Ų1659.8 Ų59.86%0.0628%0.282CS..Hα-helixtrans-67-44.6178.9-174179.878.7168.8-3.1111.1D27 S29 E34 Y102 L103 E104 Y109 R110D27-R106 PolarHBondContact O-NH2 2.9Å; D27-R106 IonicContact OD2-NH2 2.84Å; S29-R106 VanDerWaalsContact O-CZ 3.3Å; S29-R106 PolarHBondContact O-NH1 3.39Å; S29-R106 PolarHBondContact O-NH2 3.44Å; E34-R106 WeakPolarHBondContact OE1-CD 3.46Å; E34-R106 IonicContact OE1-CZ 3.01Å; E34-R106 IonicContact OE1-NH1 3.35Å; E34-R106 PolarHBondContact OE1-NH1 2.99Å; E34-R106 IonicContact OE2-CZ 3.67Å; E34-R106 IonicContact OE2-NH1 3.75Å; E34-R106 PolarHBondContact OE2-NH1 3.14Å; Y102-R106 VanDerWaalsContact O-CB 3.28Å; Y102-R106 WeakPolarHBondContact O-CB 3.39Å; Y102-R106 PolarHBondContact O-N 2.91Å; L103-R106 PolarHBondContact O-N 3.04Å; E104-R106 PolarHBondContact O-N 2.67Å; R106-Y109 PolarHBondContact O-N 3.32Å; R106-R110 WeakPolarHBondContact O-CB 3.46Å; R106-R110 VanDerWaalsContact O-CG 3.31Å; R106-R110 WeakPolarHBondContact O-CG 3.34Å; R106-R110 PolarHBondContact O-N 2.89Å
107S94Very high93.6Very high39 Ų3959.7 Ų59.727%0.27328%0.281SS..Hα-helixtrans-59.6-47.3176.3-176.20000110.8P25 L103 E104 Y109 R110 R111P25-S107 WeakPolarHBondContact O-CB 3.42Å; P25-S107 PolarHBondContact O-OG 2.91Å; L103-S107 WeakPolarHBondContact O-CB 3.12Å; L103-S107 PolarHBondContact O-N 3.37Å; E104-S107 WeakPolarHBondContact O-CB 3.39Å; E104-S107 PolarHBondContact O-N 2.96Å; S107-Y109 PolarHBondContact O-N 2.78Å; S107-R110 PolarHBondContact O-N 3.34Å; S107-R111 WeakPolarHBondContact O-CB 3.28Å; S107-R111 PolarHBondContact O-N 2.76Å
108E93.6Very high93.4Very high66 Ų6658.8 Ų58.831%0.30827%0.274SS..Hα-helixtrans-63-42.8178.2-170.3179.6172.100112E104 R111 T112 S116E104-E108 PolarHBondContact O-N 3.22Å; E108-R111 PolarHBondContact O-N 2.88Å; E108-T112 HydrophobicContact CG-CG2 4.49Å; E108-T112 WeakPolarHBondContact O-CB 3.49Å; E108-T112 PolarHBondContact O-N 3.27Å; E108-T112 PolarHBondContact O-OG1 2.88Å; E108-S116 VanDerWaalsContact CD-CA 3.5Å; E108-S116 WeakPolarHBondContact OE2-CA 3.45Å; E108-S116 WeakPolarHBondContact OE2-CB 3.5Å
109Y93.2Very high93Very high119 Ų11960.6 Ų60.647%0.46728%0.284SS..Hα-helixtrans-64.3-41.3176.3-175.8-95.4000112.2D105 R106 S107 G113 R114D105-Y109 WeakPolarHBondContact O-CB 3.19Å; D105-Y109 PolarHBondContact O-N 3.07Å; R106-Y109 PolarHBondContact O-N 3.32Å; S107-Y109 PolarHBondContact O-N 2.78Å; Y109-G113 WeakPolarHBondContact O-CA 3.16Å; Y109-G113 PolarHBondContact O-N 3.36Å; Y109-R114 WeakPolarHBondContact CA-O 3.32Å; Y109-R114 WeakPolarHBondContact CD2-O 3.32Å
110R91.8Very high92.7Very high42 Ų4265.7 Ų65.716%0.15830%0.302CS..Hα-helixtrans-66.7-37.5175.8-73.3178.2-176179.23.9111.9D24 P25 D27 R106 S107D24-R110 WeakPolarHBondContact O-CD 3.31Å; D24-R110 PolarHBondContact O-NH1 2.04Å; P25-R110 HydrophobicContact CB-CB 4.21Å; P25-R110 HydrophobicContact CG-CB 4.13Å; D27-R110 IonicContact OD2-CZ 3.99Å; D27-R110 IonicContact OD2-NH1 3.42Å; D27-R110 PolarHBondContact OD2-NH1 2.88Å; D27-R110 IonicContact OD2-NH2 3.18Å; R106-R110 WeakPolarHBondContact O-CB 3.46Å; R106-R110 VanDerWaalsContact O-CG 3.31Å; R106-R110 WeakPolarHBondContact O-CG 3.34Å; R106-R110 PolarHBondContact O-N 2.89Å; S107-R110 PolarHBondContact O-N 3.34Å
111R91.1Very high92.3Very high188 Ų18869.7 Ų69.771%0.70931%0.313SS*.Hα-helixtrans-69.9-42.5178.2-171.4-177.975.2136.6-0.7113P25 S107 E108P25-R111 HydrophobicContact CB-CB 4.29Å; P25-R111 HydrophobicContact CG-CB 4.38Å; S107-R111 WeakPolarHBondContact O-CB 3.28Å; S107-R111 PolarHBondContact O-N 2.76Å; E108-R111 PolarHBondContact O-N 2.88Å
112T91.3Very high91.9Very high55 Ų5572.9 Ų72.934%0.33733%0.329SS..Hα-helixtrans-115-17.2-166.368.20000114.4E108 R114E108-T112 HydrophobicContact CG-CG2 4.49Å; E108-T112 WeakPolarHBondContact O-CB 3.49Å; E108-T112 PolarHBondContact O-N 3.27Å; E108-T112 PolarHBondContact O-OG1 2.88Å; T112-R114 PolarHBondContact O-N 3Å; T112-R114 WeakPolarHBondContact OG1-CB 3.46Å; T112-R114 PolarHBondContact OG1-N 3.28Å
113G89.5Confident91.4Very high41 Ų4175.6 Ų75.642%0.42334%0.343SS..SBendtrans69.28-168.100000114.2Y109Y109-G113 WeakPolarHBondContact O-CA 3.16Å; Y109-G113 PolarHBondContact O-N 3.36Å
114R89.7Confident90.9Very high183 Ų18375.8 Ų75.869%0.69135%0.352SS*.SBendtrans-113.4150.8-176.8-59.6180-176.8-131.21.7110.5Y109 T112Y109-R114 WeakPolarHBondContact CA-O 3.32Å; Y109-R114 WeakPolarHBondContact CD2-O 3.32Å; T112-R114 PolarHBondContact O-N 3Å; T112-R114 WeakPolarHBondContact OG1-CB 3.46Å; T112-R114 PolarHBondContact OG1-N 3.28Å
115M89.2Confident90.4Very high26 Ų2675 Ų7513%0.12836%0.362CS..  trans-66.9144.9170.6-73168.438.200110.3L119 R120 M123 F128M115-L119 HydrophobicContact CE-CB 4Å; M115-R120 HydrophobicContact CB-CG 4.12Å; M115-R120 HydrophobicContact CE-CG 4.15Å; M115-R120 WeakPolarHBondContact O-CD 3.33Å; M115-M123 HydrophobicContact CE-CG 4.38Å; M115-M123 HydrophobicContact CE-SD 3.47Å; M115-M123 WeakPolarHBondContact CE-SD 3.32Å; M115-M123 HydrophobicContact SD-SD 4.31Å; M115-F128 HydrophobicContact CB-CE2 4.41Å; M115-F128 HydrophobicContact CE-CD2 3.85Å; M115-F128 HydrophobicContact CE-CE2 4.21Å; M115-F128 HydrophobicContact SD-CD2 4.06Å; M115-F128 HydrophobicContact SD-CE2 4.07Å
116S92.3Very high89.9Confident2 Ų281.6 Ų81.61%0.01439%0.393CS..  trans-58.9154174.967.40000113D105 E108 R118 L119 R120D105-S116 WeakPolarHBondContact OD1-CB 3.37Å; D105-S116 PolarHBondContact OD1-OG 3.37Å; E108-S116 VanDerWaalsContact CD-CA 3.5Å; E108-S116 WeakPolarHBondContact OE2-CA 3.45Å; E108-S116 WeakPolarHBondContact OE2-CB 3.5Å; S116-R118 PolarHBondContact O-N 3.04Å; S116-L119 PolarHBondContact O-N 2.97Å; S116-L119 WeakPolarHBondContact OG-CG 3.37Å; S116-L119 PolarHBondContact OG-N 3.28Å; S116-R120 VanDerWaalsContact O-CG 3.29Å; S116-R120 WeakPolarHBondContact O-CG 3.46Å; S116-R120 PolarHBondContact O-N 2.93Å
117E91.5Very high89.6Confident114 Ų11482.5 Ų82.553%0.53340%0.404SS..Hα-helixtrans-57.7-38.6175.9-169.8-177.5165.900111.8R120 K121E117-R120 PolarHBondContact O-N 2.78Å; E117-K121 HydrophobicContact CG-CD 4.33Å; E117-K121 WeakPolarHBondContact O-CG 3.31Å; E117-K121 PolarHBondContact O-N 2.92Å; E117-K121 WeakPolarHBondContact OE1-CE 3.44Å; E117-K121 IonicContact OE1-NZ 3.44Å; E117-K121 PolarHBondContact OE1-NZ 2.84Å
118R91.2Very high89.3Confident65 Ų6582.6 Ų82.625%0.24540%0.399CS..Hα-helixtrans-55.6-53175177175.152.5-140.5-13.4111.5E101 E104 D105 S116 R120 K121 Q122E101-R118 PolarHBondContact O-NH2 2.8Å; E101-R118 IonicContact OE1-NH1 3.56Å; E104-R118 IonicContact OE2-CZ 3.98Å; E104-R118 IonicContact OE2-NH1 3.63Å; E104-R118 PolarHBondContact OE2-NH1 2.84Å; E104-R118 IonicContact OE2-NH2 2.63Å; E104-R118 PolarHBondContact OE2-NH2 2.82Å; D105-R118 IonicContact OD1-CZ 2.66Å; D105-R118 IonicContact OD1-NE 3.91Å; D105-R118 PolarHBondContact OD1-NE 2.66Å; D105-R118 IonicContact OD1-NH2 3.23Å; D105-R118 PolarHBondContact OD1-NH2 2.85Å; D105-R118 IonicContact OD2-NE 2.79Å; D105-R118 IonicContact OD2-NH2 3.6Å; S116-R118 PolarHBondContact O-N 3.04Å; R118-R120 VanDerWaalsContact C-N 3.34Å; R118-R120 PolarHBondContact O-N 3.42Å; R118-K121 PolarHBondContact O-N 3.3Å; R118-Q122 WeakPolarHBondContact O-CG 3.5Å; R118-Q122 PolarHBondContact O-N 2.63Å
119L90Very high89.1Confident39 Ų3984.3 Ų84.320%0.20441%0.407CS..Hα-helixtrans-66.1-36.9179.5-68.5176.2000112D105 M115 S116 K121 Q122 M123D105-L119 HydrophobicContact CB-CD1 4.1Å; M115-L119 HydrophobicContact CE-CB 4Å; S116-L119 PolarHBondContact O-N 2.97Å; S116-L119 WeakPolarHBondContact OG-CG 3.37Å; S116-L119 PolarHBondContact OG-N 3.28Å; L119-K121 VanDerWaalsContact C-N 3.33Å; L119-K121 PolarHBondContact O-N 3.36Å; L119-Q122 PolarHBondContact O-N 3.4Å; L119-M123 WeakPolarHBondContact O-CG 3.48Å; L119-M123 PolarHBondContact O-N 3.3Å
120R89.3Confident89Confident120 Ų12085.1 Ų85.145%0.45341%0.413SS..Hα-helixtrans-61.2-41.9175.6-70172.768.8-159.8-2.7111.8M115 S116 E117 R118 G124 F128M115-R120 HydrophobicContact CB-CG 4.12Å; M115-R120 HydrophobicContact CE-CG 4.15Å; M115-R120 WeakPolarHBondContact O-CD 3.33Å; S116-R120 VanDerWaalsContact O-CG 3.29Å; S116-R120 WeakPolarHBondContact O-CG 3.46Å; S116-R120 PolarHBondContact O-N 2.93Å; E117-R120 PolarHBondContact O-N 2.78Å; R118-R120 VanDerWaalsContact C-N 3.34Å; R118-R120 PolarHBondContact O-N 3.42Å; R120-G124 PolarHBondContact O-N 2.87Å; R120-F128 HydrophobicContact CG-CD2 3.89Å; R120-F128 HydrophobicContact CG-CE2 3.75Å; R120-F128 HydrophobicContact CG-CZ 4.34Å
121K89Confident88.9Confident150 Ų15085.7 Ų85.765%0.65242%0.419SS*.Hα-helixtrans-65.4-41.7175.2-73174.4-179.7168.20111.8E117 R118 L119 M123E117-K121 HydrophobicContact CG-CD 4.33Å; E117-K121 WeakPolarHBondContact O-CG 3.31Å; E117-K121 PolarHBondContact O-N 2.92Å; E117-K121 WeakPolarHBondContact OE1-CE 3.44Å; E117-K121 IonicContact OE1-NZ 3.44Å; E117-K121 PolarHBondContact OE1-NZ 2.84Å; R118-K121 PolarHBondContact O-N 3.3Å; L119-K121 VanDerWaalsContact C-N 3.33Å; L119-K121 PolarHBondContact O-N 3.36Å; K121-M123 PolarHBondContact O-N 3.33Å
122Q87.2Confident88.7Confident106 Ų10680.6 Ų80.650%0.49540%0.403SS..Hα-helixtrans-67.9-32.2-179.9-72.5178.5-4.300113.9R118 L119R118-Q122 WeakPolarHBondContact O-CG 3.5Å; R118-Q122 PolarHBondContact O-N 2.63Å; L119-Q122 PolarHBondContact O-N 3.4Å
123M85.5Confident88.6Confident83 Ų8383 Ų8341%0.40941%0.409SS..Hα-helixtrans-83.1-28.3-179.3-69.1-166.466.600113.9M115 L119 K121 A127 I131M115-M123 HydrophobicContact CE-CG 4.38Å; M115-M123 HydrophobicContact CE-SD 3.47Å; M115-M123 WeakPolarHBondContact CE-SD 3.32Å; M115-M123 HydrophobicContact SD-SD 4.31Å; L119-M123 WeakPolarHBondContact O-CG 3.48Å; L119-M123 PolarHBondContact O-N 3.3Å; K121-M123 PolarHBondContact O-N 3.33Å; M123-A127 HydrophobicContact CB-CB 4.22Å; M123-A127 HydrophobicContact CE-CB 4Å; M123-A127 VanDerWaalsContact O-CB 3.31Å; M123-A127 WeakPolarHBondContact O-CB 3.14Å; M123-I131 HydrophobicContact CE-CD1 3.25Å; M123-I131 HydrophobicContact SD-CD1 3.99Å
124G85.3Confident88.7Confident32 Ų3285.4 Ų85.433%0.3342%0.416SS..  trans80.1157.5-17100000113.5R120 E126 A127 F128R120-G124 PolarHBondContact O-N 2.87Å; G124-E126 PolarHBondContact O-N 2.92Å; G124-A127 PolarHBondContact O-N 2.84Å; G124-F128 PolarHBondContact O-N 2.83Å; G124-F128 VanDerWaalsContact O-N 3.16Å
125A84.2Confident88.6Confident83 Ų8379.6 Ų79.669%0.68640%0.395SS*.Hα-helixtrans-61.6-42.5-170.300000113.3F128 E129A125-F128 PolarHBondContact O-N 3.42Å; A125-E129 WeakPolarHBondContact O-CB 3.23Å; A125-E129 PolarHBondContact O-N 2.7Å
126E84.5Confident88.5Confident144 Ų14480.7 Ų80.767%0.67341%0.409SS*.Hα-helixtrans-65.4-43.2-178.1-60.8-174.6165.400112.6G124 F128 E129 K130G124-E126 PolarHBondContact O-N 2.92Å; E126-F128 VanDerWaalsContact C-N 3.34Å; E126-E129 PolarHBondContact O-N 2.59Å; E126-K130 VanDerWaalsContact O-CG 3.31Å; E126-K130 WeakPolarHBondContact O-CG 3.46Å; E126-K130 PolarHBondContact O-N 3.39Å
127A88.8Confident88.4Confident35 Ų3589.4 Ų89.429%0.28944%0.441SS..Hα-helixtrans-65.8-40.9178.600000110.8M123 G124 K130 I131M123-A127 HydrophobicContact CB-CB 4.22Å; M123-A127 HydrophobicContact CE-CB 4Å; M123-A127 VanDerWaalsContact O-CB 3.31Å; M123-A127 WeakPolarHBondContact O-CB 3.14Å; G124-A127 PolarHBondContact O-N 2.84Å; A127-K130 PolarHBondContact O-N 3.03Å; A127-I131 WeakPolarHBondContact O-CG1 3.45Å; A127-I131 PolarHBondContact O-N 3.18Å; A127-I131 VanDerWaalsContact O-N 3.17Å
128F88.1Confident88.1Confident41 Ų4187 Ų8718%0.1844%0.441CS..Hα-helixtrans-62.8-46.3175.3-176.9-103.1000112.1M115 R120 G124 A125 E126 K130 I131 E132M115-F128 HydrophobicContact CB-CE2 4.41Å; M115-F128 HydrophobicContact CE-CD2 3.85Å; M115-F128 HydrophobicContact CE-CE2 4.21Å; M115-F128 HydrophobicContact SD-CD2 4.06Å; M115-F128 HydrophobicContact SD-CE2 4.07Å; R120-F128 HydrophobicContact CG-CD2 3.89Å; R120-F128 HydrophobicContact CG-CE2 3.75Å; R120-F128 HydrophobicContact CG-CZ 4.34Å; G124-F128 PolarHBondContact O-N 2.83Å; G124-F128 VanDerWaalsContact O-N 3.16Å; A125-F128 PolarHBondContact O-N 3.42Å; E126-F128 VanDerWaalsContact C-N 3.34Å; F128-K130 VanDerWaalsContact C-N 3.32Å; F128-K130 PolarHBondContact O-N 3.36Å; F128-I131 PolarHBondContact O-N 3.33Å; F128-I131 VanDerWaalsContact O-N 3.15Å; F128-E132 HydrophobicContact CD1-CG 4.21Å; F128-E132 HydrophobicContact CE1-CG 3.72Å; F128-E132 HydrophobicContact CE2-CG 4.14Å; F128-E132 HydrophobicContact CZ-CG 3.67Å; F128-E132 PolarHBondContact O-N 3.38Å
129E88.3Confident87.8Confident102 Ų10293.8 Ų93.848%0.47747%0.466SS..Hα-helixtrans-61-40.5178.6-170.5-173.117700112A125 E126 I131 E132 K133A125-E129 WeakPolarHBondContact O-CB 3.23Å; A125-E129 PolarHBondContact O-N 2.7Å; E126-E129 PolarHBondContact O-N 2.59Å; E129-I131 VanDerWaalsContact C-N 3.33Å; E129-I131 PolarHBondContact O-N 3.2Å; E129-E132 PolarHBondContact O-N 2.92Å; E129-K133 HydrophobicContact CG-CD 4.22Å; E129-K133 WeakPolarHBondContact O-CB 3.39Å; E129-K133 WeakPolarHBondContact O-CG 3.19Å; E129-K133 PolarHBondContact O-N 3.24Å; E129-K133 WeakPolarHBondContact OE1-CE 3.24Å; E129-K133 IonicContact OE1-NZ 3.71Å; E129-K133 PolarHBondContact OE1-NZ 2.91Å
130K92.2Very high87.3Confident137 Ų137100.9 Ų100.960%0.59650%0.496SS*.Hα-helixtrans-60.9-41.8175.3-74172.3-174.7172.20111.6E126 A127 F128 T134E126-K130 VanDerWaalsContact O-CG 3.31Å; E126-K130 WeakPolarHBondContact O-CG 3.46Å; E126-K130 PolarHBondContact O-N 3.39Å; A127-K130 PolarHBondContact O-N 3.03Å; F128-K130 VanDerWaalsContact C-N 3.32Å; F128-K130 PolarHBondContact O-N 3.36Å; K130-T134 WeakPolarHBondContact O-CB 3.42Å; K130-T134 PolarHBondContact O-N 3.29Å; K130-T134 PolarHBondContact O-OG1 2.86Å
131I87.9Confident86.3Confident54 Ų54106.8 Ų106.828%0.27753%0.525SS..Hα-helixtrans-65.3-47.8177.6-71.2174.2000111.1M123 A127 F128 E129 K133 T134 K135M123-I131 HydrophobicContact CE-CD1 3.25Å; M123-I131 HydrophobicContact SD-CD1 3.99Å; A127-I131 WeakPolarHBondContact O-CG1 3.45Å; A127-I131 PolarHBondContact O-N 3.18Å; A127-I131 VanDerWaalsContact O-N 3.17Å; F128-I131 PolarHBondContact O-N 3.33Å; F128-I131 VanDerWaalsContact O-N 3.15Å; E129-I131 VanDerWaalsContact C-N 3.33Å; E129-I131 PolarHBondContact O-N 3.2Å; I131-K133 PolarHBondContact O-N 2.77Å; I131-T134 WeakPolarHBondContact O-CB 3.45Å; I131-T134 PolarHBondContact O-N 2.85Å; I131-T134 VanDerWaalsContact O-N 3.11Å; I131-K135 HydrophobicContact CG2-CD 4.17Å; I131-K135 HydrophobicContact CG2-CG 4.45Å; I131-K135 WeakPolarHBondContact O-CG 3.43Å; I131-K135 PolarHBondContact O-N 3.21Å
132E87.7Confident86.2Confident80 Ų80104.7 Ų104.737%0.37452%0.518SS..Hα-helixtrans-63.9-41.8-179.8-70.9-63.1108.800111.6F128 E129 T134 K135 A136F128-E132 HydrophobicContact CD1-CG 4.21Å; F128-E132 HydrophobicContact CE1-CG 3.72Å; F128-E132 HydrophobicContact CE2-CG 4.14Å; F128-E132 HydrophobicContact CZ-CG 3.67Å; F128-E132 PolarHBondContact O-N 3.38Å; E129-E132 PolarHBondContact O-N 2.92Å; E132-T134 VanDerWaalsContact C-N 3.27Å; E132-T134 PolarHBondContact O-N 3.19Å; E132-K135 PolarHBondContact O-N 2.77Å; E132-K135 IonicContact OE1-NZ 2.83Å; E132-A136 VanDerWaalsContact O-CB 3.32Å; E132-A136 WeakPolarHBondContact O-CB 3.49Å; E132-A136 PolarHBondContact O-N 2.82Å
133K89.5Confident86.1Confident105 Ų105104.6 Ų104.646%0.45752%0.52SS..Hα-helixtrans-59.5-39.2172.2-76177.4-178.9170.40111.8E129 I131 R137E129-K133 HydrophobicContact CG-CD 4.22Å; E129-K133 WeakPolarHBondContact O-CB 3.39Å; E129-K133 WeakPolarHBondContact O-CG 3.19Å; E129-K133 PolarHBondContact O-N 3.24Å; E129-K133 WeakPolarHBondContact OE1-CE 3.24Å; E129-K133 IonicContact OE1-NZ 3.71Å; E129-K133 PolarHBondContact OE1-NZ 2.91Å; I131-K133 PolarHBondContact O-N 2.77Å; K133-R137 VanDerWaalsContact O-CG 3.23Å; K133-R137 WeakPolarHBondContact O-CG 3.22Å; K133-R137 PolarHBondContact O-N 3.04Å
134T91.6Very high86.2Confident92 Ų92105.8 Ų105.856%0.56453%0.526SS*.Hα-helixtrans-69.1-44.8179.4-57.90000111.4K130 I131 E132 R137 A138K130-T134 WeakPolarHBondContact O-CB 3.42Å; K130-T134 PolarHBondContact O-N 3.29Å; K130-T134 PolarHBondContact O-OG1 2.86Å; I131-T134 WeakPolarHBondContact O-CB 3.45Å; I131-T134 PolarHBondContact O-N 2.85Å; I131-T134 VanDerWaalsContact O-N 3.11Å; E132-T134 VanDerWaalsContact C-N 3.27Å; E132-T134 PolarHBondContact O-N 3.19Å; T134-R137 PolarHBondContact O-N 2.66Å; T134-A138 PolarHBondContact O-N 3.14Å
135K86.7Confident86.2Confident61 Ų61110.1 Ų110.127%0.26554%0.537SS..Hα-helixtrans-61.8-43.4174.4-72178.6-177.7172.10111.8I131 E132 R137 A138 R139I131-K135 HydrophobicContact CG2-CD 4.17Å; I131-K135 HydrophobicContact CG2-CG 4.45Å; I131-K135 WeakPolarHBondContact O-CG 3.43Å; I131-K135 PolarHBondContact O-N 3.21Å; E132-K135 PolarHBondContact O-N 2.77Å; E132-K135 IonicContact OE1-NZ 2.83Å; K135-R137 VanDerWaalsContact C-N 3.3Å; K135-R137 PolarHBondContact O-N 3.03Å; K135-A138 PolarHBondContact O-N 2.91Å; K135-R139 WeakPolarHBondContact O-CG 3.38Å; K135-R139 PolarHBondContact O-N 3.15Å
136A86.9Confident86.4Confident50 Ų50111.8 Ų111.841%0.41353%0.528SS..Hα-helixtrans-62.6-37.2177.300000112.2E132E132-A136 VanDerWaalsContact O-CB 3.32Å; E132-A136 WeakPolarHBondContact O-CB 3.49Å; E132-A136 PolarHBondContact O-N 2.82Å
137R90.2Very high86.5Confident184 Ų184109.7 Ų109.769%0.69452%0.518SS*.Hα-helixtrans-66.6-40173-73171-177.4-160.50.2112.2K133 T134 K135 K140K133-R137 VanDerWaalsContact O-CG 3.23Å; K133-R137 WeakPolarHBondContact O-CG 3.22Å; K133-R137 PolarHBondContact O-N 3.04Å; T134-R137 PolarHBondContact O-N 2.66Å; K135-R137 VanDerWaalsContact C-N 3.3Å; K135-R137 PolarHBondContact O-N 3.03Å; R137-K140 PolarHBondContact O-N 3.21Å
138A87.2Confident86.3Confident63 Ų63115 Ų11552%0.52154%0.535SS..Hα-helixtrans-66.5-34.8178.100000112.8T134 K135 K140 K141T134-A138 PolarHBondContact O-N 3.14Å; K135-A138 PolarHBondContact O-N 2.91Å; A138-K140 VanDerWaalsContact C-N 3.25Å; A138-K140 PolarHBondContact O-N 2.99Å; A138-K141 PolarHBondContact O-N 2.91Å
139R83.4Confident86.2Confident208 Ų208120.7 Ų120.779%0.78556%0.562SS**THydrogen-bonded Turntrans-69.5-17.8176.4-70178.9-175.1-1591.8114.5K135K135-R139 WeakPolarHBondContact O-CG 3.38Å; K135-R139 PolarHBondContact O-N 3.15Å
140K80.9Confident86Confident189 Ų189122.3 Ų122.382%0.82257%0.569SS**THydrogen-bonded Turntrans-89.4-5.3178.8-71.6-178177.8-171.90113.3R137 A138R137-K140 PolarHBondContact O-N 3.21Å; A138-K140 VanDerWaalsContact C-N 3.25Å; A138-K140 PolarHBondContact O-N 2.99Å
141K68Low85.4Confident244 Ų244120.9 Ų120.9100%1.06157%0.567SS**  trans-99.50174.7-67.8-172.8175.8-1720109.5A138A138-K141 PolarHBondContact O-N 2.91Å

Retrieved 141 of 141 residues in 282 ms (Link to these results)